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Subject: Chemistry
,
Working Paper
, Title:

Synergistically Teaching Computational and Experimental Approaches to Study Biocatalysis: Kinetic Resolution of Racemic Citronellol with Lipase

, Authors: Tu Minh Ho, Sarah Walker, Francis Yoshimoto
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-whlm1
 
Subject: Chemistry
,
Working Paper
, Title:

A Family of Co(II) Complexes Exhibiting Record Dissymmetry Factors in Vibrational Circular Dichroism

, Authors: Gianmarco Papi, Massimo Guelfi, Alessio Bagnasco, Fabio Marchetti, Gennaro Pescitelli
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-pf79n
 
Subject: Chemistry
,
Working Paper
, Title:

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2

, Authors: Oleksandra Herasymenko, Madhushika Silva, Galen J. Correy, Abd Al-Aziz A. Abu-Saleh, Suzanne Ackloo, Cheryl Arrowsmith, Fuqiang Ban, Hartmut Beck, Kevin P. Bishop, Hugo J. Bohórquez, Albina Bolotokova, Marko Breznik, Irene Chau, Yu Chen, Artem Cherkasov, Wim Dehaen, Dennis Della Corte, Katrin Denzinger, Kristina Edfeldt, Aled Edwards, Darren Fayne, Francesco Gentile, Elisa Gibson, Ozan Gokdemir, John J. Irwin, Anders Gunnarsson, Judith Günther, Jan Halborg Jensen, Rachel J Harding, Alexander Hillisch, Laurent Hoffer, Anders Hogner, Ashley Hutchinson, Shubhangi Kandwal, Andrea Karlova, Dima Kozakov, Juyong Lee, Soowon Lee, Uta Lessel, Sijie Liu, Xuefeng Liu, Peter Loppnau, Jens Meiler, Rocco Moretti, Yurii S. Moroz, Charuvaka Muvva, Tudor I. Oprea, Brooks Paige, Amit Pandit, Keunwan Park, Gennady Poda, Mykola V. Protopopov, Vera Pütter, Rahul Ravichandran, Didier Rognan, Edina Rosta, Yogesh Sabnis, Thomas Scott, Almagul Seitova, Purshotam Sharma, François Sindt, Minghu Song, Casper Steinmann, Rick Stevens, Valerij Talagayev, Valentyna V. Tararina, Olga Tarkhanova, Damon Tingey, John Trant, Dakota Treleaven, Alexander Tropsha, Patrick Walters, Jude Wells, Yvonne Westermaier, Gerhard Wolber, Lars Wortmann, Shuangjia Zheng, James S. Fraser, Matthieu Schapira
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-d1v7v
 
Subject: Chemistry
,
Working Paper
, Title:

Three Wrongs Can Make a Right: Concealing Antiaromaticity in π-Expanded [4n]–[4n]–[4n] Frameworks

, Authors: Muhammad Usama Gul Khan, Katarzyna Młodzikowska-Pieńko, Renana Gershoni-Poranne, Judy I. Wu
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-cjbft
 
Subject: Chemistry
,
Working Paper
, Title:

On-resin Pictet-Spengler Cyclisation for 1,2,3,4-Tetrahydro-β-carboline-3-carboxylate (Tcc) Peptide Synthesis with Acid Labile Functional Tolerance

, Authors: Omer Sayane Landry N'dri, Charity D. Yongo-Luwawa, Xiaozheng Wei, Kajumee Bora Bhowal, Chitra P. Sadanandhan, Darince Truong, Ida Boccino, Will Maclean, Lylia Dif-Yaiche, Zoé Villeneuve, William D. Lubell
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-j5dmz
 
Subject: Chemistry
,
Working Paper
, Title:

Late-Stage C(sp³)–H Functionalization of Bioactive Piperazines

, Authors: Masayuki Wasa, Soichiro Mori, Cunyuan Zhao, Yuankai Wang, Nathan Jackson
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-xb7h2
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling Localized Plasmonic Activation comparing Photochemically and Thermally Initiated Polymerization

, Authors: Amine Khitous, Céline Molinaro, Marlo Vega, Stephania Abdallah, Jean-Pierre Malval, Sylvie Marguet, Jean-François Bryche, Olivier Soppera
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2024-db2mp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Analytic Rate Theory of Polariton Relaxation that Explains Long Polariton Lifetime

, Authors: Yifan Lai, Wenxiang Ying, Todd Krauss, Pengfei Huo
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-k4bzn
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical and Thermal Concerted 1,3-Sigmatropic Rearrangements of a π-Extended Methylenecyclopropane

, Authors: Shunsuke Konrai, Ma-aya Takano, Manabu Abe, Hiroyasu Sato, Ryohei Kishi, Takashi Kubo, Tomohiko Nishiuchi
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-m4pbn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Scalable H2-redox-mediated direct air capture powered by renewable electricity

, Authors: Lin Shi, Teng Wang, Justin Z. Harrington, Marco Colin Martinez, Yun Zhao, Brian P. Setzler, Yushan Yan
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-k2cxs
 
Subject: Chemistry
,
Working Paper
, Title:

Environmental and Quality Monitoring Through Pharmaceutical Analysis: A Quantitative Assay of Acetylsalicylic Acid Content in Commercial Aspirin Tablets Available in Pharmacies of Kalar City/Iraq

, Authors: Abdulla Sabir, Omar Abdulla, Renaz Maulwd, Shna Fadhil, Hayder Mohammed Issa
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-fvc26
 
Subject: Chemistry
,
Review
, Title:

Empowering Urban Skies: Energy Storage Solutions with Batteries, Fuel Cells, and Supercapacitors for Advanced Air Mobility and Air Taxi Systems

, Authors: Ashish Garg, Bhargav Akkinepally, Dineshkumar Harursampath, Jaesool Shim
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-wcbc5
 
Subject: Chemistry
,
Working Paper
, Title:

High-Temperature Compensated Ferrimagnetism in the Molecular Framework Cr(pyrazine)3

, Authors: Frédéric Aribot, Maja Dunstan, Nathan Yutronkie, Mariusz Kubus, Luis Moises Leyva-Parra, Anton Viborg, Susanne Mossin, Fabrice Wilhelm, Vivian Nassif, Dawid Pinkowicz, Jesper Bendix, Sebastian Reyes-Lillo, Andrei Rogalev, Kasper Steen Pedersen
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-rx54h
 
Subject: Chemistry
,
Working Paper
, Title:

The Heterogeneity Principle: Interaction Diversity as the Primary Driver of Supramolecular Stability

, Authors: Prasanna Kulkarni
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-h57gq
 
Subject: Chemistry
,
Working Paper
, Title:

LLM-Based AI Agents for Automated Data Extraction of Material Properties and Structural Features

, Authors: Subham Ghosh, Abhishek Tewari
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-4h5k9
 
Subject: Chemistry
,
Working Paper
, Title:

Nanostructuring Copper Tungstate Photoanodes: Performance Enhancement and Fundamental Limitations

, Authors: Oliver Mendoza Reyes, Dariusz Mitoraj, Radim Beranek
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-rd23r
 
Subject: Chemistry
,
Working Paper
, Title:

MOSES: combining automated ontology construction with a multi-agent system for explainable chemical knowledge reasoning

, Authors: Yingkai Sun, Feiyang Xu, Huadong Liang, Xianghui Fan, Guozhu Wan, Wenwan Zhong, Jun Jiang, Xin Li, Linjiang Chen
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-4nj4f
 
Subject: Chemistry
,
Working Paper
, Title:

Perfluorosulfonic Acid Membrane with Engineered Ionic Cluster Channels and Pore-Filling Structure for Efficient Alkaline Water Electrolysis

, Authors: Sreekanth Narayanaru, Shoji Miyanishi, Hidenori Kuroki, AnilKumar M Gopinathan, Takeo Yamaguchi
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-crz45
 
Subject: Chemistry
,
Working Paper
, Title:

Triplet nitrene-mediated photocatalytic azidation of tertiary C(sp³)–H bonds

, Authors: Noriaki Shimamoto, Norihito Arichi, Hiroaki Ohno
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-87kmx
 
Subject: Chemistry
,
Working Paper
, Title:

Assessment of Grouped-Bath Configuration Interaction (GBCI) for Transition-Metal Complexes by L-edge X-Ray Spectra Calculations

, Authors: Jiseong Park, Seunghoon Lee
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-xvxn7
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning based thermodynamic modelling of acid gas absorption in aqueous MDEA and aqueous Piperazine

, Authors: Kyrylo Klimenko, Rui Afonso, Paolo Stringari, Karen Gonzalez Tovar, Gilles Marcou, Dragos Horvath, Eric Cloarec, Alexandre Varnek, Frédérick de Meyer
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-m9m8t
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Enabled Discovery of Ionic Liquid-Solvent Electrolytes Exhibiting High Ionic Conductivity

, Authors: Masrur Ahmed, Jindal Shah
Version undefined posted 01 October 2025
Posted
Oct 01, 2025
10.26434/chemrxiv-2025-mws05
 
Subject: Chemistry
,
Working Paper
, Title:

Connecting ultrafast molecular dynamics with real-time heat transfer and fluid mechanics: application to hexane, o-dichlorobenzene, and their equimolar mixture

, Authors: Alexandre Honorato, Mauro Baesso, Luís Malacarne, Debabrata Goswami, RENE NOME
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-dkxnq
 
Subject: Chemistry
,
Working Paper
, Title:

Additives Promote Divergent Reactivity in Photolytic Deoxygenation and Lactonization Reactions of Cobalt Alkoxycarbonyls

, Authors: Jacob Hackbarth, Dana Chambers, Cory Ludwig, Tyler Brown, David Martin
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-4dcs8
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Temperature-Induced Shape Transition of Pt Nanoparticles Supported on Al2O3

, Authors: Ricardo Pool-Mazun, Salman Khan, Vinson Liao, Thomas Hansen, MD RAIAN YOUSUF, Piaoping Yang, Abhijit Shrotri, Adam Hoffman, Simon Bare, Dionisios Vlachos, Ayman Karim
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-6k39h
 
Subject: Chemistry
,
Working Paper
, Title:

Activation Energies Reveal Unusual Temperature Sensitivity in Mechanochemical Reactions

, Authors: Carolina Spula, Lars Beißel, Christoph Balk, Martin Etter, Lars Borchardt, Sven Grätz
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-lbwb9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Computational Framework for the Design and Development of Isoform Selective PI3Kα inhibitors as Novel Anticancer Agents

, Authors: Milan Jovanović, Teodora Djikic-Stojsic, Katarina Nikolic
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-5kh41-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Photoswitchable Latrunculin B Enables Reversible Control of Actin Polymerization and Cell Migration

, Authors: Antoine Gamet, Ismaila Ciss, Arthur Courtois, Benjamin Joyeux, Alexis M. Gautreau, Stéphane Romero, Christophe Le Clainche, Bastien Nay
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-1grsk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pharmacophore model guided 3D molecular generation through diffusion model

, Authors: Bohao Li, Ting Ran, Yuedong Yang, Mingyuan Xu, HongMing Chen
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-314kz
 
Subject: Chemistry
,
Working Paper
, Title:

Composition-Dependent Structure and Dynamics of Lithium-Sulfur Battery Electrolytes Revealed by Molecular Dynamics Simulations

, Authors: Yuki Ito, Yusuke Yasuda, Yukako Konishi, Taiki Shiba, Kaoru Dokko, Kazushi FUJIMOTO
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-1gkf0
 
Subject: Chemistry
,
Working Paper
, Title:

Viscosity Calculations of Liquids Modeled with Induced Polarizable Force Fields

, Authors: Daniel Relix, Hedieh Torabifard
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-n1rqb
 
Subject: Chemistry
,
Working Paper
, Title:

SMARTS-RX: A SMARTS-Based Representation of Chemical Functions for reactivity analysis

, Authors: Thierry Kogej, Christos Kannas, Samuel Genheden, Eike Caldeweyher, Mikhail Kabeshov
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-gw23n
 
Subject: Chemistry
,
Working Paper
, Title:

Electrical junction at substrate-Fe3O4 nanoparticles interface governs oxygen evolution reaction activity

, Authors: Nhu-Quynh Thi Phan, Aref Mamakhel, Anders Bæk Borup, Andreas Dueholm Bertelsen, Magnus Nørgaard Kløve, Bo Brummerstedt Iversen
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-mcb7m
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Organocatalytic Desymmetric Acylation as an Access to Orthogonally Protected myo-Inositols

, Authors: Ondřej Hladík, Vojtěch Dočekal, Ivana Císařová, Jan Veselý
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-dsx2l
 
Subject: Chemistry
,
Working Paper
, Title:

DNA-based Transmembrane Receptor-mediated Contact-dependent Signal Transduction between Artificial Cells

, Authors: Seaim Lwin Aye, Yusuke Sato
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-f512m
 
Subject: Chemistry
,
Working Paper
, Title:

FAME 3R: A Fast, Compact, Flexible, and Practical Re-Design of the FAME 3 Model for Predicting Sites of Metabolism

, Authors: Roxane Axel Jacob, Leo Gaskin, Thomas Seidel, Ya Chen, Angelica Mazzolari, Johannes Kirchmair
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-1vnp0
 
Subject: Chemistry
,
Working Paper
, Title:

A Fresh Perspective on Accelerated Degradation Studies for Proton Exchange Membranes

, Authors: Robert Rameker, Jean-Pierre Poc, Sven Jovanovic, Junbeom Park, Christina Oeß, Jialiang Liu, Sebastian Speer, Lukas Rein, Kristina Froehlich, Davis Thomas Daniel, Anna Windmüller, Hans Kungl, Shibabrata Basak, Eva Jodat, André Karl, Josef Granwehr, Rüdiger-A. Eichel
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-jl5l1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Effects of Solvent Steric Bulk on Lanthanide Solvates from Experiment and Theory

, Authors: Nicolaj Kofod, Villads R. M. Nielsen, Tobias M. Nielsen, Thomas Just Sørensen, Meagan S. Oakley, Kirsten M. Ø. Jensen, Nicholas F. Chilton
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-cmqmg
 
Subject: Chemistry
,
Working Paper
, Title:

Under the sea (ice): Concentration, composition, and bioavailability of dissolved organic carbon

, Authors: Krista Longnecker, Gretchen Swarr
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-w0dmz
 
Subject: Chemistry
,
Working Paper
, Title:

Cross Carbonyl-Olefin Metathesis (XCOM) of Unactivated Olefins

, Authors: Jason Wu, Moises Vargas-Penalver, Tristan Lambert
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-hb5l1
 
Subject: Chemistry
,
Review
, Title:

A Unified Mechanism of +1 Ribosomal Frameshifting

, Authors: Ivan Sorokin, Andrei Korostelev
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-p339z
 
Subject: Chemistry
,
Working Paper
, Title:

Subcellular Aggregation of Photosensitizers Overrides ROS Generation in PDT Effects

, Authors: Xinyan Lyu, Siyuan Wang, Ziyue Ye, Zhuojian Li, Ryan Tsz Kin Kwok, Kun Zhou, Zheng Zhao, Ben Zhong Tang
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-1p2wh
 
Subject: Chemistry
,
Working Paper
, Title:

A mechanochemical Kolbe-Schmitt reaction: Carboxylation of catechol providing building blocks for renewable plasticizers

, Authors: Dries De Vos, Victoria S. Pfennig, Arno Goddé, Robby Vroemans, Tobias Krückel, Nicole Marcinkowska, Ettore Bartalucci, Thomas Wiegand, Carsten Bolm, Bert U.W. Maes
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-5j687
 
Subject: Chemistry
,
Working Paper
, Title:

Development of next-generation ALDH1B1 inhibitors with enhanced pharmacological and functional properties

, Authors: Ahit Kaan Tarhan, Zhiping Feng, Daniel Fernandez, Audrey Kim, Thomas Bearrood, Andrew Hinman, Nicholas White, James Chen
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-9cq5c
 
Subject: Mathematics
,
Working Paper
, Title:

The Samhita Calculus & Framework

, Authors: Udo Granops
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-5hd5m
 
Subject: Economics
,
Working Paper
, Title:

A Multi-Modal Cross-Domain Signal Integration for Financial Time-Series Forecasting

, Authors: Aayush Chebolu, Kavin Murugesan, Christian Polilen
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-66493
 
Subject: Law
,
Working Paper
, Title:

How the regulation of Whistleblowers affects the incentives of market players to achieve efficiency

, Authors: Magda Ositashvili
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-mbhsl
 
Subject: Computer Science
,
Working Paper
, Title:

Leveraging 2D Motion Priors and Text-Speech Guidance for Enhanced 3D Human Motion Generation: A CLaM-Evaluated Framework

, Authors: Suhbatur Odu, Tergel Soyol
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-dgsvr
 
Subject: Engineering
,
Working Paper
, Title:

Enabling industrial decarbonization through data-metrics guided interpretable machine learning

, Authors: Waqar Muhammad Ashraf, Vivek Dua, Ramit Debnath
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2024-3r5v0-v2
 
Subject: Engineering
,
Working Paper
, Title:

Review and Evolution of Ground Effect Flight Transit Vehicles (GEFT)

, Authors: Adam Suppes, Galen Suppes
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-sw0l1-v2
 
Subject: Mathematics
,
Working Paper
, Title:

A Complete Proof of the Jacobian Conjecture via Hierarchical Methods

, Authors: dongqi liu, shifa liu
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-9nt0j
 
Subject: Mathematics
,
Working Paper
, Title:

A Hierarchical Algebraic Framework for Analyzing Polynomial Automorphisms and the Jacobian Conjecture

, Authors: dongqi liu, shifa liu
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-js9lx
 
Subject: Mathematics
,
Working Paper
, Title:

Unified Solving of Multivariate Polynomial Systems via Hierarchical Differential Algebraic Closure: A Foundation for Symbolic-Numeric Quantum Computation

, Authors: dongqi liu, shifa liu
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-mch14
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidative Rearrangement of Indoles Enabled by Promiscuous Cryptic Halogenation with Vanadium-Dependent Haloperoxidases

, Authors: Hyung Ji Lee, Carter U Brzezinski, Sergio A Solis, Raina S Semenick, Ana Villalobos Galindo, Sophia G Barthel, John Bacsa, Kyle F Biegasiewicz
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-1lfr1
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

From Spacetime Grand Unification to Energy-Momentum Grand Unification: A First-Principles Foundation for Physics

, Authors: dongqi liu, shifa liu
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-z0rsb
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Pattern Recognition of Illicit E-Waste Misclassification in Global Trade Data

, Authors: MUHAMMAD SUKRI BIN RAMLI
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-3b5bt
 
Subject: Mathematics
,
Working Paper
, Title:

Derivation of Relativistic Momentum corresponding to Classical Momentum

, Authors: Chinnaraji Annamalai
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-9nnwd
 
Subject: Chemistry
,
Working Paper
, Title:

A Recirculating Reactor for Steady-State Kinetic Measurements: Design, Construction, and Testing with CO Oxidation over Pt(111) and Graphene/Pt(111)

, Authors: Mark LaFollette, Gengnan Li, Raul Lobo, Esteban L. Fornero, Dario Stacchiola, Samuel Tenney, J. Anibal Boscoboinik
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-9vhqc
 
Subject: Computer Science
,
Presentation
, Title:

Reducibility of 3CNF Formulas: Satisfiability vs Reducibility

, Authors: Latif Salum
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.33774/coe-2025-cghl5
 
Subject: Chemistry
,
Working Paper
, Title:

Integrating experiments and phase field method through informatics for tailored corrosion performance of additively manufactured steel microstructures

, Authors: Mengistu Dagnaw, Sachin Poudel, Upadesh Subedi, Rubi Thapa, Łukasz Reimann, Augustine Nana Sekyi Appiah, Paweł M. Nuckowski, Mariusz Król, Zbigniew Brytan, Nele Moelans, Anil Kunwar
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-sk6h5
 
Subject: Chemistry
,
Working Paper
, Title:

Node engineering of Zr-Metal Organic Frameworks unlocks potent catalysts for organophosphorus hydrolysis

, Authors: Zhiyuan Huang, Linfeng Chen, Hengyue Xu, Xander B. Fleming, Chengshuang Zhou, Erika Samolova, Qiubo Zhang, Chaochao Dun, Shuo Liu, Sizhuo Yang, Raynald Giovine, Haimei Zheng, Jian Zhang, Corie Y Ralston, Michael D Connolly, Jeffrey J. Urban, Yi Liu
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-6q8lp
 
Subject: Chemistry
,
Working Paper
, Title:

Redefining Computational Enzymology with Multiscale Machine Learning/Molecular Mechanics Metadynamics: Deciphering Catalytic Mechanism and Stereoselectivity in Diels–Alderases

, Authors: Xujian Wang, Haocheng Tang, Xiongwu Wu, Bernard Brooks, Junmei Wang, Wan-Lu Li
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-x2k6j
 
Subject: Chemistry
,
Working Paper
, Title:

DEL Simulator: A Digital Twin for Understanding Machine Learning on DNA-Encoded Libraries

, Authors: Artur Menzeleev, Sathya Chitturi, Geraint Davies, Tony Schroeder, Alpha Lee
Version undefined posted 02 October 2025
Posted
Oct 02, 2025
10.26434/chemrxiv-2025-8rw8j
 
Subject: Chemistry
,
Working Paper
, Title:

Ammonia Adsorption onto MFI Zeolite Nanosheets

, Authors: Ramanish Singh, Nathan Wang, Henry Wolters, Prerna Prerna, Michael Tsapatsis, J. Ilja Siepmann, Daniela Kohen
Version undefined posted 03 October 2025
Posted
Oct 03, 2025
10.26434/chemrxiv-2025-x74kh
 
Subject: Chemistry
,
Working Paper
, Title:

Initial stage of nanoscale imaging in positive-tone extreme UV photoresists: the influence of polymer sequence

, Authors: Frances Houle, William Hinsberg, Jacob Milton, Qi Zhang, Cheng Wang, Samuel Blau
Version undefined posted 03 October 2025
Posted
Oct 03, 2025
10.26434/chemrxiv-2025-hqrdh
 
Subject: Chemistry
,
Working Paper
, Title:

Organo-Catalyzed Deamination of Polystyrene Sulfonamide for Diverse Post-Polymerization Modification of Styrenic Polymers

, Authors: Tulaja Shrestha, Dan My Nguyen, Harrison Goehrig, Vidhika Damani, Caitlyn Quinn, Laure Kayser
Version undefined posted 03 October 2025
Posted
Oct 03, 2025
10.26434/chemrxiv-2025-c8qp1
 
Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

A Novel Electrochemical Biosensor for Real-Time Dopamine Monitoring in Neurodegenerative Diseases

, Authors: Christian Polilen, Aayush Chebolu, Kavin Murugesan
Version undefined posted 05 October 2025
Posted
Oct 05, 2025
10.33774/coe-2025-38kch
 
Subject: Chemistry
,
Working Paper
, Title:

Interlayer Force Field for the Anisotropic Interaction between Planar Organic Molecules and Two-dimensional Hexagonal Boron Nitride

, Authors: Tolibjon Abdurakhmonov, Oliver Kuehn
Version undefined posted 05 October 2025
Posted
Oct 05, 2025
10.26434/chemrxiv-2025-kvl69
 
Subject: Chemistry
,
Working Paper
, Title:

Selective and Solvent-Free Extraction of Medium-Chain Fatty Acids with Polydimethylsiloxane Membranes

, Authors: Jiahao Zhu, Renzo L. Gutierrez, Yuxin Zhang, Niher R. Sarker, Diana Dyussekenova, Jasmeen Parmar, Byung-Chul Kim, Badr Abbas, Kaiyang Ren, Christopher E. Lawson, Jay R. Werber
Version undefined posted 05 October 2025
Posted
Oct 05, 2025
10.26434/chemrxiv-2025-ck1g2
 
Subject: Chemistry
,
Working Paper
, Title:

Boron-enabled Stereoselective Synthesis of Polysubstituted Housanes

, Authors: Hao Fang, Aimara García-Camacho, Ho Seong Hwang, Atthawut Sudsamart, Constantin G. Daniliuc, Oleksandr O. Grygorenko, Ignacio Funes-Ardoiz, John James Molloy
Version undefined posted 05 October 2025
Posted
Oct 05, 2025
10.26434/chemrxiv-2025-cgg8d
 
Subject: Chemistry
,
Working Paper
, Title:

Copper-Catalyzed Trifluoromethylation of Vinylsiloxanes.

, Authors: Simone Grosso, Michela Marchese, Logan Salamone, Olivier Riant, Gwilherm Evano
Version undefined posted 05 October 2025
Posted
Oct 05, 2025
10.26434/chemrxiv-2025-kcm8n
 
Subject: Chemistry
,
Working Paper
, Title:

RE7M4InGe12 (RE = Y, Gd–Er; M = Rh, Os) Quaternary Germanide Series Expansion with Structural Motif Clustering

, Authors: Natalia Pozdnyakova, Emil I. Jaffal, Danila Shiryaev, Brook Xhabrahimi, Balaranjan Selvaratnam, Anton Oliynyk
Version undefined posted 05 October 2025
Posted
Oct 05, 2025
10.26434/chemrxiv-2025-mmp2v
 
Subject: Chemistry
,
Working Paper
, Title:

Potassium Hydrogen Sulfate - Promoted One-Pot Synthesis of Bis(indolyl)alkanes from α-keto Carboxylic acids and Indole Derivatives: Experimental and Computational Studies

, Authors: Baby Viswambharan, Trinadh Ballanki, Anjali Devi Subramanian, Vaishnu Suresh Kumar, Mohit Garg, Pravin Chinnappa
Version undefined posted 05 October 2025
Posted
Oct 05, 2025
10.26434/chemrxiv-2025-4k8v6
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Synthesis of (+)-Auriculatol A

, Authors: Jordan Thompson, Kala Youngblood, Yun Hao Shawn Teh, Conner Farley, Zhehao Zhang, Scott Virgil, Sarah Reisman
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-gqjsf
 
Subject: Chemistry
,
Working Paper
, Title:

Photoinduced Electron Transfer (PET) Reaction in Ethaline-like solvents

, Authors: Saqib Rabbani, Mohammedulameen Fakhri, Andy Lin, John Swierk
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-ttbm8
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Oxidation of Short-Chain Alcohols on Spinel CoFe2O4 (001) Surfaces: Mechanistic Insights from DFT

, Authors: Christof Hattig, Arjeta Rushiti
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-9t7jk
 
Subject: Chemistry
,
Working Paper
, Title:

Tryptophanase Mining and Characterization Towards the Biological Production of Indole Derivatives

, Authors: Ruben Marcel de Boer, David Harding-Larsen, Stanislav Mazurenko, Ditte Hededam Welner
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-231k2
 
Subject: Chemistry
,
Working Paper
, Title:

Crystallization Transition Pathways in Neutron-Irradiated Quartz: Insights from Atomistic Simulations

, Authors: Takahiro Ohkubo, Taisei Miyagawa, Ippei Maruyama, Kenta Murakami, Shohei Sawada, Osamu Kontani, Masaki Kawai, Junji Etoh
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-z8w1n
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacial Photocycloaddition Polymerization: Synthetic Approach of Structurally Functionalized Degradable Polymer Particles from Naturally-derived Monomers

, Authors: Yukiya Kitayama, Misato Yamashita, Atsushi Harada
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-84gxs
 
Subject: Chemistry
,
Working Paper
, Title:

Orbital Exchange Calculations of Chemical Bonding in Some Molecules Containing Carbon

, Authors: Paul Merrithew
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2021-htz42-v5
 
Subject: Chemistry
,
Working Paper
, Title:

CycloSELs – Massive Screening Platform of barcode-free macrocycle libraries enables the identification of cell-penetrating PPI inhibitors

, Authors: J. Miguel Mata, Jingming Liu, Marije Havermans, Sean M. McKenna, Edith van der Nol, Ruud Delwel, Sebastian J. Pomplun
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-6brdd
 
Subject: Chemistry
,
Working Paper
, Title:

Convergent Lead Discovery Strategies Yield Covalent and Non-covalent Inhibitors of Human UDP-Galactose-4-Epimerase

, Authors: William Browne, Jonathan Pettinger, Teresa Weckwerth, Andrew Purkiss, Sing Hei Lok, Louisa Penicaut, Roksana Ogrodowicz, Raveena Morar, Simone Kunzelmann, Chloe Roustan, Ganka Bineva-Todd, Saskia Pieters, Francesca Zappacosta, Svend Kjaer, David House, Stephane Mouilleron, Jacob Bush, Benjamin Schumann
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-96j43
 
Subject: Chemistry
,
Working Paper
, Title:

Yeast display technology enables rapid discovery of low-nanomolar macrocyclic peptide inhibitors of human angiotensin-converting enzyme 2

, Authors: Alessandro Angelini, Zhanna Romanyuk, Giacomo Bettin, Paul Brear, Sara Linciano, Ylenia Mazzocato, Simone Bonadies, Ilaria Zanotto, Camilla Mazzucco, Gianfranco Pasut, Sara De Martin, Alessandro Scarso, Christian Heinis, Sylvia Rothenberger, Marko Hyvönen
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-lsxkv
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical lithiation of the layered superionic conductors AgCrSe2 and CuCrSe2

, Authors: Seongbak Moon, Md Towhidur Rahman, Noah P. Holzapfel, Alexandra Zevalkink, Veronica Augustyn
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-wg75n
 
Subject: Chemistry
,
Working Paper
, Title:

DFT Studies on the Effect of Dihedral Angle between Two Benzene Monomers in Biphenyl on Electron/Hole Coherence Strength and UV-Vis Absorption

, Authors: Grayson Venus, Audrey Leno, Lichang Wang
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-xg641
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrophobic Model Systems for Oil Film Photooxidation: Part I: Sensitizer Effects on Hydrocarbon Photodegradation

, Authors: Manoj Rayaroth, Bin Wu, Christoph Aeppli
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-hbrhr
 
Subject: Chemistry
,
Working Paper
, Title:

The Gated Quantum Resonator: A Bayesian Circuit–Hamiltonian Framework for Catalysis, Enzymology, Ultraweak Photon Emission, and Materials Science

, Authors: James R F SUTTON
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-m7wxn-v4
 
Subject: Chemistry
,
Working Paper
, Title:

A “turn-on” chemodosimeter for detection of Cu2+ in living cells

, Authors: Marlies Roswitha Körber, Dina Attia, Elisabeth Kohlbauer-Masson, Andriy Mokhir
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-jlbzl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Supercapacitor-Based CO2 Capture Enhanced by Electrolyte pH Control

, Authors: SELINA ELLEN WIESNER, Zeke Coady, Zhen Xu, Alexander Forse
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-8zjcw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling Torsional Preferences: Comparative Analysis of Torsion Motif Angle Distributions Across Different Environments

, Authors: Jessica Braun, Paul Katzberger, Gregory A. Landrum, Djahan Lamei, Sereina Riniker
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-zm7x7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Learning of GNN Ensembles for Predicting Redox Potentials with Uncertainty

, Authors: Arindam Chowdhury, Hassan Harb, Romain Egele, Caio Alves, Fakhrul H Bhuyan, Hieu Anh Doan, Alvaro Vazquez-Mayagoitia, Rajeev Surendran Assary, Prasanna Balaprakash
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-0tq7j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Degradation-assisted doping of organic semiconductors: a strategy towards higher p-doping efficiency enabled by Lewis acids

, Authors: Melissa Berteau-Rainville, Taylor P. L. Cosby, Shubham Bhagat, Amy E. Laturski, Myles Creran, Emanuele Orgiu, Thomas Baumgartner, Christopher B. Caputo, Ingo Salzmann
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-sk168-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A New Class of Customisable Stable Boronic Ester Assembly

, Authors: Daniel Coomber, Olivia Rusli, Jack Evans, Peter Lee, Hemant Sharma, Nicole Rijs, Carol Hua, Frederick Pfeffer
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-h0j4z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Primitive chemically fueled reaction cascade for dissipative droplets

, Authors: Ali Wang, Morten Jannik Bjerrum, Preben Graae Sørensen, Junjun Tan
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-bdgh6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Primitive thioesterification/hydrolysis reaction cycles for dissipative assemblies

, Authors: Ali Wang, Morten Jannik Bjerrum, Preben Graae Sørensen, Junjun Tan
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-xczf7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Self-assembly of unconventional triphenylene-based frustrated amphiphile in solution

, Authors: Henrique Musseli Cezar, Giacomo Berton, Tommaso Lorenzetto, Sandro Zorzi, Cedrix J. Dongmo Foumthuim, Szymon Mikołaj Szostak, Pablo Ballester, Claudia Mondelli, Ralf Schweins, Viviana Cristiglio, Fabrizio Fabris, Reidar Lund, Alessandro Scarso, Achille Giacometti, Michele Cascella
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-l9qzc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Effect of PFOA on the Secondary Structure and Hydration of Globular Proteins: A CD and 2D-IR Study

, Authors: Daan Vos de Wael, Giulia Giubertoni, Mischa Bonn, Sander Woutersen
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-hsdk2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Glucosamine and galactosamine functionalised silica nanoparticles for the targeting of glycoproteins

, Authors: Mark Stephan Edward Hardmeier, Karolina Dziemidowicz, Gareth R. Williams, Gemma-Louise Davies
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-pmc69-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Data-centric training enables meaningful interaction learning in protein–ligand binding affinity prediction

, Authors: Matheus da Silva, Lincon Vidal, Isabella Guedes, Camila de Magalhães, Fábio Custódio, Laurent Dardenne
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-khbrl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Dot or Not? The Effect of Ligands on the Nature of Excitations in CdS Nanoparticles.

, Authors: Eimear Madden, Martijn Zwijnenburg
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-wb2fl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Atomic Orbital Energy Matching vs. Overlap in Actinide-Ligand Dative Bonding

, Authors: Asmita Sen, Augustine Obeng, Kurtis Stanistreet-Welsh, Jochen Autschbach
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-csjxr-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Strain-Induced Quinoidal Character in a Carbon Nanoring Embedding Anthracene Units

, Authors: Tomohiko Nishiuchi, Yuta Makihara, Takashi Kubo
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-dwx14-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Crystalline Phosphorus-Substituted Borinium Cation: Double Dihydrogen Activation by an Ambiphilic Inorganic Allene

, Authors: Anna Ordyszewska-Lach, Kinga Cieplińska, Iwona Anusiewicz, Jarosław Chojnacki, Kinga Kaniewska-Laskowska, Rafał Grubba
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-9t6h7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Martini 3 coarse-grained model for chitosan with tunable acetylation

, Authors: Sonia Cambiaso, Hafez Razmazma, Roshan Shrestha, Davide Bochicchio, Giulia Rossi, Luca Monticelli
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-qb3n5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Divergent Anion Hosts from a Single Macrocyclic Precursor via Anion-Assisted Skeleton Editing or Late-Stage Functionalization

, Authors: Patryk Niedbała, Maciej Majdecki, Maciej Jelecki, Magdalena Ceborska, Janusz Jurczak, Kajetan Dabrowa
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-4qkpj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrophobic Model Systems for Studying Oil Photooxidation Pathways in Oil Films. Part II: Direct vs Indirect Pathways: Roles of Oxygen, Solvent Polarity, and Structure

, Authors: Bin Wu, Manoj Rayaroth, Christoph Aeppli
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-cmfj8
 
Subject: Chemistry
,
Working Paper
, Title:

MolOrgGPT: De novo Generation via Large Language Models and Reinforcement Learning

, Authors: Pablo Varas, Oscar Toledano, Nuria Campillo, David Ríos Insua
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-12hfs
 
Subject: Chemistry
,
Working Paper
, Title:

Mapping the Hierarchical Environmental Transformations of Nanoscale UiO-66 Metal-organic Framework

, Authors: Swaroop Chakraborty, Iuliia Mikulska, Pankti Dhumal, Nathan Langford, Susan Nehzati, Rhiannon Boseley, Sang Pham, Christian Pfrang, Manpreet Kaur, Eugenia Valsami-Jones, Konstantin Ignatyev, Dhruv Menon, Superb K. Misra, Iseult Lynch
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-1c6nz
 
Subject: Chemistry
,
Working Paper
, Title:

A Coarse-Grained MARTINI Model for Mucins

, Authors: Thilakan Kanesalingam, Erik Weiand, Philippa Cann, Marc Masen, James Ewen
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-c4f4t
 
Subject: Chemistry
,
Working Paper
, Title:

Biotic Transformation of abiotically stable nanoscale UiO-66 Metal–Organic Frameworks by the waterflea Daphnia magna results in Chronic Reproductive Toxicity

, Authors: Swaroop Chakraborty, Pankti Dhumal, Iuliia Mikulska, Sang Pham, Laura-Jayne Bradford, Dhruv Menon, Superb K. Misra, Iseult Lynch
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-hrf4k
 
Subject: Chemistry
,
Working Paper
, Title:

Estimating Reaction Rate Constants from Impedance Spectra: Combining Microkinetic Modeling and Experiments of the Oxygen Evolution Reaction

, Authors: Bart van den Boorn, Freja Vandeputte, Matthijs van Berkel, Crizaldo Mempin, Debashrita Sarkar, John Lataire, Gerd Vandersteen, Anja Bieberle-Hütter
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-6g2l2
 
Subject: Chemistry
,
Working Paper
, Title:

Atomically-thin Two-dimensional π-conjugated Kagomé Polymer with Dirac Cone-Driven Charge Transport

, Authors: Dominik Dettmann, Alessandro Pecchia, Andrea Notargiacomo, Marialilia Pea, Stefano Franchi, Michele Re Fiorentin, Ehsan Hamzehpoor, Aleksandar Mikov, Navathej Preetha Genesh, Gianluca Galeotti, Barbara Paci, Tarnjit Kaur Johal, Valerio Di Palma, Marco Fanciulli, Anna Sgarlata, Maurizia Palummo, Emanuele Orgiu, Dmytro F. Perepichka, Federico Rosei, Giorgio Contini
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-vrlkc
 
Subject: Chemistry
,
Working Paper
, Title:

Mixing Suppression Effect of Large-Hole Perforated Plates in Multi-stage Fluidized Beds

, Authors: Yoshiki Shigaki
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-dnt6s
 
Subject: Chemistry
,
Working Paper
, Title:

Searching for chemical compounds using open access public sources

, Authors: MASSIMO BARBIERI
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-sjdmb
 
Subject: Chemistry
,
Working Paper
, Title:

Stereofacial Assembly of Engineered Multi-Chiral Aziridines via B/Si Ylide Insertion

, Authors: Elena Fernandez, Maria Mendez, Anika Tarasewicz, Luis Tarifa, Mireia Pujol
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-gbvjr
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Free Volume within Frontal Ring-Opening Metathesis Polymerization via Pendent Group Plasticization

, Authors: Kevin A. Stewart, Francesca J. Lombardi, Sky D. Cao, Claire M. Massouh, Jacob J. Lessard
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-8dg43
 
Subject: Chemistry
,
Working Paper
, Title:

A C66 Nanographene with Six Azulene Units and NIR-II Absorption: Toward Azulene-Based Carbon Allotropes

, Authors: Maksymilian Borkowski, Ada Drwęcka, Szymon Zelewski, Artur Kasprzak, Sławomir Szafert, Bartłomiej Pigulski
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-192lr
 
Subject: Chemistry
,
Working Paper
, Title:

Charge regulation enables uptake of ampholytes to polyelectrolyte brushes

, Authors: Roman Staňo, Peter Kosovan
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-dh46q
 
Subject: Chemistry
,
Working Paper
, Title:

Networks of Electrochemical Oxidation of Common Lithium-Ion Battery Solvents Revealed by NMR Spectroscopy

, Authors: Leah Rynearson, Haoyu Liu, Stefan Ilic, Milena Martins, Pedro Farinazzo Bergamo Dias Martins, Jens Niklas, Justin G. Connell, Dusan Strmcnik, Jordi Cabana, Baris Key
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-1tr6m
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Dynamics Insights into Ibuprofen Nanocrystal Dissolution Put in the Context of Classical Nucleation Theory

, Authors: Peter Skrdla, Benjamin Coscia, Casey Brock, Thomas Hughes, David Giesen, Paul Winget
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-1s1pn
 
Subject: Psychology
,
Poster
, Title:

Consciousness, the High Probability of the Afterlife, and the Evolution of Human Intelligence in the Universe/s

, Authors: K. L. Senarath Dayathilake
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.33774/coe-2025-p2vfz
 
Subject: Psychology
,
Working Paper
, Title:

A Fundamental Physical Theory of Conscious Identity: Resolving the Paradoxes of Unicity and Continuity

, Authors: K.L. Senarath Dayathilake
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.33774/coe-2025-p87pl
 
Subject: Chemistry
,
Working Paper
, Title:

A Target-Specific Machine Learning Framework for Predicting Fuel Blend Properties

, Authors: Olanrewaju Daramola, Emmanuel Olanrewaju, Israel Trejo, Elvis Enebeli
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-fq1fq
 
Subject: Chemistry
,
Working Paper
, Title:

Estimating stability constant and entropy for metal-ligand complexation reactions in blood plasma and microbial growth media

, Authors: Apar Prasad, Everett Shock
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-ljxwm
 
Subject: Chemistry
,
Working Paper
, Title:

Post-assembly modification of Pt(II) metallacages: an open door to medicinal applications

, Authors: Nina Willnhammer, Felix Böhm, Lena Rieder, David Bogenberger, Daniela Krauss, Guillermo Moreno-Alcántar, Angela Casini
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-59j0m
 
Subject: Chemistry
,
Working Paper
, Title:

Isothermal and Non-Isothermal Measurements Can Yield Different Activation Energies From Thermal Analysis

, Authors: Peter Skrdla
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-sjnc7
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Development and Validation of a Measurement Scale for Political Activism Among Young Adults Between 18 and 25 Years Old

, Authors: Sam Dost, Roel Boumans
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.33774/apsa-2025-1gbp9
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing Irreversible Thermal Transformations in Silicones for Next-Generation Lip Gloss: A 12-Fold Slip Enhancement Over Lipid Systems

, Authors: El Hossien Glal
Version undefined posted 06 October 2025
Posted
Oct 06, 2025
10.26434/chemrxiv-2025-2knw4
 
Subject: Chemistry
,
Working Paper
, Title:

Laying the foundation for digital material design of porous transport electrodes for PEM water electrolysis with multiscale tomography

, Authors: Markus Bierling, David McLaughlin, Andreas Hutzler, Mingjian Wu, Darius Hoffmeister, Dennis Chalupczok, Erdmann Spiecker, Thomas Böhm, Simon Thiele
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-xd6x9
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing efficiency and accuracy of structural feature recognition in battery cathode materials by collaborating Kolmogorov-Arnold Networks（KAN）with self-attention mechanism

, Authors: Zechen Li, Yuxing Gong, Wei Zhang, Ning Wang, Chunyu Zhu, Huijun Yang, Hiroaki Kobayashi, Baoyin Yuan, Ruijie Zhu
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-l7szw
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling Iridium Degradation Pathways during Intermittent Operation of a Proton Exchange Membrane Water Electrolyzer

, Authors: Maja Milosevic, An Phuc Dam, Mirjam Rogler, Andreas Hutzler, Thomas Böhm, Valentin Briega-Martos, Georgios Papakonstantinou, Michel Suermann, Simon Thiele, Kai Sundmacher, Serhiy Cherevko
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-plrdx
 
Subject: Chemistry
,
Working Paper
, Title:

Bioorthogonal gold-catalyzed carbonyl release and its adaptation for prodrug therapy using multivalent lectin-directed artificial metalloenzymes

, Authors: Jing Huang, Yiling Liu, Yufei Li, Jianghui Du, Xiao Han, Kenward Vong
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-8zx0r
 
Subject: Chemistry
,
Working Paper
, Title:

Untargeted metabolomics for forensic body fluid identification - a pilot study

, Authors: Meghna Swayambhu, Tom D. Schneider, Marie-Sophie Kübler, Janko Tackmann, Guro Dørum, Rolf Kümmerli, Thomas Krämer, Natasha Arora, Andrea E. Steuer
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-wqsh6
 
Subject: Chemistry
,
Working Paper
, Title:

Unifying Design for Homogeneous and Heterogeneous Catalysis via d-Band Center Alignment

, Authors: Dongin Kim, Daewon Oh, Kwangjin An, Aron Walsh, Hyunsoo Park
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-5md0h
 
Subject: Chemistry
,
Working Paper
, Title:

Angle-Strained Cycloalkyne-Mediated Carbonyl 1,2-Transposition

, Authors: Kanlei Ji, Yuxiang Liao, Shenao Deng, Zhao Wu
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-79gqk
 
Subject: Chemistry
,
Working Paper
, Title:

Rethinking the Evidence for a Liquid–Liquid Transition in Water: What Decompression Experiments Really Reveal

, Authors: Rajat Kumar, Ingrid de Almeida Ribeiro, Debdas Dhabal, Valeria Molinero
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-0mqg5
 
Subject: Chemistry
,
Working Paper
, Title:

Non-Faradaic Capacitive Sensing of Halides at Amine-Rich Electroactive Hybrid Interface

, Authors: Chaitanya Yerragudi, Rajarshi Ghosh, Suvendu Panda, Rudraditya Sarkar, Nivedita Sikdar
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-8cflf
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Graph Convolutional Electronic Propagators

, Authors: Annabella DeBernardo, Nicholas Jackson
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-fwznn
 
Subject: Chemistry
,
Working Paper
, Title:

Cosolvents Disrupt Water H-bond Networks at Electrode Interfaces: a Surface-enhanced 2D IR Study

, Authors: Saptarsi Mondal, Kevin Chen, Carlos Baiz
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-4jhpf
 
Subject: Chemistry
,
Working Paper
, Title:

Amine functionalized flat sheet porous polymer sorbents with oxidative degradation resistance for efficient low CO2 concentration capture applications

, Authors: Claire Larson, Samser Shaikh, Patrick Muldoon, Khaled Baamran, Janice Steckel, Ali Sekizkardes
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-1ftgk
 
Subject: Chemistry
,
Working Paper
, Title:

Combining Chemical, Geometric, and Novel Topological Features to Develop Generalizable Machine Learning Models for Predicting Mechanically Stable MOFs

, Authors: Akash Ball, Changhwan Oh, Gozel Dovranova, Heather Kulik
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-57ntp
 
Subject: Chemistry
,
Working Paper
, Title:

Size of biomolecular condensates dictates fate in liquid–solid phase transitions through amorphous–amyloid competition

, Authors: Junka Kawakami, Taiki Ozawa, Yoko Maruyama, Honoka Ishikawa, Kota Yamauchi, Koichi Kobayashi, Shinji Kajimoto, Takakazu Nakabayashi, Shunsuke Tomita, Tanushree Agarwal, Tomas Sneideris, Kichitaro Nakajima, Kentaro Shiraki, Hideki Taguchi, Akihide Hibara, Tuomas Knowles, Eri Chatani, Yuta Mizuno, Yumiko Ohhashi, Mao Fukuyama
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-6xwcg
 
Subject: Chemistry
,
Working Paper
, Title:

Barrierless Nucleation in Glassy Precursors Drives Zeolite Formation

, Authors: Debdas Dhabal, Suvo Banik, Andressa Bertolazzo, Henry Chan, Subramanian Sankaranarayanan, Valeria Molinero
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-k5vbk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetic Stabilization of [n]Cumulenes by Endgroup Design

, Authors: Bozheng Sun, Matthew A. Johnson, Marc H. Garner, Dominik Wendinger, Yanwen Yang, Lanting Jiang, Michael J. Ferguson, Rik Tykwinski
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-mv767-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Multiscale Simulation Framework for Elucidating Photochemical Structure-Activity Relationships of Photoswitchable Ligands in Complex Biomolecular Environments

, Authors: Amirhossein Bakhtiiari, Mohammad Khavani, Gustavo Costa, Ruibin Liang
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-z081l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Indanone Building Blocks from Lignin Related C-9 Plaform Molecules

, Authors: Josue Arturo Ledezma Fierro, Simona Bassoli, Julian Schilke, Anett Schallmey, Giovanni Poli, Alexandre Pradal
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-w7877-v3
 
Subject: Chemistry
,
Working Paper
, Title:

PoroNet: An Inherently Interpretable Pore Graph Neural Network for Prediction of Gas Adsorption in Metal-Organic Frameworks

, Authors: Chao Zheng, Arun Gopalan, Kaihang Shi
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-gc17t
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Performance Tradeoffs in Redox-mediated Flow Batteries

, Authors: Nicholas Matteucci, Fikile Brushett
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-lm8nb
 
Subject: Chemistry
,
Working Paper
, Title:

Continuous Telescopic Synthesis and Optimization of Sudan Yellow-3G in AmarFLO Reactors using ReactWise

, Authors: Chinmay Sharma, Darshan Chheda, Kaiman Cheung, Abhinandan Chopada, Divyam Patel, Daniel Wigh, Chandrakanth Gadipelly, Alexander Pomberger
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-kxg89
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Binding of a Synthetic Peptoid Ligand to Cancer Stem Cells in Prostate Cancer: Implications for Drug Resistance and Therapeutic Targeting

, Authors: Chao Long, Maria Castaneda, Breanne McElderry, Evan Chen, Ricky Zhu, Eul Hyun Suh, Jiyong Lee
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-4trt8
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Partition Coefficients of Neutral Organics in Biotic and Abiotic Environmental Systems from Key Solvent Systems

, Authors: Zheming Liu, Yan Xu
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-t82fp
 
Subject: Chemistry
,
Working Paper
, Title:

Neutron Crystallography Study of Host-Pathogen Recognition Enhanced by Hydrogen/Deuterium Exchange on Carbohydrates

, Authors: Theodore Arnaud, Chloe Tatol, Juliette Devos, Lukas Gajdos, Sebastien Vidal, Marek Korsák, Annabelle Varrot, Michaela Wimmerová, Sophie Feuillastre, Matthew Blakeley, Anne Imberty
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-4w1cj
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental thermodynamic study of the “high-entropy” oxide (MgCoNiCuZn)0.2O: entropic stabilization confirmed, but is it all that matters?

, Authors: Vladimir Sereda, Dmitry Tsvetkov, Anna Sereda, Dmitry Malyshkin, Irina Bajenova, Ivan Ivanov, Andrey Zuev
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-fmv5k
 
Subject: Chemistry
,
Working Paper
, Title:

Thermodynamics of compositionally complex (“high-entropy”) oxides – A-site mixed (5R0.2)CoO3-δ (R = rare-earth element) perovskite-type cobaltites

, Authors: Vladimir Sereda, Dmitry Tsvetkov, Anna Sereda, Dmitry Malyshkin, Ivan Ivanov, Irina Bajenova, Semen Kuzovchikov, Alexandra Khvan, Andrey Zuev
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-dfj76
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering small molecule diffusion parameters across light responsive polymersome membranes

, Authors: Omar Rifaie Graham, Farzina Matubbar, Beyzanur Kaya, Buse Ipek, Tenzin Dorjee, Shoghik Hakobyan, Mohamed Chami, Julien E. Gautrot
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-zkf7s
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning photodynamics reveal competing inversion paths of methylated cyclooctatetrathiophene

, Authors: Christian Salguero, Steven Lopez
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-5514n
 
Subject: Chemistry
,
Working Paper
, Title:

Dried Milk Spots: A viable approach for assessing the chemical exposome in mothers and their infants by targeted LC-MS/MS

, Authors: Katharina Pfundt, Vinicius Verri Hernandes, Benedikt Warth
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-10jzm
 
Subject: Chemistry
,
Working Paper
, Title:

Local Electronic Structure, Magnetic Properties, and Optical Transitions of Nd:YAG: An Integrated Quantum Chemical Methods and Magnetic Resonance Study

, Authors: Md. Ashraful Islam, Jonas Koppe, Gabriel Balavoine, Andrew J. Pell
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-9sgfg
 
Subject: Chemistry
,
Review
, Title:

Contact Mechanics of Solid-State Batteries

, Authors: Zeeshan Ahmad, Chang-Dong Yeo
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-4lh9q
 
Subject: Chemistry
,
Working Paper
, Title:

Robust Learning from Literature Data: Model Generalizability and Uncertainty for Predicting Conjugated Polymer Solution Conformation

, Authors: Sina Dehghan-Toranposhti, Mohannad Alghamdi, Avery Smith, Martin Seifrid
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-mdtsm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Step Toward Cationic RAFT Polymerization of Less Reactive Monomers: Dithiobenzoates Bearing Electron-Withdrawing Groups as a Chain-Transfer Agents

, Authors: Andrei Leushukou, Matvey Horetski, Aliaksei Vaitusionak, Hleb Baravoi, Pavel Nikishau, Wanjun Liu, Sergei Kostjuk, Maksim Hulnik, Irina Vasilenko
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-g9pn9
 
Subject: Chemistry
,
Working Paper
, Title:

AgBiS2 Nanocrystal Synthesis from Molecular Precursors: Insights into the Acid-Catalyzed Decomposition of Dialkyldithiocarbamate Ligands

, Authors: Annie Regan, Vaishali Kshirsagar, Paul Gramelspacher, Thomas Boggess, Charles Edwin Webster, Sidney Creutz
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-592cm
 
Subject: Chemistry
,
Working Paper
, Title:

Glass Transition Breadth and Self-Healing Character of Methacrylate/2-Ethylhexyl Acrylate (EHA) Random Copolymers: Different Trends with EHA Content for Methyl Methacrylate, Ethyl Methacrylate, and n-Butyl Methacrylate

, Authors: Yixuan Yuan, Tong Wang, Nathan Purwanto, Wenshiue Young, Stan Brownell, Asghar Peera, Matthew Carter, Kimy Yeung, Li Li, John Torkelson
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-ql48z
 
Subject: Chemistry
,
Working Paper
, Title:

First Enantioselective Chalcogen Bonding Catalysis Controlled Solely by σ-Hole Interactions

, Authors: Pranav Kumar, Tomáš Hodík
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-k0j5z
 
Subject: Chemistry
,
Working Paper
, Title:

Part I: REEs recovered from multiple AMDs with assistance of precipitated MnO2 and in the presence and absence of P-bearing ligands

, Authors: Charles Depp, Aaron Goodman, James Ranville
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-vpn2t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

MolecularWeb Democratizes Web-Based, Immersive, Multiuser Molecular Graphics And Modeling

, Authors: Fabio Cortes Rodriguez, Lucien Krapp, Fernando Teixeira Pinto Meireles, Matteo Dal Peraro, Luciano Abriata
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-46p89
 
Subject: Chemistry
,
Working Paper
, Title:

Teaching Undergraduates X-Ray Crystallography with Porphyrins

, Authors: Asa Toombs, Michelle De La Cruz, Luke Van Hoosen, Zoe Y. Marr, Morgan Redington, Eva Zurek, Joyce Pham
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-qgg6n-v3
 
Subject: Chemistry
,
Working Paper
, Title:

eRMSF: A Python Package for Ensemble-Based RMSF Analysis of Biomolecular Systems

, Authors: Pablo Ricardo Arantes, Rodrigo Ligabue-Braun, Conrado Pedebos
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-zqrph
 
Subject: Chemistry
,
Review
, Title:

Molecular mechanisms behind non-monotonic surface tensions of binary aqueous n-diol mixtures

, Authors: Evangelia Charvati, Pim J. Dekker, Christian Diddens, Detlef Lohse, Florian Müller-Plathe
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-6vv9t
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of the Ligands’ Electronic Dipole Moment on Electrochemical p-Doping of CsPbBr3 Nanocrystals

, Authors: Theresa Hettiger, Roshini Jayabalan, Arup Sarkar, Jonas Hiller, Max Nusshör, Denis Andrienko, Wolfgang Brütting, Marcus Scheele
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-m7xw9
 
Subject: Chemistry
,
Working Paper
, Title:

A Permanently Porous Chalcogen-Bonded Organic Framework with an Unprecedented Ensemble of Adsorption, Assembly, Dynamics, and Electronic Properties

, Authors: Brian J. Eckstein, Hannah R. Martin, Michael P. Moghadasnia, Arijit Halder, Parker S. Brodale, Pierre Le Magueres, Patrick W. V. Butler, Katherine A. Forrest, Logan Ritter, Ryan A. Klein, Huyn June Moon, Cheng Li, Scott E. Massimi, Yongqiang Cheng, Christopher H. Hendon, Graeme M. Day, Brian Space, Craig M. Brown, C. Michael McGuirk
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-wxkq0
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacial Stiffness and Stiffness Gradient Length Scales of Model Pressure-Sensitive Adhesive Systems Supported on Glass Substrates: Styrene/n-Butyl Acrylate and Styrene/2-Ethylhexyl Acrylate Copolymers

, Authors: Sumeng Hu, Nathan Purwanto, Tong Wang, Tong Wei, Asghar Peera, Sipei Zhang, John Torkelson
Version undefined posted 07 October 2025
Posted
Oct 07, 2025
10.26434/chemrxiv-2025-z75j0
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and optical quantum memory characterization of α-Eu(IO3)3, β-Eu(IO3)3, and NaEu(IO3)4

, Authors: Jack D'Amelio, Nick Kwentus, Amy Tram, Evan Hutson, Ashwith Prabhu, Toby Woods, Donny Pearson, Elizabeth Goldschmidt, Daniel Shoemaker
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-zf7qh
 
Subject: Chemistry
,
Working Paper
, Title:

Intranodal Proton Hopping in Defect-Free UiO-66: Evidence from Operando NMR and ML-Accelerated Enhanced Sampling

, Authors: Jian Zhi Hu, Yinan Xu, Jireh S. García Sánchez, Yinjie Ji, Julian Schmid, Yezhi Jin, David J. Bazak, Sungmin Kim, Radha Kishan Motkuri, Huamin Wang, Joseph T. Hupp, Ksenija Glusac, Johannes A. Lercher, Juan J. de Pablo, Karl T. Mueller
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-2fln9
 
Subject: Chemistry
,
Working Paper
, Title:

Topology-Dependent Coke Formation in the Catalytic Pyrolysis of Phenol over HFAU and HZSM-5 Zeolites

, Authors: Jörg Fischer, Allen Puente-Urbina, Zeyou Pan, Mikhail Agrachev, Patrick Hemberger, Gunnar Jeschke, Jeroen van Bokhoven
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-bx586
 
Subject: Chemistry
,
Working Paper
, Title:

Site-Specific Bonding Analysis of Pt- and Pd-doped Au25(SR)18 Nanoclusters Using EXAFS Simulations

, Authors: Lydia Zhang, Ziyi Chen, Andrew Walsh, Peng Zhang
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-3dp4c
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-mechanistic silica core-gold nanoparticles satellites for efficient mercury trace characterization in environmental media.

, Authors: Brad Friant, Julien Gigault, Rémi Dreyfus
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-pp554
 
Subject: Chemistry
,
Working Paper
, Title:

Sublevel-Selective Electron Spin Hyerpolarization of Triplet Radical Pairs in Metal–Organic Frameworks

, Authors: Tomoyuki Hamachi, Yuheng Huang, Hannah Eckvahl, Angelo Carella, Kathryn Peinkofer, Ryan Young, Matthew Krzyaniak, Takuma Ito, Yuki Kurashige, Michael Wasielewski, Nobuhiro Yanai
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-xt8h4
 
Subject: Chemistry
,
Working Paper
, Title:

Anthraquinone-based fluorophore as electrostatic complexation-driven turn-on probe for Cardiolipin detection in model membranes

, Authors: Tathagata Ray
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-762v9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Twisted Host–Guest Systems Exhibit Superamplification of Asymmetry via Coupled Strong Association and Helicity-Driven Cooperativity

, Authors: Nozomu Suzuki, Kazuya Miyata, Yudai Ono, Yutaro Yamasaki, Takeharu Haino
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-1cl2b-v6
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization of Grand-Canonical Self-Consistent-Field Across Manifolds with Varying Occupation Spaces

, Authors: Yichi ZHANG, Jiaxin CHEN
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-f4vvs-v3
 
Subject: Chemistry
,
Working Paper
, Title:

utils4VASP: Setup and Evaluation of Electronic Structure and Machine-Learned Interatomic Potential Simulations with VASP

, Authors: Julien Steffen, Andreas Mölkner, Maximilian Bechtel
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-k49zs-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Directed Evolution of APOX for Proximity Labeling Using Phenols with High Redox Potentials

, Authors: Sifei Fang, Leslie D. Acevedo, Alexander J. Solivais, Xu Zhou, Swapnali Patil, Elliot S. Delfosse, Hang Yin, Brian L. Frey, Edwin Chapman, Lloyd M. Smith, Jeffrey D. Martell
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-07zmn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking the GW Approximation Against Coupled- Cluster Theory for 3d Transition Metals

, Authors: Laura Galleni, Stef Eversdijk, Daniel Escudero, Thomas-C. Jagau, Michiel van Setten, Maristella Alessio
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-9c6mn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cellulose Acetate Based Optical Fibers Produced by Melt-Spinning

, Authors: Heidi Englberger, Julian Helberg, Charlotte Spelsberg, Cordt Zollfrank
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-xpdbp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Portable and Accurate Quantification of Lateral Flow Assays Using Smartphone Imaging and Deep Learning

, Authors: Anna Anandita, Meghna Kapoor, Aditi Pandey, Dharitri Rath, Badri Subudhi
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-18gqg
 
Subject: Chemistry
,
Working Paper
, Title:

How to prepare an ultramicroelectrode with a precise geometry

, Authors: Timothy J. Dowell, Jayamini Hewage, David O. Wipf
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-rgkhg
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel tip-decorated carbon hybrid with spaghetti-like architecture as an efficient electrocatalyst for oxygen evolution reaction.

, Authors: ASHUTOSH DAS
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-v3jz3
 
Subject: Chemistry
,
Working Paper
, Title:

Fabrication of Co2+- Integrated AlPO₄-Cristobalite Catalyst (Karalite-A) for Biodiesel Synthesis at Mild Conditions

, Authors: Sri Rajeswary S, Kannan Chellapandian
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-blhn2
 
Subject: Chemistry
,
Working Paper
, Title:

Concerted Proton-Electron Transfer via Vibration Correlation Function Approach with Effective Anharmonicity: Beyond Classical Approximation with Duschinsky Effects

, Authors: Tsubasa Iino, Shion Sendo, Takeshi Yanai
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-nvflq
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Vapor Deposition of Uniform and Large-Scale MoS2 Using Heterogeneous Precursors

, Authors: Xiaokai Zhu, Gang Seob Jung, Jiahui Yang, Xingjian Hu, Xuguo Zhou, Zhe Shi, Victoria Ravel, Chung-Li Lin, Zihan Peng, Aaron Franklin, Qiong Ma, Tania Roy, Haozhe Wang
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-tz2gv
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding the paradigm of glycopeptide antibiotic recognition through molecular dynamics simulations

, Authors: Kirklin McWhorter, Benjamin Dratch, Brandon Colella, Katherine Davis
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-88vtl
 
Subject: Chemistry
,
Working Paper
, Title:

A chemical proteomics method to quantify Cysteine S-acylation

, Authors: Chloé Freyermuth, Jean-William Dupuy, Thibaud T. Renault, Stéphane Claverol, Anne-Aurélie Raymond, Emmanuelle Thinon
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-b43v1
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Sensor to Responder: Measurable Crime Reduction from Defense-Derived Technologies

, Authors: Joshua Luberisse
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.33774/coe-2025-pfwpw
 
Subject: Literature
,
Working Paper
, Title:

SANCTIFIED EGO: NARCISSISM IN THE CLOAK OF RELIGION IN CHIMAMANDA NGOZI ADICHIE’S PURPLE HIBISCUS

, Authors: Makepeace Deorji
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.33774/coe-2025-l5tss
 
Subject: Language and Linguistics
,
Poster
, Title:

Innovative educational approaches to functional ELF use in tourism.

, Authors: Ida Parise
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.33774/coe-2025-99htv
 
Subject: Economics
,
Working Paper
, Title:

Engaging Students Through Play in Microeconomics Using the Clash of Markets Card Game

, Authors: Jameson Estrada
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.33774/coe-2025-rbnqn
 
Subject: Chemistry
,
Working Paper
, Title:

Insight and scope of cis-selectivity of Wittig reaction for the synthesis of mono and multi-substituted stilbenes

, Authors: Linel Demar, Sheo Singh
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-tpdq0
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacial charge transfer in lead sulfide/cadmium sulfide quantum dot-monolayer molybdenum disulfide heterostructures

, Authors: Mingxing Li, Eduard Fron, Mircea Cotlet
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-lz43g
 
Subject: Chemistry
,
Working Paper
, Title:

Optical control of UGGAA repeat RNA foci by photoswitchable RNA-binding ligand

, Authors: Yusuke Fujiwara, Tomonori Shibata, Chikara Dohno
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-cwqrr
 
Subject: Chemistry
,
Working Paper
, Title:

Ionic liquids as anti-bacterial and drug delivery agent: How cation amphiphilic structure controls morphology changes in lipid bilayers and penetration mechanism

, Authors: Ludmila Baldan do Rosário, Leticia Rafaella Dias, Andrea Paravani da Costa, Asdrubal Lozada-Blanco, Kalil Bernardino
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-90l5s
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate Machine Learning Predictions of Magnetization Barriers and Relaxation Times in Dnh (n = 4–6) Dy(III) Single-Molecule Magnets

, Authors: Gopalan Rajaraman, Rajanikanta Rana
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-h913v
 
Subject: Chemistry
,
Working Paper
, Title:

Cobalt-Catalyzed Construction of Spiro Scaffolds bearing Central and Axial Chirality via Enantioselective [4+1] C–H Spiroannulation

, Authors: subramani Kumaran, Abir Das, Richard Premkumar, basker sundararaju
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-8bk3h
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic properties of cationic silver hydride aerosol clusters

, Authors: Somnath Bhowmick, Mohsen Doust Mohammadi, Anne Maisser, George Biskos
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-1x65c
 
Subject: Chemistry
,
Working Paper
, Title:

Balancing Accuracy and Efficiency in Density Functional Theory Studies of SiO₂ Polymorphs

, Authors: Michael Fischer
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-k3mgv
 
Subject: Chemistry
,
Working Paper
, Title:

GRIPHIN: Grids of Pharmacophore Interaction Fields for Affinity Prediction

, Authors: Daniel Rose, Thomas Seidel, Thierry Langer
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-6vtks
 
Subject: Chemistry
,
Working Paper
, Title:

Fully Bio-based, Degradable and Tunable Epoxy Thermosets from Homogenized Acids and Epoxidized Vegetable Oils

, Authors: Benjamin Groombridge, Gavin Irvine, Vlad Jarkov, Jonathan Husband, Strachan McCormick, Matthew Davidson
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-x9fr0
 
Subject: Chemistry
,
Working Paper
, Title:

End-to-end integration of Density Functional Theory simulations and Machine Learning affords broad feasibility model for Nickel metallaphotoredox Csp2-Csp3 cross-coupling reactions

, Authors: Michele Assante, Sara Pahlen, Brenda Pijper, Ole Specht, Nadja Simeth, Alexei Lapkin, Clive Green, Giulia Bergonzini, Mikhail Kabeshov
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-vhdhm
 
Subject: Chemistry
,
Working Paper
, Title:

Near-infrared triggered anion transport induces cancer cell death

, Authors: Manzoor Ahmad, Ríona Devereux, Angela Russel, Matthew Langton
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-qtt7h
 
Subject: Chemistry
,
Working Paper
, Title:

One-pot incorporation of quantum defects into single-walled carbon nanotubes with arylazo sulfonates

, Authors: Valeriia Andreeva, Justus Metternich, Chen Ma, Janus Wartmann, Sebastian Kruss
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-rh5pn
 
Subject: Chemistry
,
Working Paper
, Title:

A Mobile Robotic Process Chemist

, Authors: Emma Brass, Satheeshkumar Veeramani, Zhengxue Zhou, Hatem Fakhruldeen, J. Sebastian Manzano, Rob Clowes, Isil Akpinar, Miriam Ward, John Ward, Andrew Cooper
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-bsfvz
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Engineering Democracy Safely: The H.A.R.M.O.N.Y. Framework for Political Campaign Risk Management

, Authors: SENTHILKUMAR ANANTHARAMAN
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.33774/apsa-2025-gn5xp
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Leveraging the C.U.T.E. Framework: A Strategic Policy Response by Indian Manufacturers to Trump's 25% Secondary Tariff on India

, Authors: SENTHILKUMAR ANANTHARAMAN
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.33774/apsa-2025-rm6z4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Novel Method for Hydrogen Permeation Detection Using Reflective Microscopy and Machine Learning

, Authors: Aleksei Makogon, Frédéric Kanoufi, Varvara Helbert, Flavien Vucko, Slava SHKIRSKIY
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-kkswt
 
Subject: Chemistry
,
Review
, Title:

Resonant Raman and surface-enhanced Raman spectroscopies for detecting viruses and antibiotic-resistant bacteria

, Authors: Vladimir Mushenkov, Rugiya Alieva, Daria Tikhonova, Elena Zavyalova
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-qx0fp
 
Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

DNA vs. RNA Editing: A Systematic Review Evaluating CRISPR-Cas9 and CRISPR-Cas13 Therapies for Huntington's Disease

, Authors: Christian Polilen
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.33774/coe-2025-3nq2d
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Intelligent Multimodal Holography: Enabling Real-time, Selective Chemical Imaging for Dynamic Ion Separation

, Authors: Giovanna Ricchiuti, Sarah I Allec, Maxim Ziatdinov, Venkateshkumar Prabhakaran
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-jfdhc
 
Subject: Chemistry
,
Review
, Title:

Advantage, limitations, and performance insight of commonly used computation chemistry methods for solvation free energy estimation

, Authors: Chengze Yang
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-t1gtk
 
Subject: Chemistry
,
Working Paper
, Title:

Molecules in Wikipedia: Analysis of their chemical diversity, functional roles, and popularity

, Authors: Peter Ertl
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-b97c0
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Quantum Coherence: Sub-Femtosecond Lifetimes Underscore Classical Origins of Selectivity in Acid-Sensing Ion Channel 1

, Authors: Cedric Vallee, Louie Slocombe, Max Winokan, Brendan Howlin, Rebecca Lewis, Jim Al-Khalili, Marco Sacchi
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-dc7kc
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking Scalability of overlapping electric double layers for pure water splitting

, Authors: Wenbo Shi, Jingchen Meng, Haosen Xu, Jun Huang, Jianbo Zhang
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-ggcnq
 
Subject: Chemistry
,
Working Paper
, Title:

Tetramethylpiperidine N-Oxyl (TEMPO)-mediated Oxidative Functionalization of Alkoxyallenes

, Authors: Ken Lee, Colin Crawford, George Cheng, Jensen Zerban, Emanuele Casali, Subir Panja, Daniel Rampon, Jennifer Schomaker
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-j63r1
 
Subject: Chemistry
,
Review
, Title:

The Dark Matter in Water and Land: From Microplastic to Invisible Nanoplastics

, Authors: Martina Stenzel
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-4cz9p
 
Subject: Chemistry
,
Working Paper
, Title:

Thinking Outside the Library: Cluster Synthesis of Diverse Molecules on a Single Robotic Platform

, Authors: Franck Le Vaillant, Luidgi Gromat, Clémentine Pescheteau, Nicolas Ducrot, Aurélien Demilly, Jean-Christophe Meillon, Nicolas Do Huu, Quentin Perron
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-j8bsl
 
Subject: Chemistry
,
Working Paper
, Title:

Life Cycle Assessment of Automobile Parts Made of Cellulose Nanofiber-Reinforced Bio-Polyethylene Using the Pulp Direct Kneading Method

, Authors: Yuichiro Kanematsu, Hiroki Noguchi, Takeshi Semba, Hiroyuki Yano, Yasunori Kikuchi
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-qhs18
 
Subject: Chemistry
,
Working Paper
, Title:

Time resolved determination of anomeric rates of glucose-6-phosphate: success and limitations of dissolution-DNP

, Authors: Mehdi Soussi-Therond, Léa Gutierrez, Yongmin Zhang, Emeric Miclet, Mathieu Baudin, Nicolas Giraud, Daniel Abergel
Version undefined posted 08 October 2025
Posted
Oct 08, 2025
10.26434/chemrxiv-2025-8m6n0
 
Subject: Chemistry
,
Working Paper
, Title:

Pathway-Resolved Hierarchical Self-Assembly of Biomimetic Double-Walled Nanotubes

, Authors: Sundar Raj Krishnaswamy, Alexey V. Kuevda, Marc C.A. Stuart, Maxim S. Pshenichnikov
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-rts05
 
Subject: Chemistry
,
Working Paper
, Title:

Electrocatalytic Hydrogenation with MOF-derived Cobalt Nanoparticles

, Authors: Biki Behera, Xin Zheng, Haomiao Xie, Andrea Daru, Manish Maurya, Danial Zangeneh, Xiangjing Kong, Nadira Lata, Abdul Sarkar, Jan Hofmann, Akhil Kumar, Špela Kunstelj, Jacob Bryant, Massimiliano Delferro, Karena Chapman, Anna Wuttig, Robert Klie, Rachel Getman, Omar Farha, Laura Gagliardi, Ksenija Glusac
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-wnrb7
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding energy-power trade-off in the structure of Li-Ion battery cathodes by localized operando XRD

, Authors: Andrew R.T. Morrison, William J. Dawson, Hamish T. Reid, Juntao Li, Isabella Mombrini, R.S. Young, Alice V. Llewellyn, Gargi Giri, Partha P. Paul, Adam M. Boyce, Rhodri Jervis, Thomas S. Miller, James B. Robinson, Emma Kendrick, Phillip J. Withers, Marco di Michiel, Dan J.L. Brett, Paul R. Shearing
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-gwdbn
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Optimized Methyl Oleate Production Using Synthesized [Lys][CF₃SO₃]₂ Ionic Liquid as catalyst

, Authors: Xiaoyan Sun, Yining Hu, Benjamin Shu, Yintong Zhou, Xin LIU
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-8btxq
 
Subject: Chemistry
,
Working Paper
, Title:

Stereodivergent synthesis of functionalized perhydropyrrolo[1,2-b]isoxazoles based on [3+2[-cycloaddition of DACs and isoxazolines

, Authors: Konstantin Potapov, Maxim Novikov, Yaroslav Kozmenko, Pavel Solyev, Alexander Volodin, Alexander Korlyukov, Roman Novikov, Yury Tomilov
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-9mgc4
 
Subject: Chemistry
,
Working Paper
, Title:

GoFlow: Efficient Transition State Geometry Prediction with Flow Matching and E(3)-Equivariant Neural Networks

, Authors: Leonard Galustian, Konstantin Mark, Johannes Karwounopoulos, Maximilian P.-P. Kovar, Esther Heid
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-bk2rh-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Basis Set Effect on Linear Response Density Functional Theory Calculations on Periodic Systems

, Authors: Emmanuel Forson, Taylor Parsons, Marco Caricato
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-q276c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Molecular Mechanics with the uESE Continuum Solvation Model for Efficient Solvation Free Energy Prediction: Impact of Conformation and Extensive Validation

, Authors: Andrew Paluch, Jeffrey Ethier, Vikas Varshney
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-3p5rr-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Cooperative Metastability Preserves Native-like Protein Structures in the Gas Phase

, Authors: Christian Bleiholder, Thais Pedrete, Jusung Lee, Fanny Liu
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-f8j8f
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of 4,4′-Functionalization on the Electronic and Optical Properties of Biphenyl and 9,9′-Dimethylfluorene

, Authors: Peter Soutsos, Lichang Wang
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-0k4vb
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Chemistry and Catalysis by Biasing Skewed Distributions via Deep Learning

, Authors: Zhikun Zhang, GiovanniMaria Piccini
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-cvb1v-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Mechano-process triggered synthesis and adaptation of polythiourethane: a two-electron pathway

, Authors: Yixiao Dong, Farsa Ram, John Brownridge, Thalia Haines, Pin-Ruei Huang, Maria Roman, Jun Wang, Aaron Esser-Kahn
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-2c7wm
 
Subject: Chemistry
,
Working Paper
, Title:

Selectivity for Exhaustive Cross-Coupling of Dihaloarenes is Affected by the Interplay Between Halide Byproduct, Solvent, and Ligand

, Authors: Nathaniel Larson, Matthew Sandin, Sharon Neufeldt
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-kzb89
 
Subject: Chemistry
,
Working Paper
, Title:

Polymer Platform for Peroxynitrite Detection Utilizing Benzopyrylium Chemistry

, Authors: Emile J. Morin, Nanzhi Zang, Ishwaree Datta, Shivshankar R. Mane, Kyle Brown, Andrea S. Carlini
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-s4gm0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

N-Heterocyclic Carbene-Carbodiimide (NHC-CDI) Adducts as a Platform for Highly Modular Redox-Active Organic Materials

, Authors: Le Dung Pham, Rolando Calderón-Oliver, Anthony Schlimgen, Jessica Lamb
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-x8zvr
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational Dynamics and Disorder of HPV-16 E6

, Authors: Liam Kwak, Roberto A. Garza-López
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-hvzpc
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Insight into how Alcohol Catalyzes the Interfacial Chlorination of Squalene

, Authors: LIron Cohen, Amro Dodin, Meirong Zeng, David Limmer, Kevin Wilson
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-nbxcj
 
Subject: Chemistry
,
Working Paper
, Title:

Circularly Polarized Long-Persistent and Photostimulated Luminescence Enabled Through Förster Resonance Energy Transfer and Upconversion Strategies

, Authors: Ruttapol Malatong, Rengo Yoshioka, Dmitry Kovalevskiy, Kentaro Takaji, Hajime Shigemitsu, Kaede Kawaguchi, Yemineni S. L. V. Narayana, Toshiyuki Kida, Ryota Kabe
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-v0skf
 
Subject: Chemistry
,
Working Paper
, Title:

Sodium Dispersion-Mediated Rapid Reductive N–O Bond Cleavage of Weinreb Amides for N-Methylamide Synthesis

, Authors: Shunsuke Ijita, Tetsuya Satoh, Bubwoong Kang
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-7xnpk
 
Subject: Chemistry
,
Working Paper
, Title:

Re-Organization of Water at Aqueous Aluminum Chloride (AlCl3) Interfaces: Vibrational Sum Frequency Generation and Molecular Dynamic Simulations

, Authors: Biswajit Biswas, Mohammadhasan Dinpajooh, Gwendolyn Nieto, Narendra Adhikari, Gregory Schenter, Shawn Kathmann, Christopher Mundy, Heather Allen
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-vk6rd-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Semisynthetic, multicolor probes for bioluminescence imaging.

, Authors: Suong Tran, Kat Usavage, Lila Halbers, Claire Choplick, Grace Helton, Brenden Young, Jennifer Prescher, Colin Rathbun
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-gvgv1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking Switchable Reactivity of MBene via Asymmetric Surface Adsorption

, Authors: Zisheng Zhang, Frank Abild-Pedersen
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-s5d22
 
Subject: Chemistry
,
Review
, Title:

New Secondary Metabolites Isolated from Streptomyces Species

, Authors: Peter Rutledge, William Price Cunliffe
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-8zpxr
 
Subject: Chemistry
,
Review
, Title:

Beyond Pathogenesis: The Nematode Immune Network as the Arbiter of a Host-Virus Truce

, Authors: Emma Xi, Tan Meng, Hanqiao Chen
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-rv3mj
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Stirring Drives Solid-State Suzuki–Miyaura Reaction with Real-Time Visualization

, Authors: Boško Vrbica, Zhenzhong Zhang, Abhijit Sen, Aya Ohno, Daishi Inoue, Daisuke Hashizume, Nobutaka Maeda, Tomoya Fukui, Takanori Fukushima, Yoichi M. A. Yamada
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-rpxmc
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate estimation of the kinetic triplets of solid-state reactions

, Authors: Alireza Aghili
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-q2vk2
 
Subject: Chemistry
,
Working Paper
, Title:

Sulfonyl-tuned amino DASAs for targeted photophysical and photoswitching control

, Authors: Alexander Karr, Hye Joon Lee, A. Talim G. Khan, Chloe A. Ramsperger, Cesar A. Reyes, Kelly Biv, Elias Picazo
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-w75zj
 
Subject: Chemistry
,
Working Paper
, Title:

Generalized Machine Learning Potentials for Water Adsorption in Al-Based Metal–Organic Frameworks Considering Framework Flexibility

, Authors: Yutao Li, Xiaoqi Zhang, Xin Jin, Berend Smit
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-8wm70
 
Subject: Chemistry
,
Working Paper
, Title:

SCF3-Alkenes Unlocked: A Gateway via Cu(I)-Catalyzed Stereocontrolled Hiyama Cross-Coupling

, Authors: Logan Salamone, Xavier Vanderbiest, olivier riant
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-7s6lf
 
Subject: Chemistry
,
Working Paper
, Title:

Digestion-free approach towards the generation of ECM-based sol-gel systems

, Authors: Vladyslav Omelianchuk, Oleh Komarnytskyi, Mariia Moshkivska, Yelizaveta Kononenko, Kostiantyn Yefymenko, Serhii Kovalchuk, Anton Hanopolskyi, Igor Komarov
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-xrxzj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Total synthesis of the spirocyclic bis-indole alkaloid owerreine via a [4+2] annulation.

, Authors: Elisa Coll, Cyrille Kouklovsky, Laurent Evanno, Guillaume Vincent
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-2ctht
 
Subject: Chemistry
,
Working Paper
, Title:

DACHS and RoWaN: The Automated and Traceable Synthesis of ZIF-8

, Authors: Glen J. Smales, Paul A. Appel, Ingo Breßler, Aaron Chambers, Oliver Dumele, Maximilian Ebisch, Julius Frontzek, Jose del Refugio Monroy, Julian M. Rosalie, Brian R. Pauw
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-7fgg0
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of high piezoelectricity in diverse metal-organic framework chemistries using high-throughput predictive modelling

, Authors: Shubham Vishnoi, Sarah Guerin
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-tglpc
 
Subject: Chemistry
,
Working Paper
, Title:

Escaping Vibrational Purgatory: Hybrid kMC/MD Algorithms for Atomistic Simulations of Slow Reaction Chemistry

, Authors: Dylan Gilley, Vignesh Sathyaseelan, Brett Savoie
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-7tjbx
 
Subject: Chemistry
,
Working Paper
, Title:

Tailored GAFF Parameters for Pentamethylcyclopentadienyl Rh(I/III) Complexes with α-diimine ligands: Validation and Solvation Studies

, Authors: Richard Jacobi, Konstantinos Pantelis Zois, Alexander K. Mengele, Sven Rau, Leticia González
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-glvc2
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Photocatalytic Hydrogen Evolution via Optimized Coating Strategies for Photo Flow Reactors

, Authors: Jan Oberbichler, David Köpfler, Malek Ibrahim
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-sc178
 
Subject: Chemistry
,
Working Paper
, Title:

Unsaturated phosphorus electrophiles to probe protein tyrosine phosphatases

, Authors: Eleftheria Poulou, Max Ruwolt, Christian Stieger, Kristin Kemnitz-Hassanin, Christian Hackenberger
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-x0w8t
 
Subject: Chemistry
,
Working Paper
, Title:

Dual-Role Iron Species in Photoelectrocatalytic Radical Trifluoromethylation with Trifluoroacetates

, Authors: Sara Fernández-García, Sara Cuadros, Irene Bosque, Jose C Gonzalez-Gomez, Francisco Juliá-Hernández
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-qxvz3
 
Subject: Chemistry
,
Working Paper
, Title:

Amine to Halogen Exchange Enables an Amine-Acid Etherification

, Authors: Andrew Mcgrath, Sandip Kumar Das, Eunjae Shim, Andrew Outlaw, Serik Zhumagazy, Hamid Rashidi Nodeh, Jean-Francois Brazeau, Zhicai Shi, Jennifer D. Venable, Christine Gelin, Paul M. Zimmerman, Tim Cernak
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-twl14
 
Subject: Chemistry
,
Working Paper
, Title:

Organocatalyst-Controlled Stereoselective Head-to-Tail Macrocyclizations

, Authors: Jonas Wolfgang Rackl, Linus Benedikt Boll, Helma Wennemers
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-m78z8
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Unexpected Voices: How Cultural Agents Reshape Political Communication

, Authors: Eunji Kim, Erin York
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.33774/apsa-2025-whhvk
 
Subject: Mathematics
,
Working Paper
, Title:

Bounded Solutions of a Complex Differential Equation for the Riemann Hypothesis

, Authors: Walid OUKIL
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.33774/coe-2023-sb63n-v26
 
Subject: Mathematics
,
Working Paper
, Title:

Logarithmic and Modular Compensation in Goldbach Structures

, Authors: Shang Yu Chen
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.33774/coe-2025-hdm0m
 
Subject: Economics
,
Working Paper
, Title:

The asymmetric impact of tourism on economic growth: empirical evidence from Madagascar

, Authors: Franck Maminirina Ramaharo
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.33774/coe-2025-s558j
 
Subject: Psychology
,
Working Paper
, Title:

Continuity and Uniqueness of Consciousness: Logical Paradoxes and a Hypothesis of Additional Biophysical Degrees of Freedom

, Authors: K.L. Senarath Dayathilake
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.33774/coe-2025-t6pmb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A High-Efficiency CCUS Process: CO₂ Methanation with an MgO–MgCO₃ Solid Loop

, Authors: Yoshiki Shigaki
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-pwtl1
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Structure and Charge-Shift Bonding in AlBe7Cl3: A DFT and QTAIM Analysis

, Authors: Dhananjay Kumar Jha
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-fsq5s
 
Subject: Chemistry
,
Working Paper
, Title:

In silico analysis of pharmacophore modeling for binding Inhibition of VEGF-A and NRP-1 B1 domain

, Authors: Margaretha Clairine Sungkono, Monica Claudia Tan, Morgan Charlene Fui, Kirsten Tira Nugroho, Katherine Arianna Barli, Jason Alexander Setiabudi Setiabudi, Joyfull Widiyanto, Inneke Febiana, Arli Aditya Parikesit
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-rtg2n
 
Subject: Chemistry
,
Working Paper
, Title:

One General Approach Building Bulky Ketones Utilizing Radical Sorting Effect

, Authors: Jinkun Fan, Hao Sun, Yukai Wang, Xu Cheng
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-xkq9x
 
Subject: Chemistry
,
Working Paper
, Title:

Topological Effects of Two-Dimensional Covalent Organic Polymers on Photocatalytic Water Splitting

, Authors: Preeti Bhauriyal, Thomas Heine
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-30rrg
 
Subject: Chemistry
,
Working Paper
, Title:

Reconceiving catalysis at air-water interfaces: interfacial electric fields are milder than bulk fields

, Authors: Gabriele Amante, Giuseppe Cassone
Version undefined posted 09 October 2025
Posted
Oct 09, 2025
10.26434/chemrxiv-2025-rnpmd
 
Subject: Chemistry
,
Working Paper
, Title:

From Side Streams to Functional Protein Materials: Scenario Analysis of Swiss Whey

, Authors: John Hader, Nadia Malinverno, Carlos Gómez-Camacho, Mohammad Peydayesh, Raffaele Mezzenga, Claudia Som
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-t6drz
 
Subject: Chemistry
,
Working Paper
, Title:

Nanoparticle In Vitro Dosimetry via Supervised Machine Learning

, Authors: Linard David Hoessly, Sandor Balog
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-z8x44
 
Subject: Chemistry
,
Working Paper
, Title:

Programmable Nanoscale Motion via Molecular Patterning on DNA Origami

, Authors: Lars Paffen, Maurik Engelbert van Bevervoorde, Andoni Rodríguez-Abetxuko, Loai Abdelmohsen, Remco van der Hofstad, Jan van Hest, Tania Patiño Padial
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-5kg23
 
Subject: Chemistry
,
Working Paper
, Title:

Bridging Complexity and Accessibility in Metabolomics with MetaboApps

, Authors: Helena Mannochio-Russo, Wilhan D Gonçalves Nunes, Haoqi Nina Zhao, Kine Eide Kvitne, Shipei Xing, Harsha Gouda, Julius Agongo, Ipsita Mohanty, Vincent Charron-Lamoureux, Prajit Rajkumar, Abzer K Pakkir Shah, Axel Walter, Rithi Krishnaraj, Yasin El Abiead, Patrick C Ferreira, Simone Zuffa, Abubaker Patan, Andrés Mauricio Caraballo-Rodríguez, Wout Bittremieux, Daniel Petras, Mingxun Wang, Pieter Dorrestein
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-3nq29
 
Subject: Chemistry
,
Review
, Title:

Soft ionization mass spectrometry techniques: the motion laws of gaseous ions in weak electric fields

, Authors: Jiehong Luo
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-vnnj6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Heterostructure-Controlled Charge Transfer Dynamics in CdSe/CdS Dot-in-Rods and Tetrapods

, Authors: Samantha Harvey, Florence Dou, Hao Nguyen, Elise Skytte, Brandi Cossairt
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-j86q4
 
Subject: Chemistry
,
Working Paper
, Title:

De Novo Synthesis of Multisubstituted Pyrrolidines Based on a Programmed Radical [2 + 2 + 1] Annulation Strategy Using Sulfide-Based Electron Donor-Acceptor Catalysis

, Authors: Kakeru Matsukuma, Masanori Tayu, Keiyo Nakai, Mitsuhisa Yamano, Sayaka Ohrui, Tomohisa Yamaguchi, Nozomi Saito
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-gtsz2
 
Subject: Chemistry
,
Working Paper
, Title:

Toward Chemical Accuracy in Biomolecular Simulations through Data-Driven Many-Body Potentials: II. Polyalanine in Water

, Authors: Ruihan Zhou, Francesco Paesani
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-j6cwv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Exploiting transient anisotropy to reveal detailed molecular-frame ultrafast dynamics

, Authors: Ben Carwithen, Sourav Bajpayee, Matthew Brett, Damon de Clercq, Alexander Baldacchino, Ned Ekins-Daukes, Michael Nielsen, Murad Tayebjee, Jonathon Beves, Timothy Schmidt
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-26q6r
 
Subject: Chemistry
,
Working Paper
, Title:

Aqueous interfacial casting of hydrogel thin films with programmable shapes and ultralow adhesion

, Authors: Feipeng Chen, Huiyanchen Li, Xiaoxue Fan, Xiaolai Li, Ho Cheung Shum
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-35p24
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the hydrogen evolution reaction performance on a borophene monolayer

, Authors: Jing Liu, Axel Groß
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-vtj3k
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective C(sp3)−H Dienylation of Thioamides Under Cp*Co(III)/Chiral Acid Catalysis

, Authors: Bholanath Garai, Arka Ghosh, Sayan Dutta, Bholanath Maity, Luigi Cavallo, Basker Sundararaju
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-jv7nb
 
Subject: Chemistry
,
Working Paper
, Title:

Cobalt/Photoredox Catalyzed Desymmetrization of Oxo and Azabicycles via Asymmetric Reductive Coupling with Alkynes

, Authors: Subhankar Pradhan, Arko Saha, Bholanath Maity, Sayan Dutta, Luigi Cavallo, Basker Sundararaju
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-91knv
 
Subject: Chemistry
,
Working Paper
, Title:

Selective CO2-to-Formate Electroreduction Using Cu3Sn Gas Diffusion Electrodes Synthesized via a Scalable Electrochemical Route

, Authors: Sankeerthana Bellamkonda, Shahid Rasul, Mohamed Mamlouk
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-md4t4
 
Subject: Chemistry
,
Working Paper
, Title:

Phosphorescence of Heavy, T-shaped Pnictogen Trisamides in Solution at Room Temperature in the Near-Infrared II Region

, Authors: Katharina L. Deuter, Sotirios Pavlidis, Rainer F. Winter, Peter Coburger, Josh Abbenseth
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-j2p13
 
Subject: Chemistry
,
Working Paper
, Title:

Screening ASb2O6 (A = Mg, Ca, Sr, Ba, Cd) for High Performance Transparent Conducting Oxides

, Authors: Romain Claes, Ke Li, Alexander G. Squires, David O. Scanlon
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-39bbf
 
Subject: Chemistry
,
Working Paper
, Title:

Combined In-Solution and On-Surface Synthesis of a Fully Fused Cross-shaped Phthalocyanine Pentamer

, Authors: Luis M. Mateo, Tzu-Chao Hung, Andreas Rank, Raffael Spachtholz, Felix Giselbrecht, Jonas Schön, Leo Gross, Jascha Repp, Diego Peña
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-22j4x
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanism of photo-induced conformational changes in the photoenzyme fatty acid photodecarboxylase revealed by light footprinting ion mobility mass spectrometry

, Authors: Liuwei Meng, Jason Kalapothakis, Junfeng Ma, Harry Spacey, Linus Johannissen, Ana Beth Alen, Derren Heyes, Nigel Scrutton, Perdita Barran
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-tvlz5
 
Subject: Chemistry
,
Working Paper
, Title:

PULSE-PySpawn: Time-Resolved Transient Absorption Simulation through Ab Initio Multiple Spawning dynamics with Explicit Pulses

, Authors: Carlo Albani, Davide Avagliano
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-6wcxb
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical Strategies for the Catalytic Upcycling of Polyethylene via Transfer Hydrogenation

, Authors: Antonio Trimboli, Emilia Paone, Andrea Donato, Riccardo Pellegrini, Elena Groppo, Sven Graetz, Francesco Mauriello, Lars Borchardt
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-7tck7
 
Subject: Chemistry
,
Working Paper
, Title:

Ab initio insights into support-induced sulfur resistance of Ni-based reforming catalysts

, Authors: Amit Chaudhari, Pavel Stishenko, Akash Hiregange, Christopher Hawkins, Misbah Sarwar, Stephen Poulston, Andrew Logsdail
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-fgv2m
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring polydimethylsiloxane coating strategies to enhance liquid repellency of carbonaceous porous media

, Authors: Mert Can Erer, Emre Burak Boz, Antoni Forner-Cuenca
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-5k7l6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An ultrathin hydroxide film governs the stability and reactivity of gold for the oxygen evolution reaction

, Authors: Andrea Grespi, Alfred Larsson, Auden Ti, Valentín Briega-Martos, Estephania Lira, Ulrike Küst, Giuseppe Abbondanza, Jacopo Manidi, Serhiy Cherevko, Andrey Shavorskiy, Mattia Scardamaglia, Mahesh Ramakrishnan, Justus Just, Lindsay Richard Merte, Edvin Lundgren
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-149tj
 
Subject: Chemistry
,
Working Paper
, Title:

Is MRSF-TDDFT Suitable for Cyclobutanone Dynamics? The Role of Higher Energy States in Surface Hopping Simulations

, Authors: Marcus Brady, Rachel Crespo-Otero
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-j2rv7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid, sustainable and scalable synthesis of nanocrystalline copper sulfide via intensive mixing of elements

, Authors: Matej Baláž, Patrik Jacko, Matej Bereš, Kairat Kenges, Lyazzat Mussapyrova, Kamil Szmuc, Jarmila Tulková, Imelda Octa Tampubolon, Yaroslav Shpotyuk
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-l4n3s
 
Subject: Chemistry
,
Working Paper
, Title:

Complementary Surface Motifs Enhance NO3RR Performance in NiFe Alloys

, Authors: Jorin Dawidowicz, O. Quinn Carvalho, Líney Árnadóttir, Kelsey Stoerzinger
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-pzmhp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

From pockets to products: a data-driven framework for classification of monoterpene synthases

, Authors: Cathal Ó Raghallaigh, Nigel Scrutton, Sam Hay
Version undefined posted 10 October 2025
Posted
Oct 10, 2025
10.26434/chemrxiv-2025-mf4xs
 
Subject: Mathematics
,
Working Paper
, Title:

Deriving the Accurate Mass-Energy Equivalence from the Energy-Momentum Relation

, Authors: Chinnaraji Annamalai
Version undefined posted 11 October 2025
Posted
Oct 11, 2025
10.33774/coe-2025-gjnb1
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Standard Form of Special Potential Relativity: A Unified Framework for Extended Quantum Field Theory and General Relativity

, Authors: dongqi liu, shifa liu
Version undefined posted 11 October 2025
Posted
Oct 11, 2025
10.33774/coe-2025-9t77t-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Standard Form of General Potential Relativity: A Comprehensive Framework with Experimental Verification and Mathematical Refinements

, Authors: dongqi liu, shifa liu
Version undefined posted 11 October 2025
Posted
Oct 11, 2025
10.33774/coe-2025-26c1h-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Unified Solving of Structured Diophantine Equations via Hierarchical Arithmetic Differential Closure: A Constructive and Effective Framework

, Authors: dongqi liu, shifa liu
Version undefined posted 11 October 2025
Posted
Oct 11, 2025
10.33774/coe-2025-zrr3v
 
Subject: Mathematics
,
Working Paper
, Title:

Unified Solving of Exponential Diophantine Equations via Hierarchical Differential Algebraic Closure: A Complete Constructive Framework for Structured Subclasses

, Authors: dongqi liu, shifa liu
Version undefined posted 11 October 2025
Posted
Oct 11, 2025
10.33774/coe-2025-4kckk
 
Subject: Mathematics
,
Working Paper
, Title:

Unified Solving of Transcendental Equations with Logarithms via Hierarchical Differential Algebraic Closure

, Authors: dongqi liu, shifa liu
Version undefined posted 11 October 2025
Posted
Oct 11, 2025
10.33774/coe-2025-cdghm
 
Subject: Mathematics
,
Working Paper
, Title:

A Novel Derivation of Relativistic Energy-Momentum Relation

, Authors: Chinnaraji Annamalai
Version undefined posted 11 October 2025
Posted
Oct 11, 2025
10.33774/coe-2025-nfm59-v2
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Strengthening the integrity of REDD+ credits: objectively assessing counterfactual methods using placebos

, Authors: E-Ping Rau, Jody Holland, Thomas Swinfield, Abby Williams, Srinivasan Keshav, David Anthony Coomes
Version undefined posted 11 October 2025
Posted
Oct 11, 2025
10.33774/coe-2025-hw615-v3
 
Subject: Mathematics
,
Working Paper
, Title:

Solving the Three-Body Problem via Hierarchical Differential Algebraic Closure: A Rigorous Symbolic-Numeric Framework

, Authors: dongqi liu, shifa liu
Version undefined posted 11 October 2025
Posted
Oct 11, 2025
10.33774/coe-2025-6qczk
 
Subject: Chemistry
,
Working Paper
, Title:

In-situ modified lattice and thermal expansion of a flexible molecular single crystal system governed by densification of solvent inclusion

, Authors: Somnath Dey, Angelika von Berg, Theresa Lender, B. Viliam Hakala, Hend Shahed, Michael Ohl, Andrzej Grzechnik, Carsten Paulmann, Martin Tolkiehn, Lars Peters
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2024-3995t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tailored Phosphate Leaving Groups Direct Pathway-Dependent Self-Assembly

, Authors: Arti Sharma, Kun Dai, Mahesh Pol, Anatoli Ioanna Katirtzidi Papadopoulou, Thejus Pramod, Ralf Thomann, Yi Thomann, charalampos Pappas
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-dbkrb
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Synthesis of α-Alkyloxy and α-Aryloxy Esters via Cobaloxime Catalyzed Carbene Insertion into O‒H Bonds

, Authors: Keyang Wu, Kirklin McWhorter, Ellie Phillips, Liming Tan, Katherine Davis, Gang Li
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-mztr2
 
Subject: Chemistry
,
Review
, Title:

Beyond Exactness: Approximation Strategies to the Many-Body Schrödinger Equation for Modern Quantum Chemistry Applications

, Authors: Chengze Yang
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-jzv5j
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen-Bonded Networks from Poly(dimethylamidinium) Cations and Polycarboxylate Anions

, Authors: Meabh Perry-Britton, Nicholas White
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-dp5bq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Robust Out-of-Distribution Prediction of Buchwald-Hartwig Reactions

, Authors: Paulo Neves, Bo Hao, Santeri Aikonen, Justin B. Diccianni, Jorg K. Wegner, Philippe Schwaller, Iulia I. Strambeanu
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-xcr46
 
Subject: Chemistry
,
Working Paper
, Title:

Decarboxylative Redox Bicyclo[1.1.1]pentylation: Benchmarking the Influence of Backbone Substituents on C–C Bond-Forming Reactions

, Authors: Stacie K. Nelson, Austin Pounder, Alexandra E. Thwaites, Stacey D. Wetmore, Jean-Denys Hamel
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-zssxs
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Tethering Molecular Electrocatalysts Program Microenvironments for Enhanced H2O2 Synthesis

, Authors: Gregory Gorobets, Deepak Badgurjar, Ashok Tate, Anna Wuttig
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-nf3g0
 
Subject: Chemistry
,
Working Paper
, Title:

Hyperlocal Sensing and Inverse Modeling Reveal Community Impacts of Urban Air Pollutant Emissions

, Authors: Chirag Manchanda, Ronald Cohen, Ramon Alvarez, Tammy Thompson, Maria Harris, Alexander Turner, Julian Marshall, Robert Harley, Joshua Apte
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-zt4zh
 
Subject: Chemistry
,
Working Paper
, Title:

Adaptive Quantum Subspace Diagonalization for Transition-State Mapping in Battery Electrolyte Reactions

, Authors: Yalla Jnan Devi Satya Prasad
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-4kg1p
 
Subject: Chemistry
,
Working Paper
, Title:

Tunning the Twist by Molecular Design: A New Strategy for Hexabenzocoronene-Containing Helical Twistacene

, Authors: Juan Pedro Mora Fuentes, Daniel Villar Castro, Jorge Francisco Barbosa de Bessa, Daniel Aranda, Frank Hampel, Maria Dolores Pérez Meirás, Maria Eugenia Pérez Ojeda, Diego Peña Gil, Andreas Hirsch
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-5lgjx
 
Subject: Chemistry
,
Review
, Title:

Scaling Low Temperature CO2-to-Syngas Electroreduction: Insights into Engineering Bottlenecks and Mitigation Strategies

, Authors: Senthilkumar Pachamuthu, Jing Gao, Adnan Ozden, Ulrich Legrand, Marco Favaro, Mark Isaacs, F. Pelayo García de Arquer, Catia Azenha, Adélio Mendes, Edward H. Sargent, Csaba Janáky, Michael Grätzel, Pablo Jiménez Calvo
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-pw37p
 
Subject: Chemistry
,
Working Paper
, Title:

Immersion Freezing at Topographic Active Sites: Dual-Barrier Prediction of Ice Nucleation Temperatures

, Authors: Ingrid de Almeida Ribeiro, Yuqing Qiu, Esteban Gadea, Atanu Metya, Valeria Molinero
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-1j5tn
 
Subject: Chemistry
,
Working Paper
, Title:

Light-Accelerated Iridium-Catalysed C-H Borylation

, Authors: Máire Griffin, Eric Slack, Eli Zysman-Colman
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-nqk71
 
Subject: Chemistry
,
Working Paper
, Title:

Key Structural Factors Governing the Photodynamic Activity of Phthalocyanines

, Authors: Magdalena Kozlikova, Mary Angelia Alfred, Miloslav Machacek, Fabienne Dumoulin, Andres de la Escosura, Tomasz Goslinski, Marie Halaskova, Jian-Dong Huang, Mei-Rong Ke, Saad Makhseed, Dariusz T. Mlynarczyk, Dennis K. P. Ng, Tomás Torres, Roy C. Wong, Petr Zimcik, Veronika Novakova
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-kf7n5
 
Subject: Chemistry
,
Working Paper
, Title:

Near-Infrared Luminescence from a Transparent CuSCN Thin Film via Ligand Coordination

, Authors: Saran Waiprasoet, Paul A. Hume, James M. Scott, Phattananawee Nalaoh, Pongkamon Prayongkul, Daniel M. Packwood, Justin M. Hodgkiss, David J. Harding, Pichaya Pattanasattayavong
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-nxkfc
 
Subject: Chemistry
,
Working Paper
, Title:

Novel C₂-Symmetric Chiral Bifunctional Primary Amine Catalysts: Design, Synthesis and Application in Asymmetric Aldol Reaction

, Authors: Xiao-Xiong Lv, Wen-Long Wang, Fei Chen, Chunbo Bo, Min Li, Ning Liu, Zhi-Hong Du
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-j45fp
 
Subject: Chemistry
,
Working Paper
, Title:

Dimensional Reduction of Perovskite-Derived Structures in Formamidinium-Rich Lead Iodide Compositions

, Authors: Takuya Ohmi, Wataru Taniguchi, Bhawna Bhawna, Tomoya Fukui, Yuki Haruta, Takayuki Nakanishi, Takanori Fukushima, Makhsud. I. Saidaminov, Masaki Azuma, Takafumi Yamamoto
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-w39ww-v2
 
Subject: Chemistry
,
Working Paper
, Title:

HCl as a bifunctional catalyst for the efficient construction of bioactive 2,7-dioxabicyclo[3.2.1]octane scaffold

, Authors: Dengke Ma, Chengyan Xie, Jun Tan, Jiyi Zhang, Yifei Zhang, Mingyang Xu, Haoran Zhu, Yueyue Fan, Yuji Wang
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-rqk0t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

2D correlation SERS of organic ions using AuNP films at electrified soft interfaces

, Authors: Madjid Tarabet, Yinxi Zou, Dyia Syaleyana Md Shukri, Noorfatimah Yahaya, Manuel Dossot, Gregoire Herzog
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-sfbp1
 
Subject: Chemistry
,
Working Paper
, Title:

White-light powered autonomous molecular ratchet drives PdII capsules out of equilibrium

, Authors: Lidón Pruñonosa Lara, Benedikt Bädorf, Maximilian J. Notheis, Gregor Schnakenburg, Stefan Grimme, Larissa K. S. von Krbek
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-ck3gw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computational prediction of Y-doped Cd2Sb2O7 as a competitive Sb-based n-type Transparent Conducting Oxide

, Authors: Peter Russell, Ke Li, Romain Claes, Alexander Squires, David Scanlon
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-c1r3l
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrafast and reversible adsorption of methylene blue on functionalized graphene for water purification

, Authors: Ludovica Ceroni, Samuel Pressi, Laura Calvillo, Ester Marotta, Enzo Menna
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-ld450
 
Subject: Chemistry
,
Working Paper
, Title:

Aptasensor Nanofilms for Ultrasensitive Cytokine Detection

, Authors: Jiyao Yu, Renan Colucci, Rachel X. Shi, Qi Lu, Ulrike Kraft, Christopher V. Synatschke, Tanja Weil
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-rk07f
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Quinolizidine-based 1,4-Azaphosphinines via Cyclization of (Phenylethenyl)Phosphinates

, Authors: Martin Kos, Tomáš Beránek, Jaroslav Žádný, Natálie Kochová, Karolína Václavíková, Illia Panov, Jan Storch, Ivana Císařová, Jan Sýkora, Vladimír Církva
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-skm1r
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating the Effect of Forces on the Morphogenesis of Intestinal Organoids in a Cell-based Vertex Model

, Authors: Niklas Weber, Sophia Kunz, Ute Schepers, Hermann Nirschl
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-z8hzq
 
Subject: Chemistry
,
Working Paper
, Title:

Distinct Kinetic Signatures of Photodesorption from Metal Nanoparticles

, Authors: Arik Beck, Michael Gordon, Phillip Christopher
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-c12rl
 
Subject: Chemistry
,
Working Paper
, Title:

Comprehensive curation and harmonization of small molecule MS/MS libraries in Spectraverse

, Authors: Vishu Gupta, Hantao Qiang, Hsin-Hsiang Chung, Ehud Herbst, Michael Skinnider
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-4pzxn
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating lithium plating texture within anode-free solid-state batteries

, Authors: Zhou LI, Daren Wu, Simon Ji, Ana Claus, Hui Zhong, Sanjit Ghose, Kelsey Hatzell
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-d9k7r
 
Subject: Chemistry
,
Working Paper
, Title:

Phases and Architectures in Metal/Metal Oxide Systems Driven by Strong Metal-Support Interactions

, Authors: Jordi Morales-Vidal, Zan Lian, Thaylan Pinheiro Araújo, Sharon Mitchell, Javier Pérez-Ramírez, Núria López
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-8x3hx
 
Subject: Mathematics
,
Working Paper
, Title:

Hierarchical Differential Algebraic Closure Framework for the General N-Body Problem: A Comprehensive Symbolic-numeric Approach with Explicit Complexity Bounds

, Authors: dongqi liu, shifa liu
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-r8nx1
 
Subject: Chemistry
,
Working Paper
, Title:

A Straightforward and Versatile Synthetic Route to Tunable Cyclic Lipopeptides for Fluorescent Echinocandin Analogues

, Authors: Mylène Lang, Stéphanie Riché, Lucie Brendel, Clémentine Leger, Romain Hany, Halina Anton, Dominique Bonnet, Alina Marcela Sabou, Line Bourel
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-hsn4w
 
Subject: Chemistry
,
Working Paper
, Title:

Diffusive Association Kinetics Models

, Authors: Jixin Chen
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-w7rts
 
Subject: Chemistry
,
Review
, Title:

Classical Machine Learning vs Quantum Machine Learning in Computational Chemistry: Hype, Hope, and Horizons

, Authors: Samrat Chakraborty
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-71814
 
Subject: Computer Science
,
Working Paper
, Title:

FedHTS: Federated Human-Centric Traffic System with Multimodal Adaptation and Standardized Evaluation

, Authors: Suhbatur Odu, Tergel Soyol
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-zls2q
 
Subject: Computer Science
,
Working Paper
, Title:

Federated Learning for Human-Centric ITS: Integrating Multimodal Interaction and Cross- Regional Adaptation

, Authors: Suhbatur Odu, Tergel Soyol
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-088dm
 
Subject: Computer Science
,
Working Paper
, Title:

Privacy-Preserving Human-Centric Traffic Management: A Federated Multimodal Framework with Standardized Evaluation

, Authors: Suhbatur Odu, Tergel Soyol
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-91d08
 
Subject: Computer Science
,
Working Paper
, Title:

Cross-Regional Adaptable ITS with Federated Learning: Enhancing Human-Centric Interaction and Technical Efficiency

, Authors: Suhbatur Odu, Tergel Soyol
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-zrbbz
 
Subject: Mathematics
,
Working Paper
, Title:

Quantum Geometry as Gravity Proxy: Curvature of Logical Error Manifolds Mirrors Spacetime Ricci Scalar in Simulated Toy Models

, Authors: Udo Granops
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-r5mql
 
Subject: Materials Science
,
Working Paper
, Title:

Category-Theoretic Control Theory: Differentiable Monoidal Dynamics for Trainable Quantum Generators

, Authors: Udo Granops
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-mqqfp
 
Subject: Mathematics
,
Working Paper
, Title:

Topological Quantum Metrology: Measuring Entanglement Topology via Persistent Homology with Quadratic Scaling

, Authors: Udo Granops
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-xlzj5
 
Subject: Mathematics
,
Working Paper
, Title:

Exact Strip-to-Disk Transport: Weight-Jacobian Cancellation and Local Kernel Bounds

, Authors: Sebastian Dettmers
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-hlqnh
 
Subject: Mathematics
,
Working Paper
, Title:

Aliasing and Entanglement in the Riemann Zeta Function: A Signal Processing Framework for Zero Formation

, Authors: Sebastian Dettmers
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2024-htt7d-v4
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

AI-assisted Living Evidence Databases for Conservation Science

, Authors: Sadiq Jaffer, William Morgan, Sam Reynolds, Alec Christie, Anil Madhavapeddy, William Sutherland
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-rmsqf
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The seven-dimensional universe

, Authors: Sasidhar Kesanasetty
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2022-68929-v60
 
Subject: Psychology
,
Working Paper
, Title:

Consciousness as a Conserved Continuum: The Two-Particle Quantum Bonding Hypothesis and a Biophysics of Mind Viruses

, Authors: K. L. Senarath Dayathilake
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.33774/coe-2025-x69cs
 
Subject: Chemistry
,
Working Paper
, Title:

From Beakers to Bytes: Educating the Hybrid Chemists — A Chemistry Education Perspective on Integrating Wet and Dry Labs A Call for Hybrid Skills in the Next Generation of Chemist

, Authors: Samrat Chakraborty
Version undefined posted 13 October 2025
Posted
Oct 13, 2025
10.26434/chemrxiv-2025-4b720
 
Subject: Chemistry
,
Working Paper
, Title:

The free energy landscape of Li- and Na-ion transport in nanoconfinement with machine learning interatomic potentials

, Authors: Sauradeep Majumdar, Swagata Roy, KyuJung Jun, Miguel Steiner, Rafael Gómez-Bombarelli
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-rt6s2
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-Metal Cooperative Oxidative H2O Addition Supported by Dihydrogen Bonding and Lewis Acid Interaction

, Authors: Roland A. Schulz, Anton Römer, Niclas J. A. Werthmann, Dennis-Helmut Manz, Sebastian Dechert, Michael John, Ricardo A. Mata, Franc Meyer
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-sxlh9
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Activity Trade-Off between Tetrapyrrolic Fe-NCs and Co-NCs in the Alkaline Oxygen Reduction Reaction

, Authors: Arielle Rieck, Jian Liang Low, Simon Dietzmann, Jörg Radnik, Zahra Teimouri, Drew Higgins, Dan- Vasile Hodoroaba, Asad Mehmood, Tim-Patrick Fellinger
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-s59s5
 
Subject: Chemistry
,
Working Paper
, Title:

Scaffold-Aware Machine Learning QSAR Models for Adenosine A2A Receptor Ligands: Addressing Overfitting Through Rigorous Validation

, Authors: mohamed el belghiti alaoui
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-g9400
 
Subject: Chemistry
,
Working Paper
, Title:

Uncertainty in MD-Derived Diffusion Coefficients Depends on Analysis Protocol, Not Just Simulation Data

, Authors: Benjamin Morgan, Andrew McCluskey
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-gdbv9-v2
 
Subject: Chemistry
,
Review
, Title:

Calibrated fMRI and Advanced MRS Methods for Assessing Metabolic Dysfunction and Neuropathology in Alzheimer’s Disease

, Authors: William Wang
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-0qb6b
 
Subject: Chemistry
,
Working Paper
, Title:

Hybridizing Three-coordinated and Tetra-coordinated Boron Structures for Multi-Resonance Emitters with Narrowed Emission, Steric Hindrance and Accelerated Reverse Intersystem Crossing

, Authors: Tianjiao Fan, Qiwei Liu, Qian Peng, Dongdong Zhang, Lian Duan
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-6j0v1
 
Subject: Chemistry
,
Working Paper
, Title:

Suppressing SEI growth for Al foil anode under a low stack pressure with solid polymer electrolytes

, Authors: Dong Gyu Lee, Baoling Huang, Qing Chen
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-4vpbt
 
Subject: Chemistry
,
Review
, Title:

When aggregation becomes the norm: interpreting experiments beyond their molecules

, Authors: Alex Blokhuis, Yannick Geiger, Sijbren Otto
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-6pl69
 
Subject: Chemistry
,
Working Paper
, Title:

Cold argon plasmas for non-enzymatic digestion of proteins and peptides

, Authors: Dan McGill, Daniel Simon, Siva Ramadurai, Felicia Green, Zoltan Takats
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-g8sqf
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Growth of (6,5)- and (9,8)- Enriched Single-walled Carbon Nanotubes

, Authors: Zihan Xu, Xinrui Zhang, Chi Xu, Yanzhao Liu, Cheng Li, Lu Deng, Zeyao Zhang, Yan Li
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-40k8p
 
Subject: Chemistry
,
Working Paper
, Title:

BisBF2 pyridoins: A new platform for the design of efficient two-photon absorbers

, Authors: Patryk Rybczyński, Manuela Grelich-Mucha, Elizaveta F. Petrusevich, Damian Plażuk, Liliana Dobrzańska, Borys Osmialowski, Joanna Olesiak-Bańska
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-5m78q
 
Subject: Chemistry
,
Working Paper
, Title:

High-Conductivity Electrolytes Screened using Fragment- and Composition-Aware Deep Learning

, Authors: Xiangwen Wang, Muyang Chen, Gengyi Bao, Lai Yan, Jinghe Gao, Xinhua Liu, Rui Tan
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-0jfq3
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing Alkaline-earth Metal Reactivity: Mechanistic Insights into Alkene and Alkyne Functionalization via Organomagnesium(II) and Organobarium(II) Catalysis

, Authors: Yumiao Ma
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-28lb3
 
Subject: Chemistry
,
Working Paper
, Title:

Is all lithium created equal? Effects of processing conditions on lithium microstructure and battery performance

, Authors: Ethan Self, Wan-Yu Tsai, Yan-Ru Lin, Till Fuchs, Kyra Owensby, Christian Lerch, Sinje Burberg, Katie Browning, Erik Herbert, Xi Chen, Jürgen Janek, Andrew Westover
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-pjttm
 
Subject: Chemistry
,
Working Paper
, Title:

Large-Language-Model-Assisted Microbial Source Tracking Reveals Mechanisms of Tropical Cyclone Impacts on Microbial Water Quality in Coastal Environments

, Authors: Van-Khuong Trinh, Sungyoon Jung, Elise Morrison, Palash Sashittal, Chamteut Oh
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-8cpbm
 
Subject: Chemistry
,
Working Paper
, Title:

Ambiphilic cross-coupling

, Authors: Byeongdo Roh, Benedict Alexander Williams, Josep Cornella
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-74b8f
 
Subject: Chemistry
,
Working Paper
, Title:

Knowles Partitioning from a Stationary Condition: Single- and Multireference case

, Authors: Agnes Szabados, András Gombás, Péter Surján
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-b3gsr
 
Subject: Chemistry
,
Working Paper
, Title:

Low-Temperature Synthesis of Luminescent Ag-In-Zn-S Quantum Dots for Device-Grade Semiconductor Inks

, Authors: Apostolos Kalafatis, Spyros Orfanoudakis, Kostas Karaslanidis, Thomas Stergiopoulos
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-r8rx4
 
Subject: Chemistry
,
Working Paper
, Title:

Advancing Ca isotopic analysis: Direct measurement of 44Ca/40Ca isotopic composition by MC-MICAP-MS with nitrogen plasma

, Authors: Anika Retzmann, Michael Wieser
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-9glxl
 
Subject: Chemistry
,
Working Paper
, Title:

Morphological Anisotropy in Supramolecular Polymers from an AIE-Active Phenylalanine Derivative: The Critical Role of Solvent Microheterogeneity

, Authors: Ravindra Vishwakarma, Aditya Prasun, Tridib K. Sarma
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-hxs16
 
Subject: Chemistry
,
Working Paper
, Title:

Tailoring reconstruction of Co/Cu mixed oxide-derived tandem electrocatalysts via in situ electrochemical dissolution-redeposition for enhanced nitrate-to-ammonia conversion

, Authors: Manuel E. G. Winkler, Rafael G. Yoshimura, Pâmella S. Rodrigues, Matheus P. Sales, Kauan L. Gomes, Itamar T. Neckel, Santiago J. A. Figueroa, João B. Souza Jr, Edson A. Ticianelli, Nirala Singh, Fabio H. B. Lima, Serhiy Cherevko, Raphael Nagao
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-0nfq8
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting PROTAC-Mediated Ternary Complexes with AlphaFold3 and Boltz-1

, Authors: Nils Dunlop, Francisco Erazo, Farzaneh Jalalypour, Rocío Mercado
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-gfd6c-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insights into Supercapacitive Swing Adsorption via Acid-Base Titrations

, Authors: Fareed Khan, Kai Landskron
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-vl4dh
 
Subject: Chemistry
,
Review
, Title:

α-Ketoamides-based Covalent Inhibitors in Drug Discovery: Current Status and Synthetic Methods

, Authors: Ho Ying Huang, Nicolas Moitessier
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-jm50c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Snapshot Of Flavin-Conjugated Pt Anticancer Agents: Pt(IV)-To-Pt(II) Reduction Revealed By X-Ray Fluorescence Imaging And XANES

, Authors: Esteban Zingales, Juan Sanchez-Camacho, Jessica Walker, Luca Salassa, Carlos Sanchez-Cano
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-chsfq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction

, Authors: Matthew S. Johnson, Hao-Wei Pang, Anna C. Doner, William H. Green, Judit Zador
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2024-vbh8g-v3
 
Subject: Chemistry
,
Working Paper
, Title:

pH-dependent Scaling Relations and Ion Insertion Promote Bifunctional Oxygen Electrocatalysis on MnO2

, Authors: Evan Zoltan Carlson, Karina Masalkovaite, Jaeheon Lee, Md Delowar Hossain, Xiao Zhao, Paul McIntyre, Bryan McCloskey, Hendrik Ohldag, William Chueh, Michal Bajdich, J. Tyler Mefford
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-7r9k6
 
Subject: Chemistry
,
Working Paper
, Title:

SynFrag: Synthetic Accessibility Predictor based on Fragment Assembly Generation in Drug Discovery

, Authors: Xiang Zhang, Jia Liu, Bufan Xu, Zihan Zhang, Zifu Huang, Kaixian Chen, Dingyan Wang, Xutong Li
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-33251
 
Subject: Chemistry
,
Working Paper
, Title:

Repurposing an antifungal drug as an effective insulin aggregation inhibitor

, Authors: Anirban Das, Nihar Ranjan Dalabehera, Suman Pahal, Praveen Vemula, Ishu Saraogi
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-lwkph
 
Subject: Chemistry
,
Working Paper
, Title:

Advancing Standard MP2 and RI-MP2 Limits on Moderate Workstations: Efficient Algorithms for Larger Molecular Systems

, Authors: Lin Shen, Zhigang Ni
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-lcgf0
 
Subject: Chemistry
,
Working Paper
, Title:

Regio- and Stereocontrolled Synthesis of a Heterocycle Fragment Collection using Palladium Catalyzed C–H Arylation

, Authors: Amalia-Sofia Piticari, Daniele Antermite, Harry J. Linkhorn, Natalia A. Larionova, Matthew P. Webster, James A Bull
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-gjwmn
 
Subject: Chemistry
,
Working Paper
, Title:

Theoretical design of novel selenium-substituted meso-aryl-BODIPYs as singlet-oxygen photosensitizers with biomedical applicability

, Authors: Mónica Moral, Antonio Fernández, Luis Manuel Frutos-Gaite, Andrés Garzón-Ruiz
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-rd0jx
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidative Cleavage of beta-Substituted Primary Alcohols in Flow

, Authors: Michael Tapera, Athanasios Savvidis, Cedric Meysing, Adrián Gómez-Suárez, Stefan Kirsch
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-gmmz1
 
Subject: Chemistry
,
Working Paper
, Title:

Iron Oxide-Derived LiFePO4: Controlled Phase Evolution for Scalable, Low-Cost Cathode Manufacturing

, Authors: Jiuling Yu, Xingyu Zhang, Xinyue Liu, Ahmed Al-Obeidi, Mel Luetkens, Yanying Lu, Tianyu Zhu
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-9z96t
 
Subject: Chemistry
,
Working Paper
, Title:

FrAncestor A Multi-Dimensional Toolkit for Fragment Library Design and Optimisation

, Authors: Peter E.G.F. Ibrahim, Duncan Scott, Ian H. Gilbert, Michael J. Bodkin
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-rz15c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Open source pressure vessel blowdown modelling under partial phase equilibrium

, Authors: Anders Andreasen, Carsten Stegelmann
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-00xzc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Porphyrin-acene Dyads for Controlled Singlet Oxygen Generation and Depletion

, Authors: Natalia Dutkiewicz, Maciej Majdecki, Barbara Golec, Ireneusz Wielgus, Przemyslaw Gawel, Aleksander Gorski
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-zczql-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Redox-Switchable Halogen Bonding in Haloanthracene Mediators Enables Efficient Electrocatalytic C–N Coupling

, Authors: Atsuki Hirama, Kayo Suda, Shohei Yoshinaga, Moto Kikuchi, Su-Gi Chong, Azusa Kikuchi, Yusuke Ishigaki, Daisuke Yokogawa, Mahito Atobe, Naoki Shida
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2022-sggqd-v2
 
Subject: Chemistry
,
Review
, Title:

The structural basis for the selectivity of sulfonamide-based inhibitors of carbonic anhydrase isoforms IX and XII: A comprehensive review of the crystallographic data

, Authors: Sarfraz Ahmad, Muhammad Usman Mirza, Mamoona Nazir, Lee Yean Kee, Noorsaadah Binti Abdrahman, Iskandar Abdullah, John Trant
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-sh383-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Modeling of Bitter Taste Receptors Employing A Multi-Template Homology Approach for Ligand Development: The TAS2R14 Case Study Validated Against CryoEM Structures

, Authors: Muhammad Usman Mirza, Purshotam Sharma, Teagan Kukhta, John Trant
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-p321h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Berry flux control enabled selectivity switching in electrocatalytic CO2 reduction by chiral antiferromagnets

, Authors: Yugang Gao, Ning Mao, Changjiang Yi, Chandra Shekhar, Xiaodong Li, Walter Schnelle, Horst Borrmann, Paul Simon, Edouard Lesne, Fabian Roman Menges, Yang Zhang, Claudia Felser, Xia Wang
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-688z3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Stability of Asparagine-Derived N,N´–Amidals and N,N´–Hemiamidals

, Authors: Filip Kalcic, Nicolas Malzer, Miklos Robkis, Jeffrey Bode
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-8fpxz
 
Subject: Chemistry
,
Working Paper
, Title:

Marker-Free Classification of Melanoma Cells by Machine Learning Following Their Isolation From Peripheral Blood by Dielectrophoresis

, Authors: Benjamin Schelske, Brittany Ginnaty, Han Chen, Josué Rodriguez, Robbyn Anand
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-z6k68
 
Subject: Chemistry
,
Working Paper
, Title:

Gated Quantum Resonator V: The Logic Vortex and Shield Environs — A Logic–Statistics–Physics Synthesis

, Authors: James R F SUTTON
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-tng08
 
Subject: Chemistry
,
Working Paper
, Title:

Thermoformable Solid Electrolytes for All-organic Sodium Solid State Batteries

, Authors: Dong-Min Kim, Gan Chen, Michael Baird, Youngmin Ko, Carson Zellmann-Parrotta, Jiwoong Bae, Zhaoyang Chen, Yan Yao, Ying Chen, Brett Helms
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-rw74w
 
Subject: Chemistry
,
Working Paper
, Title:

AI-Driven μPAD Glucose Analysis via Indoor and Outdoor Smartphone Imaging with Flash Control

, Authors: Ece Yıldız, Mustafa Şen
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-69031
 
Subject: Chemistry
,
Working Paper
, Title:

Microscopic Intricacies of Self-Healing in Halide Perovskite-Charge Transport Layer Heterostructures

, Authors: Tejmani Behera, Boris Louis, Lukas Paesen, Roel Vanden Brande, Koki Asano, Martin Vacha, Maarten Roeffaers, Elke Debroye, Johan Hofkens, Sudipta Seth
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-5gbh4
 
Subject: Chemistry
,
Working Paper
, Title:

Pump-Induced Dipolar Order to Evaluate Electron Spin Coupling Networks and Many-Body Effects

, Authors: Joshua Straub, Asif Equbal, Quentin Stern, Songi Han
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-vzj64
 
Subject: Chemistry
,
Working Paper
, Title:

Hydroxyl Radical Photoredox Catalysis in Hypoxic Cancer Cells

, Authors: Nicolás Montesdeoca, Hung Manh Tran, Steffi Krause Hinojosa, Henrik Sielhorst, Jacqueline Heinen-Weiler, Johannes Karges
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-gr5gf
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Colloidal A2BF6 (B = Zr4+, Ti4+, Si4+) Nanocrystals: Controlling Composition and Morphology

, Authors: Eden Tzanetopoulos, Julie Schwartz, Daniel R Gamelin
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-x2298
 
Subject: Chemistry
,
Working Paper
, Title:

A Versatile Method for Synthesizing Colloidal Cr3+-Based Fluoride Nanocrystals: Near-IR-Emitting Cs2NaCrF6, Na3CrF6, and Yb3+-Doped Cs2NaCrF6

, Authors: Eden Tzanetopoulos, Daniel R Gamelin
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-xfhnc
 
Subject: Chemistry
,
Working Paper
, Title:

GQR VI: Anomalies, Resonance, and Coherence Across Physics, Chemistry, Biology, and Medicine Toward a Unified Interpretation

, Authors: James R F SUTTON
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-v87nt
 
Subject: Chemistry
,
Working Paper
, Title:

GQR 7: Tunnelling Rates, Speeds, and Flux Dynamics Mapping Quantum Mechanics to the Gated Resonator Grammar

, Authors: James R F SUTTON
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-8hm75
 
Subject: Chemistry
,
Working Paper
, Title:

First identification of trigonelline in Guaiacum Officinale fruit and its dengue protease inhibition activity

, Authors: Sadia Shoukat, Farooq Saleem, Saima Maher, Muhammad Saeed, Arshad Ali Shah, John Trant, M. Usman Mirza, Sarfraz Ahmad
Version undefined posted 14 October 2025
Posted
Oct 14, 2025
10.26434/chemrxiv-2025-llw6b
 
Subject: Chemistry
,
Working Paper
, Title:

Quaternary Ammonium Compounds (QACs) in Textiles and Laundry Wastewater: Occurrence and Environmental Risk Assessment

, Authors: Xiaoyuan Guo, Chen Wang, Xinrui Leng, Li Li, Yao Cheng, Guomao Zheng
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-5h0hf
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical proteomics reveal the inventory of pyrroloquinoline quinone binding proteins in bacteria

, Authors: Tao Wang, Rahel Mühlhofer, Andreas S. Klein, Cathleen Zeymer, Stephan A Sieber
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-j29s0
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling Electroorganic Reactions by Tracking Intermediates via Spectroelectrochemistry in a Thin Layer Electroanalysis Microchip

, Authors: Ji Yong Kim, Sujeong Park, Samuel Jaeho Shin, Taek Dong Chung
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-tpn8c
 
Subject: Chemistry
,
Working Paper
, Title:

Chemo-enzymatic Total Synthesis and Combinatorial Biosynthesis of Maculalactones

, Authors: Xiaoqi Ji, Manuel Einsiedler, Paul D'Agostino, Renato Weiße, Norbert Sträter, Jennifer Herrmann, Rolf Müller, Tobias Gulder
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-q8zrx
 
Subject: Chemistry
,
Working Paper
, Title:

Structural characterization of rare-earth chain-based metal—organic frameworks with a pyrene linker and their performance in the detoxification of a mustard gas simulant

, Authors: Victor Quezada-Novoa, Maxwell W. Terban, Laure-Anne Dubuc-Kanary, Artem Schevchenko, Lavinia A. Trifoi, Christopher Copeman, Pierre Le Magueres, Robert E. Dinnebier, Ashlee J. Howarth
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-w9vzj
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrafast Dynamics and Excited-State Trapping in [3.3]Paracyclophane

, Authors: Muhammad Tahir Hafeez, Rafael Souza Mattos, Lea Maria Ibele, Mario Barbatti
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-b03q4
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling the Mechanism of Pd-catalyzed γ-methylene C(sp3)-H Arylation of Carboxylic Acids

, Authors: Zhewei Li, Yanhui Tang, Ming Lei
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-pw2b9
 
Subject: Chemistry
,
Working Paper
, Title:

The odd-even alkyl chain effect on the structure and optoelectronic properties of alkyl-substituted perylene diimide (PDI) derivatives at highly strained environments

, Authors: Paulina Ratajczyk, Szymon Sobczak, Michał Andrzejewski, Przemysław Woźny, Lucia Maini, Andrzej Katrusiak
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-2fjc9
 
Subject: Chemistry
,
Working Paper
, Title:

Ni-Catalyzed Asymmetric Reductive Arylation and Alkenylation of N-Sulfonyl imines

, Authors: Yu-cheng Liu, Jia-Yue Li, Li-Wei Hu, Lun Li, Yu-Long Li, Jiajia Chen
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-336d9
 
Subject: Chemistry
,
Working Paper
, Title:

A highly efficient access to new antibacterial actinonin derivatives via Ugi four-component reaction

, Authors: Manuela Zouatom, Tianji Zhou, André Schultz, Nathalie Bachmann, Carsten Degenhart, Michael Dal Molin, Uwe Koch, Jan Rybniker, Bert Klebl, Julia Elisabeth Bandow, Jürgen Scherkenbeck
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-kf42k
 
Subject: Chemistry
,
Working Paper
, Title:

Motor-Triggered Circularly Polarized Luminescence Reversibly Turned Upside Down by Light and Heat

, Authors: Louis Hardoin, Eric Sidler, John Y. de Boer, Gaétan Delhaye, Matthieu Loumaigne, Magali Allain, Sébastien Goeb, Alexander Ryabchun, Marc Sallé, Denis Jacquemin, Ben L. Feringa, David Canevet
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-pq5jk
 
Subject: Chemistry
,
Working Paper
, Title:

Closed-Loop Discovery of H Spillover-Driven CO2 Reduction in Acidic Electrolyte by Phosphine-Modified Cu

, Authors: Yan Shen, Jiafeng Du, Wenwen Wang, Yu Ling, He Lin, Zhipeng He, Ruqin Ma, Teng Zhang, Lingzhen Zeng, Yibin Jiang, Yuming Su, Cheng Wang
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-51tv8
 
Subject: Chemistry
,
Working Paper
, Title:

Vibrational Strong Coupling in Cavity QED forms a Macroscopic Quantum State

, Authors: Elious Mondal, Sebastian Montillo Vega, Pengfei Huo
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-llc4k
 
Subject: Chemistry
,
Working Paper
, Title:

Enantiopure SPINOL Based Dinuclear Borane for the Stereoselective Polymerization of Propylene Oxide

, Authors: Yufei Ma, Yibo Gao, Xinhui Kou, Quan Gao, Limin Wu, Xiaowu Wang
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-glc8p
 
Subject: Chemistry
,
Working Paper
, Title:

Backbone Confinement and Aromatic Substitutions Direct Supramolecular Dynamics in Tripeptides

, Authors: Kuntrapakam Hema, Hamish Swanson, Elma Naranjo, Avishek Dey, Crisol Aguirre Ortiz, Michelle Neary, Denize Favaro, Tong Wang, Xi Chen, Rein Ulijn
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-q6wqd
 
Subject: Economics
,
Working Paper
, Title:

Development of “JOB Labor Market Card Game”, an Instructional Tool in Labor Economics Course

, Authors: Jameson Estrada, Lim Seong Seong Pek
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.33774/coe-2025-sh4j2
 
Subject: Chemistry
,
Working Paper
, Title:

Singlet-Fission Dynamics Modified through Templated Organic Semiconductor Crystallization

, Authors: Rachel Dziatko, Meagan Phister, Xubo Wang, Karl Westendorff, Ashley Conley, Yuqi Song, Luke O'Connor, Neal Haldar, Kevin Stone, Christopher Paolucci, Joshua Choi, Lan Cheng, Gaurav Giri, Arthur Bragg
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-p7sc7
 
Subject: Chemistry
,
Working Paper
, Title:

Radical stabilization in organic flow batteries enabled by chirality

, Authors: Mark Carrington, Kirya Miller, Nikolay Tkachenko, Ainsley Clark, Guodong Rao, H.T. Katie Chung, Scott Virgil, Alice Tao, Xavier Lem, Patrick Smith, Nicholas Settineri, Brett Helms, R. David Britt, Martin Head-Gordon, F. Dean Toste
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-vbw2s
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Models and a Web Portal for Predicting Cytochrome P450 Activity

, Authors: Enes Kelestemur, Holli-Joi Martin, Pranav Shah, James Wellnitz, Xin Xu, Alexey Zakharov, Alexander Tropsha, Eugene Muratov
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-5zkgc
 
Subject: Chemistry
,
Working Paper
, Title:

Identification, Precursors, and Formation Mechanisms of Chloroguaiacols in Drinking Water

, Authors: Jiafu Li, Yan Shen, Jingsi Chen, Xiaoxiao Zhang
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-h8mhw
 
Subject: Chemistry
,
Working Paper
, Title:

Using electrolyte solvent embeddings to guide battery electrolyte discovery

, Authors: Ritesh Kumar, Ke-Hsin Wang, Chibueze Amanchukwu
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-7nnbl
 
Subject: Chemistry
,
Working Paper
, Title:

The stability and electronic structure of anti-MXenes

, Authors: Linh La, Salvy Russo, Truyen Tran, Svetha Venkatesh, Sherif Abdulkader Tawfik
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-jh8mx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Probing Coherent Aggregate Exciton Energy Transfer in Organic Dopant Systems

, Authors: Aoyuan Cheng, Xiaoyu Chen, Jintian Xu, Hao Su, Xiaolong Zhang, Pieter E. S. Smith, Baicheng Zhang, Wenhuan Huang, Guozhen Zhang, Yang Zhang, Zhenchao Dong, Yi Luo, Guoqing Zhang
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-jbqfp
 
Subject: Chemistry
,
Working Paper
, Title:

Dipole-Directed Nanoporous Networks on Surfaces

, Authors: Huanjing Luo, Andrea Minoia, Vipin Mishra, Dariane Fadoras, Filippo Giovanni Fabozzi, Roberto Lazzaroni, Stefan Hecht, Kunal Mali, Steven De Feyter
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-7nmr6
 
Subject: Chemistry
,
Working Paper
, Title:

Architecting Redox-Active Framework Interfaces for Synergistic Sulfur Adsorption and Catalysis in Lithium–Sulfur Batteries

, Authors: Kai Sun, Tsukasa Irie, Kohki Sasaki, Mika Nozaki, Tokuhisa Kawawaki, Yujun Fu, Dequan Liu, Saikat Das, Deyan He, Yuichi Negishi
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-mk6ph
 
Subject: Chemistry
,
Working Paper
, Title:

Nanotip Acetylcholine Biosensor Reveals Cholinergic Differentiated SH-SY5Y Cells Release Partial Vesicle Content During Exocytosis

, Authors: Ann-Sofie Cans, Yuanmo Wang, Ajay Pradhan, Pankaj Gupta, Jörg Hanrieder, Henrik Zetterberg
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-pn75l
 
Subject: Chemistry
,
Working Paper
, Title:

Innovative electrochemical synthesis of Portland cement precursor (Ca(OH)₂) with machine learning-enabled predictive insights

, Authors: Yan-He Wang, Guo-Ming Weng
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-pb3k8
 
Subject: Chemistry
,
Working Paper
, Title:

Length vs Velocity Gauge Formulation of the Frequency-Dependent Polarizability for 1D Periodic Systems at Coupled Cluster with Single and Double Excitations Level

, Authors: Taylor Parsons, Marco Caricato
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-9c3p4
 
Subject: Chemistry
,
Working Paper
, Title:

Genetically encoded sterol-modification of a synthetic intrinsically disordered protein leads to diverse self-assembly behavior

, Authors: Sarah Kim, Taranpreet Kaur, Yulia Shmidov, Matthew Wang, Lixin Fan, Abigail Leo, Yan Xiang, Daniel Reker, Ashutosh Chilkoti
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-5zcxx
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insights into Aerobic C(sp³)-H Hydroxylation: A Catalytic Reaction or Not

, Authors: Changming Li, Zengwei Wang, Qian Peng
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-85t3c
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery and Synthesis of Flueggeacosines D–F and Securingine J

, Authors: Chungwoo Lee, Si Hyeon Chae, Gyumin Kang, Eric Jaewon Lee, Ki Hyun Kim, Sunkyu Han
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-m2q6c
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning generalised DFT+U projectors in a numerical atom-centred orbital framework

, Authors: Amit Chaudhari, Kushagra Agrawal, Andrew Logsdail
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-332z0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation of machine learning models for condition optimization in diverse amide coupling reactions

, Authors: Abhinav Sai Chalasani, Sourodeep Deb, Aarav Anand, Yuhan Li, Robert Downing, Edward Njoo
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-s9391
 
Subject: Chemistry
,
Working Paper
, Title:

Fragment to Framework: Automatic Fragmentation of Covalent Organic Frameworks into Building Blocks for Band Gap Analysis

, Authors: Michelle Ernst, Rostislav Fedorov, Alessandro Calzolari, Catherine Mollart, Fabian F. Grieser, Sophia Ber, Ganna Gryn'ova
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-zbc8x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Power-Series Representation and Operator Formalism of Reaction Rates in Chemical Kinetics with Physical Interpretation

, Authors: Jia Qiu
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-hxbm5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating Transformation Pathways of Microcystins during Advanced Oxidation/Reduction Processes for Water Treatment

, Authors: Sofia Iliakopoulou, Theodoros M. Triantis, Maria Antonopoulou, Christine Edwards, Linda A. Lawton, Giovanni Andrea Vitale, Abzer K. Pakkir Shah, Daniel Petras, Anastasia Hiskia, Triantafyllos Kaloudis
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-q4xh3
 
Subject: Chemistry
,
Working Paper
, Title:

Short-range machine-learning potentials for aqueous electrolyte solutions

, Authors: Christopher J. Stein, Lisa Hetzel
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-2jdsh
 
Subject: Chemistry
,
Working Paper
, Title:

Integrated In Silico Drug Design and QSAR Modelling of BACE1 Inhibitors for Alzheimer’s Disease Therapeutics

, Authors: ABHISHEK S R, Shanmugha Priya VG
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-mhfwq
 
Subject: Chemistry
,
Working Paper
, Title:

Interplay of Intramolecular Charge Transfer and Exciton States in pi-Extended Triptycenes Enhances Mid-Spectrum Absorbance Intensity and Fluorescence Quantum Yields

, Authors: Stefan Warrington, Hristo Gonev, Gary Nichol, Eleanor Dodd, Simon Coles, Thomas Penfold, Marc Etherington, Tracey Clarke, Iain Wright
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-7lwc5
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerating SCF Orbital Optimization with S-GEK/RVO: Efficient Subspace Compression and Robust Convergence

, Authors: Ignacio Fernández Galván, Daniel Weßling, Roland Lindh
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-q701c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Simulation Of Biodiesel From Waste Cooking Oil (WCO) In Aspen Hysys And Its Optimization Study

, Authors: Tejas Bhurse
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-7d165-v3
 
Subject: Chemistry
,
Working Paper
, Title:

DeepChem-DEL: An Open Source Framework for Reproducible DEL Modeling and Benchmarking

, Authors: Aryan Amit Barsainyan, Riya Singh, Abhiraj Pravin Mengade, Rida Irfan, Bharath Ramsundar
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-f11mk
 
Subject: Chemistry
,
Review
, Title:

Overview of modern methods for nanoparticle production

, Authors: Anton Kalinin, Evgenia Gerasimovskaya
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-r5wb3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

From Punchlines to Politics: The Joe Rogan Experience as a Case Study of the Politicization of Apolitical Spaces in the U.S.

, Authors: Huma Rasheed, Liam Cuddy, Brooke Molokach, Jiwon Nam, Scarlett Feuerstein, Lance Holbert, Dannagal Young
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.33774/apsa-2025-v05hb
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Elephant Graveyard: Game Theory Analysis of Chinese Investment in Africa

, Authors: Samuel Haendel
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.33774/apsa-2025-62brn
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Comparative Politics and the New Area Studies

, Authors: Jordan Gans-Morse, Daniel W. Gingerich, Thomas B. Pepinsky
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.33774/apsa-2025-0z77l
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidation of Mononuclear Fe Photocatalysts for Visible Light-Induced Bond Homolysis (VLIH)

, Authors: Jung-Ying Lin, Ernesto R. Lopez, Aliyeh Mehranfar, John Bacsa, Laura K.G. Ackerman-Biegasiewicz
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-djp0r
 
Subject: Chemistry
,
Working Paper
, Title:

Field Effects Govern the Decarboxylation of Copper(II)-Benzoates: Kinetic and Mechanistic Studies

, Authors: Shannen Lorraine, Andreas Baur, Natalie Taylor, Brian Dolinar, Jessica Hoover
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-vftv5
 
Subject: Chemistry
,
Working Paper
, Title:

Photoconversion of nitrogen to ammonia by peptidophotocatalyst

, Authors: Yuanzhi Zhong, Lihua Mo, Ying Yi, Na Qiao, Yu Zhang, Ling Wang, Yan Xiong, Xiao-Yi Yi, Zhimou Yang
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-p3sgc
 
Subject: Chemistry
,
Working Paper
, Title:

Gated Quantum Resonator, Manuscript 2: Funnel–Field Synergy Drives Quantum Tunneling Catalysis toward Proof-of-Resonance

, Authors: James R F SUTTON
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-6ng5j
 
Subject: Chemistry
,
Working Paper
, Title:

Frustrated Lewis Pair Reactivity of Bis(1-methyl-ortho-carboranyl)borane

, Authors: Kanika Vashisth, Caleb Martin
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-hz716
 
Subject: Chemistry
,
Working Paper
, Title:

GQR IV: A Quantum Shield Law for Coherence and Tunnelling

, Authors: James R F SUTTON
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-q91pt
 
Subject: Chemistry
,
Working Paper
, Title:

Gated Quantum Resonator, Manuscript 3: Aperture–Lens Grammar, Tilt (B) Variants, and Catalytic Quantum Microscopy From tunneling “buzz” to prismatic steering and CQ-TEM design

, Authors: James R F SUTTON
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-ctb1v
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Investigations on the role of Excited state Aromaticity during Photochemical Ring Opening Reaction

, Authors: Debabrata Halder, Arnab Roy, Ankan Paul
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-h2pbh
 
Subject: Chemistry
,
Working Paper
, Title:

Uncertainty-Aware Learning of Multiple Conditions as a Framework for Streamlined Retention Time Prediction to Accelerate Method Development

, Authors: Armen G. Beck, Gwenyth Jones, Andrew Singh, Jonathan Fine, Rojan Shrestha, Edward C. Sherer, Katharine B. Williams, Erik L. Regalado, Pankaj Aggarwal
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-z39t1
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Potentials Accurately Reproduce Vibrational Dynamics in Complex Environments

, Authors: Chloe Starkey, Saptarsi Mondal, Carlos Baiz
Version undefined posted 15 October 2025
Posted
Oct 15, 2025
10.26434/chemrxiv-2025-fcjgf
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering Asymmetric Induction in Photoredox Catalysis by Chiral Counteranions

, Authors: Lorenzo Baldinelli, Sofia Lerda, Riya Kayal, Frank Neese, Filippo De Angelis, Giovanni Bistoni
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-dt6qq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning The OER Activity of Co3O4 Nanocubes via Controlled Metal Doping and Surface Faceting

, Authors: Carsten Placke-Yan, Hatem Amin, Georg Bendt, Ulrich Hagemann, Stephan Schulz
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-06g03
 
Subject: Chemistry
,
Working Paper
, Title:

Optimizing nanoLC-TIMS-TOF and lipidomics sample preparation for low volume of plasma

, Authors: Klidel Fae Rellin, Lisa Abel, Aiko Barsch, Michael Witting
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-gcxtb
 
Subject: Chemistry
,
Working Paper
, Title:

From Brewing to Plastic Degradation: Uncovering the Polyurethanase Potential of R. chinensis Lipase through Atomistic Simulations

, Authors: Victor de Sousa Batista, Katarzyna Swiderek, Vicent Moliner
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-7j0nf
 
Subject: Chemistry
,
Working Paper
, Title:

Sulfonylation of anilines through photocatalytic activation of N-hydroxymethylphthalimide sulfones

, Authors: Twinkle Patel, Makayla Williams, Jessica Linder, Sakshi Shah, Matthew Moschitto
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-ql10s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling Rotational Motion of Nonplanar Porphyrin Atropisomers by Metal Coordination

, Authors: Sophie Maguire, John E. O'Brien, Brendan Twamley, Liam Cribbin, Mathias Senge
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-nx10k
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning potential for modelling dynamic hydrogen bond networks in MOF MIL-120

, Authors: Xin JIN, Yutao Li, Kelian Gaedecke, Xiaoqi Zhang, Berend Smit
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-dqdkf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Thickness Dependent Flat Band Potentials at the Nanoscale on Hematite Electrodes and an Alternative Fabrication to Atomic Layer Deposition

, Authors: Franz Geiger, Raiden Speelman, Lauren Martin, Justin Bye, Jacob Kupferberg, Mavis Boamah, Kevin Rosso, Martinson Alex
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-56l44
 
Subject: Chemistry
,
Review
, Title:

Closing the synthesis gap in computational materials design

, Authors: Hyunsoo Park, Kinga O. Mastej, Panyalak Detrattanawichai, Ryan Nduma, Aron Walsh
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-sbc0c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of copper binding competition between a potential anti-Alzheimer's drug and Aβ(1–16) based on voltametric and chemometric analysis

, Authors: Magdalena Wiloch-Szyborska, Natalia Baran, Giulia Gorla, Jose Amigo Rubio, Małgorzata Wesoły
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-6fznl
 
Subject: Chemistry
,
Review
, Title:

Quantum Computing and Artificial Neural Network methods in approximating the Quantum Many-Body Fermion System for Modern Quantum Chemistry Applications

, Authors: Chengze Yang
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-2j3vz
 
Subject: Chemistry
,
Review
, Title:

Mapping Ab Initio Physical Theories to Computational Chemistry Methods: The Contributions of Classical Mechanics, Thermodynamics and Statistical Mechanics, Electromagnetism, Relativity, Quantum Mechanics, and Quantum Field Theory

, Authors: Chengze Yang
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-n0c01
 
Subject: Chemistry
,
Working Paper
, Title:

GQR–VIII: Coherent Gating and Multi-Particle Tunnelling in the PSII Oxygen-Evolving Complex

, Authors: James R F SUTTON
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-tsbd2
 
Subject: Chemistry
,
Review
, Title:

Deep Eutectic Solvents for the Green Extraction of Therapeutic Phytochemicals: A Mini Review

, Authors: Harveen Kaur Harveen
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-s04xl
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling the Arsenic‑Oxygen Bond’s Nature Through Quantum Crystallography: Bridging to Chemical and Piezoelectric Properties

, Authors: Yaser Balmohammadi, Daniel Biner, Lorraine A. Malaspina, Georgia Cametti, Yuiga Nakamura, Simon Grabowsky
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-dv0xt
 
Subject: Chemistry
,
Working Paper
, Title:

Excitation/Relaxation Analysis of Electronic Transitions Using Difference Density Natural Orbitals

, Authors: Andrew Bovill, Ali Abou Taka, Hassan Harb, Hrant Hratchian
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-d34wd
 
Subject: Chemistry
,
Working Paper
, Title:

Re-Inventing Solid-Phase Peptide Synthesis: Merrifield 2.0

, Authors: Othman Al Musaimi, Daryl Williams
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-hfq8k
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing Deep Eutectic Solvents for Greener Medium Engineering and Enhanced Cellulase Activity

, Authors: Madushmita Hatimuria, Jyoti Vishwakarma, Ananya V, Anjali Anil, Nikesh Chandran C, Krishna Gavvala, ASHOK PABBATHI
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-8mmxl
 
Subject: Chemistry
,
Working Paper
, Title:

SMALL-ANGLE NEUTRON SCATTERING REVEALS STRUCTURAL HIERARCHY OF POLYMER– NANOPARTICLE HYDROGELS

, Authors: Noah Eckman, Olivia Saouaf, Carolyn Jons, Sai Venkatesh Pingali, Alexander Prossnitz, Catherine Kasse, Danielle Mai, Eric Appel
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-51qx0
 
Subject: Chemistry
,
Working Paper
, Title:

Changes in PM2.5-attributable mortality in the US by sector, 2002-2019

, Authors: Bujin Bekbulat, Alper Unal, Arushi Sharma, Joshua Apte, Julian Marshall
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-m6n6q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Spin States of Myoglobin Heme Iron in Aqueous Solutions at Room Temperature Probed from Porphyrins Using Nitrogen K-edge X-ray Absorption Spectroscopy

, Authors: Yasunobu Sugimoto, Shota Tsuru, Masanari Nagasaka
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-xdwwz
 
Subject: Chemistry
,
Working Paper
, Title:

Can Metallic Bonding Exhibit Multicenter Character?

, Authors: Hussien H. Osman, Alfonso Muñoz, Alfredo Segura, Francisco Javier Manjon
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-9rf54
 
Subject: Chemistry
,
Working Paper
, Title:

Radical Borylation of Aryl Sulfones with an NHC-Borane: A Modular Approach to Aryl Boranes

, Authors: Ryo Komatsu, Tsubasa Morioka, Akio Kamimura, Hiroshi Matsubara, Dennis P. Curran, Takuji Kawamoto
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2024-zbfbj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Multiphoton Absorption Spectra of Channelrhodopsin-2 via Multiscale Simulation Methods

, Authors: David Carrasco-Busturia, Mathieu Linares, Patrick Norman, Jógvan Magnus Haugaard Olsen
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-vzz1r-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Dual Circularly Polarized Luminescence from Chiral Boron-Embedded Polycyclic Aromatic Hydrocarbons

, Authors: Tatsuya Mori, Sano Yoshiharu, Ikai Tomoyuki, Yuuya Kawasaki, Katsuhiko Tomooka, Takahiro Sasamori, Shigehiro Yamaguchi
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-2ql92
 
Subject: Chemistry
,
Working Paper
, Title:

Cost-Effective Solid-state NMR of Fungal Glucans: A case study on Schizosaccharomyces pombe

, Authors: Ananya Singh, Teresa Massam-Wu, Mohan Balasubramanian, Wing Ying Chow
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-7896c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Thioflavin-T derivatives with controlled AIE and ACQ properties as potential one-photon and two-photon amyloid markers

, Authors: Agata Hajda, Patryk Rybczyński, Weronika Andrzejczak, Borys Ośmiałowski, Joanna Olesiak-Bańska
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-spn41
 
Subject: Chemistry
,
Working Paper
, Title:

Synergistic Photodynamic–Photothermal Tumor Therapy Enabled by NIR-II AIE Nanoparticles

, Authors: Liang Hao, Tianyu Li, Shuhe Liu, Wen-jin Wang, Zijie Qiu, Zheng Zhao, Ben Zhong Tang
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-02wgw
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insights into the Antioxidant Activity of Baicalein and Related Flavones: A DFT and Molecular Dynamics Study

, Authors: Nidhi Hismatray Aswani, Sawan Kumar, Devendra Kumar Dhaked
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-jqc2k
 
Subject: Chemistry
,
Working Paper
, Title:

Real-time monitoring of photoinduced atom transfer radical polymerization by time-resolved diffusion NMR

, Authors: Marek Czarnota, Martyna Cybularczyk-Cecotka, Franz F. Westermair, Kriti Kapil, Krzysztof Matyjaszewski, Grzegorz Szczepaniak, Mateusz Urbańczyk
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-591rk
 
Subject: Chemistry
,
Working Paper
, Title:

A Template‑Based Automatic Fragmentation Algorithm for Complex and Large Systems in the Generalized Energy‑Based Fragmentation Framework

, Authors: Xuerong Wang, Junhui Sun, Linke He, Jin Wen, Jianyi Wang, Wei Li, Shuhua Li
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-8frz4
 
Subject: Chemistry
,
Working Paper
, Title:

Self-assembly of PEG-b-PDLLA and PEG-b-PLGA nano-sized polymersomes through chain mobility and kinetic control

, Authors: Sarah Nieto, Angela Mutschler, Sebastien Lecommandoux
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-cmr4c
 
Subject: Chemistry
,
Working Paper
, Title:

Structure–Activity Relationships in a Series of Dihydrouracil-JQ1 Conjugates: Discovery of Highly Potent BRD4 Degraders

, Authors: Oleh Shyshlyk, Vladyslav Stadnichenko, Oleksandr Diachenko, Iryna Chernysh, Anna Beshtynarska, Diana Alieksieieva, Diana Khotinets, Oleksii Oleksiak, Dmytro Lesyk, Angelina V. Biitseva, Petro Borysko, Volodymyr Yarmolchuk, Ganna M. Tolstanova, Oleksandr O. Grygorenko
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-gg49w
 
Subject: Chemistry
,
Working Paper
, Title:

Ouroboros: From linear carbons to cyclic carbons, cyclo[25]carbon and cyclo[50]carbon

, Authors: Yuan Guo, Ling Hua, Yuzhe Yun, Guorui Xu, Luye Sun, Wei Xu
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-p0hhp
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Consciousness Identity Factor: A Physical Postulate for Subjective Continuity and Uniqueness

, Authors: K. L. Senarath Dayathilake
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.33774/coe-2025-dl08r
 
Subject: Mathematics
,
Working Paper
, Title:

The Ternary Mathematical Framework: A Language of Frequencies and Harmonies

, Authors: Udo Granops
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.33774/coe-2025-2x77s
 
Subject: Mathematics
,
Working Paper
, Title:

The Trinity of Invariants: A Phi-Harmonious Unfolding

, Authors: Udo Granops
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.33774/coe-2025-r9tmx
 
Subject: Chemistry
,
Working Paper
, Title:

Knowles Partitioning from a Stationary Condition: Single- and Multireference case

, Authors: Agnes Szabados, András Gombás, Péter Surján
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.33774/coe-2025-1n61k
 
Subject: Mathematics
,
Working Paper
, Title:

The Dissolution of Problems: A Trinary Reframing - PART I

, Authors: Udo Granops
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.33774/coe-2025-w04ft
 
Subject: Chemistry
,
Working Paper
, Title:

Photoinduced Decarboxylation in Fluorescent Proteins: Charge-Transfer States and Structure-Function Relationship

, Authors: Janko Čivić, Hideaki Mizuno, Jeremy Harvey
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-0nxt7
 
Subject: Mathematics
,
Working Paper
, Title:

The Dissolution of Question: A Trinary Reframing - PART II

, Authors: Udo Granops
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.33774/coe-2025-t8kg3
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Methane Production via Sabatier Reaction Using Hydrogen from Rainwater Electrolysis and Captured Carbon Dioxide

, Authors: Sayed Huzaifa Mumit, Sayed Imon Muhit
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.33774/coe-2025-lk4r7-v2
 
Subject: Economics
,
Working Paper
, Title:

BAGOONG PRODUCTION IN BRGY. MANIBOC, LINGAYEN: PRACTICE, SCIENCE, AND ECONOMIC ANALYSIS

, Authors: Allyssa Gumapos, Nicole Dominguez
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.33774/coe-2025-bbx3x
 
Subject: Chemistry
,
Working Paper
, Title:

Bias Deletion Metadynamics Revealing Volume-Rotation Coupling Mechanisms in Metal-Organic Frameworks

, Authors: Konstantin Stracke, Jack Evans
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-nzfrb
 
Subject: Chemistry
,
Working Paper
, Title:

​​Data-Driven Reagent Selection for Empirical Reaction Optimization

, Authors: Jesse Ahlbrecht, Marius Lutz, Vera Jost, Michael Färber, Stefan Bräse, Georg Wuitschik
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-qk1vf
 
Subject: Chemistry
,
Working Paper
, Title:

Iodine(III) Mediated Unprecedented Oxa-Michael Reaction/C=C Bond Migration/C(sp2)-H Oxygenation/Detosylation Cascade for Accessing Flavones from β-Tosyl-chalcones

, Authors: Deepak Kumar, Bal Krishna Mishra, Rohan Srivastava, BHOOPENDRA TIWARI
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-cjb8w
 
Subject: Chemistry
,
Working Paper
, Title:

Do mutations in the Anaplastic Lymphoma Kinase affect Crizotinib's Binding Affinity?

, Authors: Elvis A. F. Martis, Krishna R. Iyer, Evans C. Coutinho
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-slmfn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Development and Evaluation of Benzofuran Oxoacetic Acid Compounds as EPAC1 Activators

, Authors: David Morgan, Jolanta Wiejak, Frederick Powell, Chiara Fitzpatrick, Stephen Yarwood, Graeme Barker
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-zcpbc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Probing the State of Cobalt in TiO2-Supported CO2 Hydrogenation Catalysts from Tailored Materials Prepared via Atomic Layer Deposition and Surface Organometallic Chemistry

, Authors: Zhou Wei, Xiaoyu Zhou, James Paterson, Jamie Southouse, Alexey Fedorov, Christoph R. Müller, Christophe Copéret
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-mqtt6
 
Subject: Chemistry
,
Working Paper
, Title:

Problem-Based Learning in Sustainable Chemistry: A Student Startup Model with PET as a Case Study

, Authors: David Palomas, Buse Sonmez
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-th0kn
 
Subject: Chemistry
,
Working Paper
, Title:

Triple Catalytic Markovnikov Hydrophosphorylation of Unactivated Olefins via Water-Mediated Radical-Polar Crossover Rearrangement of Phosphinites

, Authors: Yi-Fan Li, Hong-Chen Wang, Bing Han
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-w3f0s
 
Subject: Chemistry
,
Working Paper
, Title:

Ultralow-concentration nitrate-to-ammonia electroupcycling on Co-decorated Cu-organic nanocomposite for actual wastewater treatment

, Authors: Zhihui Yao, Tian Zeng, Wanying Wang, Tao Zhou, Zhengxiao Guo, Edmund Chun Ming Tse
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-9wt9t
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding the Oligonucleotide Toolbox: A New Class of 3′-Morpholino Phosphorodiamidites for DNA–PMO Chimera synthesis

, Authors: Atanu Ghosh, Subhamoy Pratihar, SURAJIT SINHA
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-cntgn
 
Subject: Chemistry
,
Working Paper
, Title:

Formation and Activity Mechanisms of a Carbon-Nitride-Supported Single-Atom Catalyst for Photocatalytic Hydrogen Evolution

, Authors: Yuki Tomoyasu, Makito Takagi, Tokuhisa Kawawaki, Yuki Yamazaki, Yamato Shingyouchi, Tomomi Shimazaki, Masanori Tachikawa, Yuichi Negishi
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-17z0n
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental Verification of the Bonding Nature of Arsenic, Phosphorus, and Sulfur Ylides: an Answer from Quantum Crystallography

, Authors: Yaser Balmohammadi, Lorraine A. Malaspina, Georgia Cametti, Sergey Fisher, Yuiga Nakamura, Fabian Mohr, Emanuel Hupf, Simon Grabowsky
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-pjstr
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric Organocatalysis Enhanced by Nanohoop Confinement

, Authors: Adriana Sacristán-Martín, Fabian Schwer, Benedikt Bädorf, Thomas Pickl, Anika Lebzelter, Alexander Pöthig, Stefan Grimme, Max von Delius
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2024-srqv5-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Towards a new era for open and FAIR data in catalysis research – A catalysis plugin for NOMAD

, Authors: Julia Schumann, Hampus Näsström, Michael Götte, Lauri Himanen, Abdulrhman Moshantaf, Markus Scheidgen, José A. Márquez Prieto, Claudia Draxl, Annette Trunschke
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-kx99k
 
Subject: Chemistry
,
Working Paper
, Title:

Subphase Salinity affects structure of alcohols at model sea-spray aerosol surfaces

, Authors: Clara-Magdalena Saak, Sofie M. Mika, Ellen H.G. Backus
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-tq4xj
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Evaluation of Molecular Binding on Metal Surfaces in Temperature Programmed Desorption: Accuracy of DFT Functionals and Neural Network Potentials

, Authors: Tatsuya Joutsuka, Yoshiteru Itagaki
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-0cv2m
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Site Uniformity: Controlling Coordination Distributions in Single-Atom Catalysts

, Authors: Nicholas Nelson
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-wvw9p
 
Subject: Chemistry
,
Working Paper
, Title:

A soy protein substitute for animal meat proteins can provide global phosphorus reduction and recirculation opportunities

, Authors: Kenneth Ruffatto, Andrew Margenot, Vijay Singh, Rebecca Muenich, Roland Cusick
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-9819w
 
Subject: Chemistry
,
Working Paper
, Title:

Navigating ternary doping in Li-ion cathodes with closed-loop multi-objective Bayesian optimization

, Authors: Nooshin Zeinali Galabi, Cheng-Hao Liu, Moksh Jain, Marc Kamel, Shipeng Jia, Yoshua Bengio, Eric McCalla
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-9f5ts
 
Subject: Chemistry
,
Working Paper
, Title:

Design Principles for PFAS Adsorption in Covalent Organic Frameworks

, Authors: Daniel Mottern, Andrei Kolesnikov, Gennady Gor, Joshua Young
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-6c27d
 
Subject: Chemistry
,
Working Paper
, Title:

Analysis of mRNA multimerisation (aggregation) using non-denaturing ion-pair reversed-phase HPLC

, Authors: Alexandra Louise Jessica Webb, Emma N Welbourne, Kate A Loveday, Prerna Bora, Zoltan Kis, Gunilla A Nilsson, Andal Murthy, Eivor Örnskov, Mark J Dickman
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-54w4w
 
Subject: Chemistry
,
Working Paper
, Title:

Convenient benzylic bromination of 2-hydroxy-5-methylisophthalaldehyde

, Authors: Nikita Žoglo, Anton Mastitski, Vladislav Ivaništšev, Nadezda Kongi
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-4qkn0
 
Subject: Chemistry
,
Working Paper
, Title:

Biosynthesis of Nanoscale-Metal-Organic-Composites–nMOCs with Superior Adsorption Characteristics: A Fisherman's Net Analogy

, Authors: Arijit Mohanta, Saurabh Dubey, Anchit R. Prasad, Yeshudan Bora, Zakia Farhat, Dipankar Bandyopadhyay
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-89ts9
 
Subject: Chemistry
,
Working Paper
, Title:

Modifying Photocatalyst’s Activity with a Non-Conjugated Charged Group

, Authors: Elina Taskinen, Jasimuddin Ahmed, Burkhard Koenig
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-hwfx5
 
Subject: Chemistry
,
Working Paper
, Title:

Stereoselective β-C-aryl glycosylation through Ni-catalysed reductive cross-coupling

, Authors: Victor Crespin, Abir Jertila, Eric Daiann Sosa Carrizo, Elsa Van Elslande, Tanguy Saget, Stéphanie Norsikian, Marie Sircoglou, Sebastien Vidal
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-vv87n
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-state emission of TICT luminophores

, Authors: Marek P. Szymański, Agnieszka Czapik, Marzena Banasiewicz, Klaudia Chuchracka, Marcin Kwit, Agnieszka Szumna, Paweł Skowronek
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-7hc1x
 
Subject: Chemistry
,
Working Paper
, Title:

Solid-State NMR Provides Location-Specific Information on the Chemical Environment Inside MOF Pores

, Authors: Hao Deng, Marco Bengsch, Christophe Fares, Zihang Qiu, Mir Henglin, Constanze Neumann
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-6xk78-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ternary-Promoted Cobalt Catalyst for Ammonia Synthesis

, Authors: Takahiro Naito, Katsutoshi Sato, Kanishka De Silva, Takaaki Toriyama, Tomokazu Yamamoto, Ryotaro Aso, Yasukazu Murakami, Koji Inazu, Katsutoshi Nagaoka
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-srg17
 
Subject: Chemistry
,
Working Paper
, Title:

Mitigating Redox Mediator-Induced Surface Recombination for Efficient Photoelectrocatalytic Alcohol Oxidation on Mo-Doped Bismuth Vanadate

, Authors: Chun-Chung Kuang, Yi-Wen Chen, Guan-Zhu Tu, Hong-Lin Chen, Jun-Lin Fong, Chia-Wei Chang, Jing-Yan Wu, Hong-Kang Tian, Chang-Ming Jiang
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-b079x
 
Subject: Chemistry
,
Working Paper
, Title:

Facile Trifluoromethylation of Arenes and Heterocycles via a Bench Stable Photocaged Trifluoromethylation Reagent

, Authors: Gavin Rustin, Penelope Dalton, Zenghui Jiang, Zhao Liu, Isabella Najor, Bahar Heydari, Beeta Heydari, Nicholas Kuehl, Vlad Kumirov, Michael Taylor, Jeffrey Gustafson
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-ssqwg
 
Subject: Chemistry
,
Working Paper
, Title:

An Accurate Charge-Aware Machine-Learning Interatomic Potential for the Reduction of Li-ion Battery Electrolytes in Solution

, Authors: Yujing Wei, John L. Weber, James M. Stevenson, Zachary K. Goldsmith, Xiaowei Xie, Leif D. Jacobson, Richard A. Friesner
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-x1km2
 
Subject: Chemistry
,
Working Paper
, Title:

Targeting β-Lactose with AA9 Lytic Polysaccharide Monooxygenase (LPMO) to Treat Lactose Intolerance: A Molecular Docking, DFT and Molecular Dynamic Simulation Study

, Authors: Ahmed Shahat Belal, Ahmed. A Al-Kubaisi, Cromwel Tepap Zemnou
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-5z3kn
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing the spin-flip radiative lifetimes of optically addressable molecular qubits

, Authors: Diego Sorbelli, Giulia Galli
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-xhh0z
 
Subject: Chemistry
,
Working Paper
, Title:

SmarTSzyme: biasing the mutational landscape in enzymes with QM/MM and chemical dynamics to manipulate catalytic activity

, Authors: Daniel Platero-Rochart, Pedro Alejandro Sánchez-Murcia
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-0g7l5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Oxovanadium(IV) thiocarboxylate paddlewheels containing ancillary Group 10 metals: a comparative study on Pd and Pt derivatives

, Authors: Olga Mironova, Giacomo Bellini, Alessio Nicolini, Manuel Imperato, Antonio Ranieri, Marco Borsari, Matteo Briganti, Rodolphe Clérac, Mathieu Rouzières, Enrico Salvadori, Maria Chiara Pagliero, Mario Chiesa, Andrea Cornia
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-l5n9j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Probing the Surface Structure of Amine/Chloride Passivated CdSe Nanocrystals Using Dynamic Nuclear Polarization-Enhanced 15N, 35Cl, 77Se and 113Cd Solid-State NMR Spectroscopy

, Authors: Anuluxan Santhiran, Faith Quinn, Eunbyeol Gi, Yunhua Chen, Woolin Lee, Md Riad Sarkar Pavel, Frédéric Perras, Rana Biswas, Javier Vela, Aaron Rossini
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-1n0t4
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-free direct carbofunctionalization of [1.1.1]propellane and [3.1.1]propellane driven by light.

, Authors: Yongchen Wang, Martin Pauze, Julian West
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-3lxsq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of Metal Species and Content of Fe-Ni-Poly(heptazine imides) on their Properties as Electrocatalysts for Zinc-Air Batteries

, Authors: Franz Jacobi, Rudolf Frank Baumgart, Robert Leiter, Marius Hermesdorf, Sri Rezeki, Alexander Kemmesies, Christof Neumann, Andrey Turchanin, Christopher Schlesiger, Simon Fleischmann, Desirée Leistenschneider
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-jhmkw
 
Subject: Medicine (excluding clinical)
,
Protocol/Methodology
, Title:

Predicting Osteoporosis Risk Through Psychological Wellness and Neural Network Classification

, Authors: Vibikshyu Ananthu, Sanskaar Srivastava
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.33774/coe-2025-m9k5d
 
Subject: Chemistry
,
Working Paper
, Title:

Detailed balance conditions for the irreversible cyclic reactions proceeding by a general modifier mechanism

, Authors: Petro Zhuk, Sergiy Karakhim
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-0p7zg
 
Subject: Chemistry
,
Working Paper
, Title:

Dry Electrode Architecture Design for Pushing Energy Density Limits at Cell Level

, Authors: Minghao Zhang, Boyan K. Stoychev, Xingyu Zhang, Weiliang Yao, Shen Wang, Mehdi Chouchane, Na Ri Park, Ganesh Raghavendran, Naohiro Tojima, Tingting Yang, Haifeng Gao, Zhao Liu, Alejandro A. Franco, Oleg G. Shpyrko, Ying Shirley Meng
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-vrwh5
 
Subject: Chemistry
,
Working Paper
, Title:

Toward Precision Nutrition Standards: Molecular Profiling of GSE OPCs and Gaps in Current Regulations

, Authors: Jianhui Zhang, Jiaxin Liang, Qun Wang, Tszho Yip, Qinghua Lyu, Ling Wang
Version undefined posted 16 October 2025
Posted
Oct 16, 2025
10.26434/chemrxiv-2025-w32z0
 
Subject: Mathematics
,
Working Paper
, Title:

A Constructive Challenge to the Continuum Hypothesis via Fractional and Irrational Set Union

, Authors: Taha Muhammad
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-p5209
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

A Novel State-Space Diagram Analysis for Entanglement Transitions Using Time-Dependent Separability Measures​

, Authors: Kavin Murugesan, Aayush Chebolu, Christian Polilen
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-93597
 
Subject: Chemistry
,
Working Paper
, Title:

THE LAW OF DIAMOND CRYSTALLOGENESIS.

, Authors: Volodymyr Kaplunenko, Mykola Kosinov
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-ttcgx-v2
 
Subject: Mathematics
,
Working Paper
, Title:

A Study of Tricomplex Numbers: Representation, Subalgebras, Idempotent Forms

, Authors: JOGENDRA KUMAR, Hamant Kumar
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-n0h9f-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Over 400 W average power, sub-2-cycle, carrier envelope phase stable fiber laser system

, Authors: Imre Seres, Evgeny Shestaev, Maxim Tschernajew, Péter Jójárt, Christian Gaida, Nico Walther, Tamás Bartyik, Barnabás Gilicze, Zsolt Bengery, Dominik Hoff, Marco Kienel, Tino Eidam, Jens Limpert, Ádám Börzsönyi, Katalin Varjú, Zoltan Varallyay
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-5bb5w
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Quantifying Existence: Energy, Relational Measurement, and the ∆E Field in the Theory of Relative Cosmic Equilibrium (RCE)

, Authors: Azeddine Ennabati
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-h7qg2
 
Subject: Engineering
,
Working Paper
, Title:

New type of energy-saving electric drive: the most efficient way to save energy.

, Authors: Valeriy Dudarev
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-cd47t-v3
 
Subject: Mathematics
,
Working Paper
, Title:

Entropic Flow and Prime-Domain Computation: A Structural Study of the Collatz Dynamics

, Authors: Shang Yu Chen
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-hr899
 
Subject: Mathematics
,
Working Paper
, Title:

Unified Analytic Solution of Integral Equations in Integral Algebraic Closure

, Authors: dongqi liu, shifa liu
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-bm5gt
 
Subject: Chemistry
,
Working Paper
, Title:

Computing Nucleation Rates from Confined Equilibria: The Critical Cluster Equivalence Principle

, Authors: Lunna Li, Fabienne Bachtiger, Aaron Finney, Matteo Salvalaglio
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-w9xfh
 
Subject: Chemistry
,
Working Paper
, Title:

Unsupervised classification of local clathrate hydrate structures

, Authors: Xinrui Cai, Alberto Striolo, Matteo Salvalaglio
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-77q38-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A simple compound prioritization method for drug discovery considering multi-target binding

, Authors: Alžbeta Kubincová, David Mobley
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-vqg5k
 
Subject: Chemistry
,
Working Paper
, Title:

High-density covalent immobilisation of DNA on plasma-activated surfaces for biosensing applications

, Authors: Kanako Coffi Dit Gleize, Bradley Harding, Qianyi Zhang, Clara Tran, Anna Waterhouse, Marcela Bilek, Shelley Wickham
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-cxsmn
 
Subject: Chemistry
,
Working Paper
, Title:

Positivity is All You Need (PAYN): A PU Learning Framework for Yield Prediction in Organic Chemistry

, Authors: Florian Boser, Jan Spies, Frank Glorius
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-hq4rx
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning in Chemistry: A Data Centred, Hands-on Introductory Machine Learning Course for Undergraduate Students

, Authors: Mingyi Xue, Bojun Liu, Xuhui Huang
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-9zldf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cross-Platform Ion Mobility-Mass Spectrometry of Cationized Imidacloprid and Chlorpyrifos

, Authors: Olivia Rusli, Ruth Wang, River J. Pachulicz, Muhammad A. Zenaidee, Tara L. Pukala, Boris Ucur, Shane R. Ellis, Nicole Joy Rijs
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-cs4h4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Energy-enhanced aqueous organic flow batteries enabled by integrated proton-coupled electron transfer-induced carbon capture and utilization

, Authors: Yan Jing, Kaiping Zhu, Sheng Xu, Xingqi Wang, Zhuwen Wei, Kunlong Yang, Zepeng Chen, Xiaolin Wang, Binglin Lu
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-2f9z0
 
Subject: Chemistry
,
Working Paper
, Title:

Radical allylation of vinyl perfluorocyclic sulfonamides leading to 1,1,2,2,3,3-hexafluorohex-5-ene-1-sulfonamides

, Authors: Takaaki Maejima, Moeri Terauchi, Takuji Kawamoto
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-1b7b5
 
Subject: Chemistry
,
Working Paper
, Title:

Prebiotic Absolute Asymmetric Formation of D-Ribose by Wollastonite’s Inherent Surface Structure

, Authors: Wendi Zhang, Yang Gao, Jiao Wang, Quanzheng Deng, Lu Han, Wanning Zhang, Yuxi Fang
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-03tlk
 
Subject: Chemistry
,
Working Paper
, Title:

Carbon Polarization and Carbon Nanotube Stacking Impacts the Behavior of Water in Nanoconfinement

, Authors: Leonard Dick, Richa Rashmi, Henry Agnew, Suman Saha, Xuanyu Zhu, Barbara Kirchner, Francesco Paesani
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-3znm9
 
Subject: Mathematics
,
Working Paper
, Title:

Correcting the Navier–Stokes Millennium Problem through ∆E Field Reformulation in the Theory of Relative Cosmic Equilibrium (RCE)

, Authors: Azeddine Ennabati
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-s2pj2
 
Subject: Computer Science
,
Protocol/Methodology
, Title:

AIBERIS: A Pre-marital Analysis and Compatibility Model Based on Genetic, Cognitive-Psychological Traits, and Sociocultural Values

, Authors: Özgecan Siyez
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-6r8jq
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Planck's constant h and the gravitational constant G.

, Authors: Valeriy Dudarev
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-gj26z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An Energy Decomposition Method for Electronic Excitations in Two-Determinant Restricted Open-Shell Kohn–Sham Theory

, Authors: Haobo Ling, Hengyuan Shen, Zeyi Zhang, Martin Head-Gordon
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-5t48c
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

A National Framework for Public Good: The Hub-Only Pipeline Topology (HOPT) for Carbon Dioxide Capture & Transportation

, Authors: Arnab Sinha
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-zrw4b
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Impact of High SO₂ Concentration on Amine-Based CO₂ Capture Systems

, Authors: Arnab Sinha
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-8vtlg
 
Subject: Computer Science
,
Working Paper
, Title:

On Equivalence of Tractable and Non-polynomial Classes of Complexity

, Authors: Mirzakhmet Syzdykov
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-3g759
 
Subject: Chemistry
,
Working Paper
, Title:

Decoupling of Reaction and Phase Equilibria in Low Temperature Reverse Water-Gas Shift Enabled by Magnetically Induced Catalysis

, Authors: Junhui Hu, Lise-Marie Lacroix, Jacob Johny, Sourav Ghosh, Elisabeth Wolf, Jeongmin Ji, Sheng-Hsiang Lin, Manisha Durai, Alin Benice Schöne, Walid Hetaba, Holger Ruland, Walter Leitner, Alexis Bordet
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-2807v
 
Subject: Chemistry
,
Working Paper
, Title:

Chiral Plasmonic Surface Temperature Switching by Several Tens of Kelvins in Titanium Nitride Nanostructures

, Authors: Kenji Setoura, Tomoya Oshikiri, Mamoru Tamura, Ken Morita, Hideki Fujiwara, Satoshi Ishii, Yusuke Fujii, Yasutaka Matsuo, Takuya Iida, Kohei Imura
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-52mfc
 
Subject: Chemistry
,
Working Paper
, Title:

Data augmentation in a triple transformer loop retrosynthesis model

, Authors: Yves Grandjean, David Kreutter, Jean-Louis Reymond
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2024-r3x05-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insight into C-Nucleophiles Addition to 2-Formylbenzoic Acid in Water Media: A DFT Study.

, Authors: Vitaly Shcherbinin
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-2pnpq
 
Subject: Chemistry
,
Working Paper
, Title:

Protein-Based Determination of Model Redox Potentials for the High-Potential and the Low-Potential Redox Transition of [4Fe-4S]-Cys4 Clusters using Continuum Electrostatics

, Authors: Rajeev Ranjan Roy, Maxim Janzen, G. Matthias Ullmann
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-bptr3
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of Propene Hydroformylation using Machine Learning

, Authors: Abhinav Tripathi, Alejandra Sophia Lozano-Perez, José A. Fuentes, Matthew L. Clarke, Niklas von Wolff, Nguyen Dang, Phong Le, Amit Kumar
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-fw7l4
 
Subject: Chemistry
,
Review
, Title:

Application of computational tools for experimental data analysis of homogeneous catalytic systems in the synthesis of cyclic carbonates

, Authors: Klim Biriukov, Ivan Smirnov, Evgeniya Podyacheva, Mikhail Losev, Dmitry Malikov, Alexander Prokhorov, Oleg Afanasyev, Denis Chusov
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-f17dg
 
Subject: Chemistry
,
Working Paper
, Title:

The Monte Carlo threshold algorithm applied to crystal structure prediction landscapes of polycyclic aromatic hydrocarbons

, Authors: Pedro Juan-Royo, Graeme Day
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-mx2tl
 
Subject: Chemistry
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Working Paper
, Title:

Microstructure of Amide-Functionalized Polyethylenes Determined by NMR Relaxometry

, Authors: Shira Haber, Nicodemo Ciccia, Zhengxing Peng, Feipeng Yang, Julia Im, Mutian Hua, Sophia Fricke, Raynald Giovine, Brett Helms, Cheng Wang, John Hartwig, Jeffrey Reimer
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-82l5w
 
Subject: Chemistry
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Working Paper
, Title:

Exploring the substitution of the C21-OAc moiety in [11]Cytochalasans: Synthesis and Evaluation of Fluorophore Conjugates

, Authors: Mervic D. Kagho, Katharina Schmidt, Aishi Chakrabarti, Marius Karger, Christopher Lambert, Maurice Hauser, Russell J. Cox, Klemens Rottner, Marc Stadler, Theresia E. Stradal, Philipp Klahn
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-j82gz
 
Subject: Chemistry
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Working Paper
, Title:

One-Step Integration of Sulfonated Polymer Films with Separators for Shuttle Mitigation in Lithium-Sulfur Batteries

, Authors: Louisa Greenburg, Kristen Abels, Yukio Cho, Huayue Ai, Yi Cui, William Tarpeh, Yan-Kai Tzeng
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-s5wzj
 
Subject: Chemistry
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Working Paper
, Title:

(2R*, 3R*)-2-(2-phenoxyethyl)tetrahydrofuran-3-yl acetate: Single Crystal X-Ray Diffraction Analysis and Mechanistic Implications

, Authors: Shyam Sathyamoorthi, Steven Kelley, Appasaheb Nirpal
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-tg5gg
 
Subject: Economics
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Working Paper
, Title:

Public Utility Vehicle Modernization Program in Lingayen, Pangasinan

, Authors: Ian Navarro, Christine May Bolingon, Jhasmine Mae Sison, Jose Angelo Cruz
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-2xp3w
 
Subject: Economics
,
Working Paper
, Title:

The Circular Flow Revisited: A Comparative Exposition of Leontief's Input-Output Analysis and Sraffa's Production of Commodities

, Authors: Sourish Dutta
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-r210t-v2
 
Subject: Economics
,
Working Paper
, Title:

Economic determinants of crime: evidence in the Philippines from 1998-2018

, Authors: Hyde Lyn Beltran, Ronnel Becamon, Jovylyn Luzadas
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-18tw3
 
Subject: Chemistry
,
Working Paper
, Title:

Alkyl-9-BBN Reagents Promote Closed-Shell Nickel-Catalyzed Al-kylarylation Towards Sequence-Encoded Cyclooctene Monomers

, Authors: Anne Ravn, Aimee Bangerter, Ethan Wagner, Shijia Li, Camille Rubel, Steven Wisniewski, Peng Liu, Will Gutekunst, Keary Engle
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-h68fm
 
Subject: Chemistry
,
Working Paper
, Title:

Multimodal Operando Characterisation of Iridium Oxide-electrolyte Interface for Water Oxidation

, Authors: Yemin Tao, Tomohiko Utsunomiya, Haiting Yu, Seung-Jae Shin, Caiwu Liang, Yifeng Wang, Aron Walsh, James Durrant, Mary Ryan, Yu Katayama, Aliaksandr Bandarenka, Reshma Rao
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-9svrk
 
Subject: Chemistry
,
Working Paper
, Title:

Cethrene’s Catch-22: Is Trading Magnetism for Bistability Inevitable?

, Authors: Pauline Pfister, Daniel Čavlović, Tamara Trajkovic, Olivier Blacque, Michal Juríček
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-vz4rw
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of keto hexafluoro alkyl sulfonyl amides via radical ring-opening polymerization of aryl-substituted vinyl cyclohexafluoro-propane-1,3-bis(sulfonyl)amides followed by hydrolysis

, Authors: Takuji Kawamoto, Moeri Terauchi, Tetsushi Yamasaki, Takahiro Kawabata, Akio Kamimura
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-lq11c
 
Subject: Chemistry
,
Working Paper
, Title:

The importance of CO supersaturation and surface area—not geometry—for tandem single-catalyst CO₂ reduction to CH₃OH

, Authors: Pablo Fernandez, Marisé García-Batlle, Bo Shang, Hailiang Wang, Gregory N. Parsons, James F. Cahoon, Rene Lopez
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-743st
 
Subject: Chemistry
,
Working Paper
, Title:

Coherence Strength in the Covalently Linked Arene Dimers: A DFT Study

, Authors: Sylvia Acquah, Muhammad Shahbaz, Riley Knierim, Chloe Hillyer, Lichang Wang
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-vwbhp
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring phase transition pathways in benzene crystals using the artificial force induced reaction method with general AMBER force fields

, Authors: Shoya Kondo, Taisuke Hasegawa, Satoshi Maeda
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-zf3q5
 
Subject: Chemistry
,
Working Paper
, Title:

Ring-Opening Decarbonylative C(sp³)–C(sp³) Cross-Electrophile Coupling of Cyclic Imides with Unactivated Alkyl Chlorides

, Authors: Niklas J. Lentelink, Peter M. F. Pânzar, Nathalie A. V. Rowlinson, Bill Morandi
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-3bcv2
 
Subject: Chemistry
,
Working Paper
, Title:

Chiral Boranils: Synthesis, Photophysical and Chiroptical Properties

, Authors: Samuel Decorps, Rayan Hachem, Juichi Bainvel-Sato, Rémy Devienne, Bruno Baguenard, Stéphan Guy, Erwann Janneau, Floris Chevallier, Christophe Bucher, Laure Guy, Denis Frath
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-nrkhf
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacial Cation Arrangement Governs Electrocatalytic Kinetics in CO2 Reduction

, Authors: Jon-Marc McGregor, Zidan Zhang, Louise Canada, Zachary Hammer, Yasemin Dundar, Venkat Ganesan, Joan F. Brennecke, Joaquin Resasco
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-1lcxn
 
Subject: Chemistry
,
Working Paper
, Title:

CO2 methanation with MOF-derived hierarchically porous spherical carbon nanocomposite incorporating cobalt nanoparticles

, Authors: David Skoda, Plaifa Hongmanorom, Barbora Hanulikova, Alzbeta Dubravova, Martin Cvek, Iaroslav Doroshenko, Tomas Pokorny, Lucie Simonikova, Ivo Kuritka, Damien P. Debecker
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-wmqsz-v2
 
Subject: Chemistry
,
Review
, Title:

Toward Consistent Thermodynamic Modeling of CO2 Adsorption on Lewatit VPOC 1065 Under Dry Conditions: Isotherm Variability, Data Gaps, and Model Fitting

, Authors: Mattia Galanti, Rens Teunissen, Ivo Roghair, Martin van Sint Annaland
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-z8x8m
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Dynamic Analysis of Dengue and SARS-CoV-2 Proteases Reveals Potential Allosteric Sites

, Authors: Lionell Nava
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-sgdm3
 
Subject: Chemistry
,
Working Paper
, Title:

Locally Ordered Junctions Govern Diffusion in Triglycerides: Insights from Molecular Dynamics

, Authors: Yuki Kitamura, Yusuke Yasuda, Junya Metoki, Shogo Tsujino, Kazuma Yoshimura, Takahide Watanabe, Kazushi FUJIMOTO
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-3xlck
 
Subject: Chemistry
,
Working Paper
, Title:

Causal Feature Selection for Materials Optimization: Identifying Causal Process Parameters via Machine Learning and High-Dimensional Hypothesis Testing

, Authors: Yingkai Liu
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-l96q8
 
Subject: Chemistry
,
Working Paper
, Title:

Ground and Excited State Gradients with End-to-End Differentiable Semiempirical Quantum Chemistry

, Authors: Vishikh Athavale, Maksim Kulichenko, Nikita Fedik, Sebastian Fernandez Alberti, Anders Mauritz Niklasson, Sergei Tretiak
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-xcpgd
 
Subject: Chemistry
,
Working Paper
, Title:

Mapping the Conformational Landscape of the Cold-Regulated Intrinsically Disordered Protein COR15A

, Authors: Dale Stuchfield, Ana Bath Alén, Anja Thalhammer, Perdita Barran, Charles Eldrid
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-58ft6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Concise Synthesis of Bufogargarizin B by a Skeletal Reorganization Approach

, Authors: Peicheng Yang, Yi Shen, Jinghan Gui
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-6f4bk
 
Subject: Chemistry
,
Working Paper
, Title:

Solvated Electron-Driven Hydroamination of Olefins

, Authors: Anietie Williams, Kerry Gilmore
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-fblsl
 
Subject: Chemistry
,
Working Paper
, Title:

Regioselective In Vitro Toxicity of Aromatic Hydroxylated Metabolites of 6PPD-Quinone

, Authors: Pranav Nair, Hannah Byun, Justin MacLeod, Maria Jose Gendron Romero, Linna Xie, Jianxian Sun, Datong Song, Hui Peng
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-pm3vf
 
Subject: Chemistry
,
Review
, Title:

In Defense of Chemistry: Molecular Innovation for a Sustainable Future

, Authors: Harpreet Kaur, Ernesto Lopez, Jesse Gui, Sankshay Macha, Sandra Castellanos, Mahnoor Ashraf, Giselle De La Torre, Laura K.G. Ackerman-Biegasiewicz
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-c6tw0
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic insights into plasmon-mediated carbon dioxide hydrogenation over immobilised AgPt nanoprisms

, Authors: Garv Bhardwaj, Kishan Menghrajani, Stefan Maier, Murali Sastry, Akshat Tanksale
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.26434/chemrxiv-2025-j694b
 
Subject: Mathematics
,
Working Paper
, Title:

On the largest prime factor of integers in short intervals II

, Authors: Runbo Li
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-xnbjq-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Epidemiological Modeling of Criminal Gangs with Multidelays Persistence and Intervention Instability

, Authors: Oluwasegun Ibrahim
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-kvpkb
 
Subject: Mathematics
,
Working Paper
, Title:

A FULLY INVERTIBLE GLOBAL ANALYTIC MODEL OF THE RIEMANN ZETA FUNCTION

, Authors: Sui Qing
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-0jbmf-v4
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Time as a Projection Rate: A 4D Quantum Framework for Temporal Emergence

, Authors: mazen zaino
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-brblf-v2
 
Subject: Engineering
,
Working Paper
, Title:

Applications of the Open-Source Energy Modelling System (OSeMOSYS): An Updated Literature Review (2024–2025)

, Authors: Fernando Plazas-Niño
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-dfxk7
 
Subject: Mathematics
,
Working Paper
, Title:

Primes in almost all short intervals II

, Authors: Runbo Li
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-jrnjl
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Quantum Vacuum Universe: Vacuum Stiffness as a Bridge Between Microphysics, Gravitation and Cosmology

, Authors: RANDALL SIMPSON
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-6kz5s
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Origin of Particles and Stability of the Universe - Matter is born from Light

, Authors: roberto bani
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-z37xt
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

High-Frequency Suppression and Pseudo-Inversion of Weighted Frame Operators near Black Hole Horizons: A Rindler Model

, Authors: Anik Chakraborty
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-dl7v7
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Crystal Atom - Stability Forms of the Atomic Nucleus

, Authors: roberto bani
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-nn97z
 
Subject: Materials Science
,
Working Paper
, Title:

l_bnl_compress: Lossy but not lossy compression, a Python script to compress MX data

, Authors: Herbert J. Bernstein, Jean Jakoncic
Version undefined posted 17 October 2025
Posted
Oct 17, 2025
10.33774/coe-2025-rhz7g
 
Subject: Philosophy
,
Working Paper
, Title:

Ontomathematical postmodernity. I “Philosophie als strenge Wissenschaft”, but not after Husserl: Reframing Hegel’s dialectic logic

, Authors: Vasil Penchev
Version undefined posted 18 October 2025
Posted
Oct 18, 2025
10.33774/coe-2025-0brlf
 
Subject: Economics
,
Working Paper
, Title:

Enhancing Sustainable Development Goals (SDGs) Literacy Through SIGLA SDG Discussion-Based Game

, Authors: Jameson Estrada, Achmad Room Fitrianto, Renato Salcedo, Lea Sheraine Navarro
Version undefined posted 19 October 2025
Posted
Oct 19, 2025
10.33774/coe-2025-bcsrs
 
Subject: Economics
,
Working Paper
, Title:

ANALYSIS OF THE EFFECT OF AN OIL PRICE LEVEL ON THE SELECTED MACROECONOMIC VARIABLES IN PHILIPPINES (1990-2019)

, Authors: Araceli Cacatian, Nica Austria, Valentino De Leon
Version undefined posted 19 October 2025
Posted
Oct 19, 2025
10.33774/coe-2025-d7kgx
 
Subject: Chemistry
,
Working Paper
, Title:

High-resolution Photoelectron Spectroscopy of Cryogenically Cooled TiO2CH3OH−: An Investigation of Methanol Splitting by TiO2−/0

, Authors: Korina Vlahos, Martin DeWitt, Daniel Neumark
Version undefined posted 20 October 2025
Posted
Oct 20, 2025
10.26434/chemrxiv-2025-c97r0
 
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