Archive | ChemRxiv | Cambridge Open Engage

Impact of the Long Cationic Chain in CTAB Surfactant on Solvated Electron Dynamics

Ahmed M. El-Zohry

10.26434/chemrxiv-2025-3gxw6

Posted

Mar 01, 2025

Yue Shi, Jiaxin Tian, Haoyuan Li

MlCOFSyn: A Machine Learning Framework to Facilitate the Synthesis of 2D Covalent Organic Frameworks

10.26434/chemrxiv-2025-j5g73

Posted

Mar 01, 2025

Polymer Science

Luis Quirós-Montes, David Presa-Soto, Raquel de la Campa, Gabino A. Carriedo, Alejandro Presa Soto

Concentration-Driven Reversible Morphological Transitions by the Self-Assembly of Crystalline-Coil Polyphosphazene-b-Polyestyrene (PP-b-PS) Block Copolymers

10.26434/chemrxiv-2025-j2jn3

Posted

Mar 01, 2025

Dipangkali Sarma, Sai Ramesh

Excited State Proton Transfer in 2-(Oxazol-2-yl)-3-hydroxychromone

10.26434/chemrxiv-2025-m27dr

Posted

Mar 01, 2025

Materials Science

Review

Interplay of structural and electronic properties and their impact on thin films of metal-free organic radicals (Final report on DFG funded projects, reference number: CA852/11-1 and CA852/11-3, Project number: 394233453)

Maria Benedetta Casu

10.26434/chemrxiv-2025-zjxth

Posted

Mar 01, 2025

Review

When Theory Came First: A Review of Theoretical Chemical Predictions Ahead of Experiments

Mario Barbatti

10.26434/chemrxiv-2025-gn7lm

Posted

Mar 01, 2025

Analytical Chemistry

Amir Mohseni Armaki, Yaqi Guo, Majid Ahmadi, Roan Streefland, Patrick S. Bäuerlein, Arjan Mol, Sidhant Kumar, Peyman Taheri

Ion Sensing based on Frequency-Dependent Physico-Chemical Processes at Electrode/Electrolyte Interfaces

10.26434/chemrxiv-2025-mcm8g

Posted

Mar 01, 2025

Materials Science

Ludovica Ceroni, Tianqi Feng, Laura Calvillo, Stefano Casalini, Patrick van Rijn, Enzo Menna

Quaternary ammonium-functionalized carbon nanotubes/alginate nanocomposite hydrogels support myoblast growth and differentiation

10.26434/chemrxiv-2025-j87l1

Posted

Mar 01, 2025

Organic Chemistry

Yanmei Li, Emily Kryvorutsky, Yuanwei Zhang, Pier Alexandre Champagne

Leveraging thiocarbonyls for the rapid release of COS/H2S from photocaged thionocarbamates

10.26434/chemrxiv-2025-v9kjf

Posted

Mar 01, 2025

Shuhao Zhang, Roman Zubatyuk, Yinuo Yang, Adrian Roitberg, Olexandr Isayev

ANI-1xBB: an ANI based reactive potential

10.26434/chemrxiv-2025-m2nqq

Posted

Mar 01, 2025

Physical Chemistry

Stephen Meech, James Bull, Giovanni Bressan

Two-Dimensional Electronic Spectroscopy of Betaine-30

10.26434/chemrxiv-2025-k9rtv

Posted

Mar 01, 2025

Jorge Ferreira De Araujo, Jan Rossmeisl, Hanqing Yin, Xingli Wang, Alexander Bagger, Peter Strasser

Electrochemical CO2 valorization pathways and processes toward C2 to C6 products: acetylene, propylene, butadiene, and benzene

10.26434/chemrxiv-2025-ggjq5

Posted

Mar 01, 2025

Hosein Fooladi, Thi Ngoc Lan Vu, Johannes Kirchmair

Evaluating Machine Learning Models for Molecular Property Prediction: Performance and Robustness on Out-of-Distribution Data

10.26434/chemrxiv-2025-g1vjf

Posted

Mar 01, 2025

Biological and Medicinal Chemistry

Saheed Ayodeji, SHERYL ROBERTS, Destina Unaegbu, Allison Ingman

High-affinity probes for androgen receptor imaging: from cells to whole-body fluorescent applications

10.26434/chemrxiv-2025-40bvk

Posted

Mar 03, 2025

Organometallic Chemistry

Jan Locher, Sophie Jana Gross, Sebastian Dechert, Serhiy Demeshko, Lisa Vondung

Lanthanum and Gadolinium Complexes with Neutral Tertiary Phosphine Ligands: Synthesis, Structures, Magnetism and Bonding

10.26434/chemrxiv-2025-f7cmz

Posted

Mar 03, 2025

Biological and Medicinal Chemistry

Sifei Fang, Leslie D. Acevedo, Alexander J. Solivais, Xu Zhou, Elliot S. Delfosse, Brian L. Frey, Lloyd M. Smith, Jeffrey D. Martell

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

10.26434/chemrxiv-2025-07zmn

Posted

Mar 03, 2025

Materials Chemistry

Yuanhui Pan, Suman Saha, Matthew Burigana, Vivek Singh, Omar M. Yaghi, Francesco Paesani

Thermodynamics of Alkali Metal Ion Uptake from Aqueous Solution in MOF-808

10.26434/chemrxiv-2025-sv5d1

Posted

Mar 03, 2025

Alexis J. Wathan, Nicole Deschene, Joseph Litz, Isaiah Sumner

The lysine deprotonation mechanism in a ubiquitin conjugating enzyme

10.26434/chemrxiv-2025-g7j3n-v2

Posted

Mar 03, 2025

Physical Chemistry

Impact of charging in constant potential electrochemistry modeling

Henrik Kristoffersen

10.26434/chemrxiv-2024-8rm6t-v3

Posted

Mar 03, 2025

Earth, Space, and Environmental Chemistry

Jonathan Josh Ramtahal, Kugako Sugimoto, Samantha Phan, Yumiko Patouillet, Romain Troublé, Christine Luscombe, Sylvain Agostini

An integrated assessment of microplastic pollution in coastal surface water and sediment of Japan

10.26434/chemrxiv-2025-crmbc

Posted

Mar 03, 2025

David Degerman, Sara Boscolo Bibi, Bernadette Davies, Vladimir Grigorev, Aleksandr Kalinko, Tony Hansson, Sergey Koroidov

X-ray Absorption Spectroscopy Probing of Gold Electrooxidation Reveals Intermediate Surficial Au(I)

10.26434/chemrxiv-2025-kxk6r

Posted

Mar 03, 2025

Hongyang Su, Jing Chai, Zixian Guan, Hendrik Bluhm, Ziyuan Zhang, Yidan Cao, Zhi Liu, Yuan-hua Lin, William C. Chueh, Liang Zhang, Di Chen

Tuning f band for Enhanced Surface Redox in Strained Rare Earth Oxides

10.26434/chemrxiv-2025-s7cm0

Posted

Mar 03, 2025

Materials Science

Elena Willinger, Felix Donat, Claudiu Colbea, Marta Mirolo, Marc Willinger

The interplay between carbonate phases in promoted carbonation of MgO

10.26434/chemrxiv-2025-clc28

Posted

Mar 03, 2025

Chemical Engineering and Industrial Chemistry

Review

A perspective in data and software systems to streamline the transition towards a safer chemical end-of-life management

Jose Hernandez-Betancur, Gerardo Ruiz-Mercado

10.26434/chemrxiv-2025-06rq4

Posted

Mar 03, 2025

Shebual Sebastian, Vaughan Riley, Binuki Wanniarachchi, Chris Ritchie, Lars Goerigk

Spin-scaled double hybrids with range-separation solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation

10.26434/chemrxiv-2025-1mqbt

Posted

Mar 03, 2025

Organic Chemistry

Teppo Leino, Anton Bannykh, Toni Eskelinen, Andrey Belyaev, Petri Pihko

Amino-substituted 1,3-diazaazulenes: Synthesis, structural studies, reactivity, and photophysical properties

10.26434/chemrxiv-2025-5733v

Posted

Mar 03, 2025

Energy

Feng Wang, Yu-Hang Tang, Ze-Bing Ma, Yu-Cheng Jin, Jun Cheng

Soaring Chemical Space of Battery Electrolytes Using Universal Machine Learning Potential

10.26434/chemrxiv-2025-fnw1w

Posted

Mar 03, 2025

Chemical Engineering and Industrial Chemistry

Ashish Garg, Deepak Poddar, Faiz Ahmad, Sudip K. Pattanayek, Gaurav Goel

Elastoviscoplastic Model of Shellac-Butanol Solutions and its Application in Coated Paper Barrier Property Analysis

10.26434/chemrxiv-2025-sfckm

Posted

Mar 03, 2025

Organic Chemistry

Tavinder Singh, Yamato Ueno, Kosaku III Tanaka, Wataru Kanna, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita

β-Amino Acid Synthesis Using the CO2 Radical Anion under Electrochemical and Photochemical Conditions

10.26434/chemrxiv-2025-v4n0t

Posted

Mar 03, 2025

Pablo Lozano-Reis, Kai S. Exner

Unveiling selectivity trends for CO2 reduction reaction over Ti3C2Tx MXene: The key role of less-stable intermediate states and coadsorbates

10.26434/chemrxiv-2025-m4lm9

Posted

Mar 03, 2025

Naoaki Kamiya, Takeshi Yamamoto, Michinori Suginome

Helical Polymer-Based Polycarboxylate as Chiral Ligands in Cu-Catalyzed Enantioselective Diels–Alder Reaction in Water