Archive | Cambridge Open Engage

10.26434/chemrxiv-2024-prw8k-v2

Posted

Feb 03, 2025

Robert-Cristian Raclea, Marius Mewald, Kolby L. White, Mohammad Movassaghi

Total Synthesis of (+)-Hazuntiphylline, (–)-Anhydrohazuntiphyllidine, and (–)-Hazuntiphyllidine

10.26434/chemrxiv-2025-75jk6-v2

Posted

Feb 03, 2025

Mari C. Mañas-Torres, Paola Alletto, Simone Adorinni, Attilio Vargiu, Luis Alvarez de Cienfuegos, Silvia Marchesan

Racemic peptide assembly boosts biocatalysis

10.26434/chemrxiv-2025-0vknv

Posted

Feb 03, 2025

Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Sheikh, Michael Shirts, Matteo Salvalaglio

Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models

10.26434/chemrxiv-2024-1lm95-v3

Posted

Feb 03, 2025

Arun Asundi, Roel Bienenmann, Daniel Broere, Ritimukta Sarangi

X-ray Spectroscopy Characterization of Electronic Structure and Metal-Metal Bonding in Dicobalt Complexes

10.26434/chemrxiv-2024-dmm7x-v2

Posted

Feb 03, 2025

Artiom Skripka, Emory Chan

Unraveling the Myths and Mysteries of Photon Avalanching Nanoparticles

10.26434/chemrxiv-2024-70qxn-v2

Posted

Feb 03, 2025

Daniel Gutiérrez-Martín, Áurea Varela, Almudena Torres-Pardo, María Hernando, Emilio Matesanz, José María González-Calbet, David Portehault, Marina Parras

BaNiO3 electrocatalysts for oxygen evolution reaction: the role of synthetic methods

10.26434/chemrxiv-2024-n8bj6-v2

Posted

Feb 03, 2025

James Herterich, David Allwright, Daniel Bearup, Sabrina Kombrink, Daniel Herring, Zhixuan Liu, Zipeng Wu, Sam Olesker-Taylor

Non-contact ultrasound testing of batteries

Posted

Feb 03, 2025

10.33774/miir-2025-btsjk

Greta Charlotte Dahm, Usman Akhtar, Alix Bouvier-Müller, Laura Lim, Fabienne Levi-Acobas, Pierre Nicolas Bizat, Germain Niogret, Julian Tanner, Frédéric Ducongé, Marcel Hollenstein

Probing three-dimensional cyclooctatetraene as nucleobase modification in aptamer selection

10.26434/chemrxiv-2025-cglxw

Posted

Feb 03, 2025

Daniel Biri, Ashwin Kumar Rajagopalan, Marco Mazzotti

Autonomous Control of Crystal Size and Shape in Dense Suspensions via Imaging

10.26434/chemrxiv-2025-ft8mt

Posted

Feb 03, 2025

Timothy Schwantes, Dylan Medina, Brittney Morgan, Abhinandan Banerjee

Green beginnings: creating an affordable advanced enquiry-based experimental nanochemistry learning module with catalytically active ‘green’ iron oxide nanoparticles (IONPs)

10.26434/chemrxiv-2025-d4vtl

Posted

Feb 03, 2025

Lukas Forschner, Jan-Luca Gembus, Lars Schücke, Peter Awakowicz, Andrew R. Gibson, Timo Jacob, Albert Kilian Engstfeld

Statistical Analysis of the Dynamic Behavior of Individual Discharges During the Ignition and Continuous Phases of Contact Glow Discharge Electrolysis

10.26434/chemrxiv-2025-2v2p7

Posted

Feb 03, 2025

Jakub Wosik, Chaoyi Zhu, S. Hessam M. Mehr

A framework for general-purpose chemical synthesis in the aerosol phase and its automated implementation in an open hardware platform

10.26434/chemrxiv-2025-mkmn0

Posted

Feb 03, 2025

Peter Skrdla, Peter Simon

Isoconversional Methods of Thermal Analysis are Incompatible with Turnbull-Fisher Kinetics: Case Study of Crystallization of Piperine from the Melt

10.26434/chemrxiv-2025-jbvlq

Posted

Feb 03, 2025

Ayari Yamada, Daichi Eguchi, Tokuhisa Kawawaki, Yuichi Negishi, Naoto Tamai

Structure–Property Relationship between Copper Ions and Hot Electron Relaxation in Colloidal Quantum Dots

10.26434/chemrxiv-2025-6ngh9

Posted

Feb 03, 2025

Nikolaos - Angelos Stamos, Benjamin Ries, Regina Schneider, Pavleta Tzvetkova, Florian Montel, Christian Jandl, Ulrike Werthmann

Beyond Barriers, Big Crystallisation Hurdles: Atropisomerism in bRo5 Compounds Explored by Computational and NMR Studies

10.26434/chemrxiv-2025-rz4q6

Posted

Feb 03, 2025

Beta Achromi Nurohmah, Motonori Washisaka, Tsuyoshi Kawai, Tsumoru Morimoto

Photorelease Reaction of Alcohol from 1,4-Naphthoquinone-based Photodegradable Molecules

10.26434/chemrxiv-2025-0tls5

Posted

Feb 03, 2025

Hong Thu Duong, Bruno Ortner, Alexander Sutor, Bastien Oliver Burek, Jonathan Bloh

Intensification of Heterogeneous Photocatalytic Reactions using Wireless Light Emitters: The Case Study of Nitrobenzene Reduction

10.26434/chemrxiv-2025-lbw1b

Posted

Feb 03, 2025

A3A-ligand evolution against anti-hypermutational human metastasis

julio coll

10.26434/chemrxiv-2025-0tc6t

Posted

Feb 03, 2025

Reza Sabouri, Bradley Ladewig, Nicholaus Prasetya

A Comprehensive Review and Evaluation of the Hydrogen Separation Performance of Mixed Matrix Membranes

10.26434/chemrxiv-2025-3fw6x

Posted

Feb 03, 2025

Natasha Perry, Gerold Schmitt-Ulms, Pavel Nagorny

Development of CPA-Catalyzed b-Selective Reductive Amination of Cardenolides for the Synthesis of Hydrolytically Stable Analogs

10.26434/chemrxiv-2025-6tnwz

Posted

Feb 03, 2025

Léo Sifringer, Daniel Laguna, Michel Sommer, Janos Vörös

A Multilayer Template Stripping Transfer Printing Method for Engineered Stretchable Electronics

10.26434/chemrxiv-2025-pqnlq-v2

Posted

Feb 03, 2025

Maria Lígia Sousa, Leonor Ferreira, Dora Ferreira, Abel M Forero, Raquel Castelo-Branco, Nikoletta Szemerédi, Gabriella Spengler, Jaime Rodríguez, Carlos Jiménez, Pedro N Leão, Vitor Vasconcelos, Mariana Reis

Decoding Lusichelins A-E: An In-Depth Look at the Metallophores of Lusitaniella coriacea LEGE 07167 – Structure, Production, and Functionality

10.26434/chemrxiv-2025-63fgd

Posted

Feb 03, 2025

Taking the Temperature of Campus Discussion: A Student-Centred Approach to Teaching Through Conflict

Dax D'Orazio

Posted

Feb 03, 2025

10.33774/apsa-2025-6pw1h

Nicole Huffman, John Kane, David Stack

Worth a Try? The Electoral Consequences of Symbolic Legislation

Posted

Feb 03, 2025

10.33774/apsa-2025-ds4h5

Informed Citizens: Teaching Least Biased Sources in an Age of Misinformation

Mark Springer

Posted

Feb 03, 2025

10.33774/apsa-2025-5g29w

Teaching U.S. Politics to Support Multiracial Democracy

Janet L. Donavan

Posted

Feb 03, 2025

10.33774/apsa-2025-f5gd0

Student Career Development Within Core Political Science Courses

Joel Clark

Posted

Feb 03, 2025

10.33774/apsa-2025-7mhcl

D.C. Caivano, Nandini Deo

Decolonizing Political Science Teaching: Students Matter

Posted

Feb 03, 2025

10.33774/apsa-2025-h9bzs

Katelyn Kelly, Renée Van Vechten

Battling the Covid Hangover: Reconsidering Students’ Relationship to the Academy

10.33774/apsa-2025-t1dmz-v2

Posted

Feb 03, 2025

Diana Owen, Donna Phillips

Conceptualizing and Measuring Civic SEL

Posted

Feb 03, 2025

10.33774/apsa-2025-f9f5j

John Davis, Lyndyn Mosser, Laura Newton

"Rise Up and Vote:" An Exploration of Interview-Based Assessment of Student Views on Voting and Student-Centered Experiential Learning

Posted

Feb 03, 2025

10.33774/apsa-2025-wxx3m

Assessing the Efficacy of CUREs in Political Science

Jenna Becker Kane

Posted

Feb 03, 2025

10.33774/apsa-2025-sf2n6

Nadine Gibson, Ann Rotchford

Civil Civic Engagement: Integrating Civic Engagement into the College Curriculum

Posted

Feb 03, 2025

10.33774/apsa-2025-lf0k1

Stuart Ibsen, Alaric William Taylor, Luis Antonio Serrano González, Christian Siebel, Elena Marangon, Giuseppe Toffoli, Joachim Boos, Stefan Guldin

Self-Contained Cartridge for Thin Layer Chromatography Based Quantification of Chemotherapy Concentration in Human Clinical Plasma Samples

10.26434/chemrxiv-2025-m6dzz

Posted

Feb 04, 2025

Yash Mishra, Dara Kiran, Hari Mahalingam

Development and Assessment of Boron, Cerium, and Silver Ternary-Doped Titanium Dioxide Photocatalysts for the UV-A Degradation of Ciprofloxacin Antibiotic

10.26434/chemrxiv-2025-0z4rr

Posted

Feb 04, 2025

Dana O'Connor, Paola Buitrago

Examining the Influence of Graph Representation on Property Prediction of Polymorphic Organic Molecular Crystals

10.26434/chemrxiv-2025-9xjh5

Posted

Feb 04, 2025

Eszter Kozma, Ágnes Szatmári, Tibor Novák, György Török, Ivana Nikić-Spiegel, Attila Kormos, Gergely B. Cserép, Alexandra Egyed, Ágnes Horváth, Krisztina Németh, Réka Kereszty, Elvira Czvik, Miklós Erdélyi, Péter Kele

Toward Far-red Emitting Chemogenetic Labelling for Live Cell Super-Resolution Microscopy using Fluorescence-Activating and Absorption-Shifting Tag

10.26434/chemrxiv-2025-k7vd4

Posted

Feb 04, 2025

Roman Belli, Jenna Humke, Sanu Pullarat, Erin Plasek, Sallu Kargbo, Courtney Roberts

Expanding Access to Previously Inaccessible 5-Membered N-Heteroarynes

10.26434/chemrxiv-2024-p68lm-v2

Posted

Feb 04, 2025

Kariana Moreno Sader, Sayandeep Biswas, Rob Jones, Marian Mennig, Reza Rezaei, William H. Green

Battery Electric Long-Haul Trucking in the United States: A Comprehensive Costing and Emissions Analysis

10.26434/chemrxiv-2023-48zsc-v2

Posted

Feb 04, 2025

Kavisha A. Sarma, Isis A. Middleton, Man H. Chak, Jake P. Violi, Mohan Bhadbhade, Jonathon Beves

Ruthenium(II) complexes with photoswitchable and photoejectable ligands

10.26434/chemrxiv-2025-3sffc

Posted

Feb 04, 2025

Kristian Torstensen, Florian Sixt, Abraham Alemayehu, Nicholas S. Settineri, Abhik Ghosh

Doubly Stereogenic Sandwich Compounds: Separation and Characterization of Diastereomeric Metallobiscorroles

10.26434/chemrxiv-2025-2xq3l

Posted

Feb 04, 2025

Gabriela Valle-Núñez, Raziel Cedillo-González, Juan F. Avellaneda-Tamayo, Fernanda I. Saldívar González, Diana L. Prado-Romero, José L. Medina-Franco

Machine learning-driven antiviral libraries targeting respiratory viruses

10.26434/chemrxiv-2025-bwdjj

Posted

Feb 04, 2025

Rosmi Reji, Juan P. Vizuet, Xiaoli Yan, Biki Behera, Xin Zheng, Matthew Klenk, Nicholas P. Weingartz, George T. Kostopoulos, Lin X. Chen, Neeraj Agarwal, Peter Zapol, Eliu A. Huerta, Murat Keceli, Ksenija Glusac

Product Selectivity in Photochemical CO2 Reduction by a Post-synthetically Modified Zr-MOF

10.26434/chemrxiv-2025-jjcbv

Posted

Feb 04, 2025

Mengqi TANG, Alexandre Chevillot-Biraud, Stéphanie Lau-Truong, Ahmed Mohamed Khalil, Mohamed Mehdi Chehimi

Understanding the pyrolysis-assisted conversion of metal salt-impregnated biomass into biogas and nanocatalyst-coated porous biochar

10.26434/chemrxiv-2025-s2s0r

Posted

Feb 04, 2025

Michael Liesen, Ryan Hayes, Charles Brooks, Jonah Vilseck

Multiple Molecule λ-Dynamics: Probing Drug Resistance with Concurrent Protein and Ligand Perturbations

10.26434/chemrxiv-2025-m0129

Posted

Feb 04, 2025

Nitesh Tripathi, Arnab Chowdhury, Neelam Verma, Anupam Bandyopadhyay

Introducing the potential binding interface between the TRAIL-mimicking peptide and DR5 via alanine scan

10.26434/chemrxiv-2025-x2921

Posted

Feb 04, 2025

PARADOXES OF GRAVITY: Newton's Law Does Not Work at Large Distances, but... it's too early to throw it in the scrapheap.

Mykola Kosinov

10.33774/coe-2024-6fr81-v2

Posted

Feb 04, 2025

PROPERTIES, EFFECTS AND CHEMICAL & BIOLOGICAL METHOD OF SYNTHESIS OF SILVER NANOPARTICLES

VARUN MALI

10.26434/chemrxiv-2025-kclgf

Posted

Feb 04, 2025

Yiwen Zheng, Vikas Varshney, Aniruddh Vashisth

Accelerated ReaxFF Simulations of Vitrimers with Dynamic Covalent Adaptive Networks

10.26434/chemrxiv-2025-5vptv

Posted

Feb 04, 2025

Kosuke Yasui, Masayuki Miyaoka, Yuichiro Tomishima, Koji Hirano

Stereoselective Generation and Use of α-Fluorovinyl Radicals via Mesolytic Cleavage of C(sp2)–S Bond of α-Fluorovinyl Sulfoximines

10.26434/chemrxiv-2025-1kzz4

Posted

Feb 04, 2025

Shinnosuke Horiuchi, Shota Ogura, Kazuya Otsubo, Yuka Ikemoto, Hisao Kiuchi, Go Watanabe, Osamu Takahashi, Mikihiro Hayashi, Eri Sakuda, Yasuhiro Arikawa, Keisuke Umakoshi, Yoshihisa Harada

Low-entropy Supramolecular Crystals: Elucidating the Inhomogeneity of Interfacial Water Molecules at Atomic Resolution

10.26434/chemrxiv-2025-gl0qz

Posted

Feb 04, 2025

Woei Jer Ng, Aydar Rakhmatullin, Kateryna Goloviznina, Mathieu Salanne, Catherine Bessada

Structural Dynamics of Molten NaCl–MgCl2–LaCl3: A Proxy for Molten Chloride Fast Reactor Fuels

10.26434/chemrxiv-2025-q6l1t

Posted

Feb 04, 2025

Claudia F. Echavarría, Daniel Kocsi, Mohamed Abdellah, Starla Glover, Sara H Mejias

The relevance of amino acid-chromophore interactions in protein conformational changes and their impact on chromophore relaxation dynamics

10.26434/chemrxiv-2025-5krws

Posted

Feb 04, 2025

André Matthew R. Tayamen, Sam Amsterdam, Wesley Chang

A model-informed analysis of battery electrodes using non-contact air-coupled ultrasound

10.26434/chemrxiv-2025-957c0

Posted

Feb 04, 2025

Solomon Attionu, Rita Dill, Michael Summers, David Case, Jan Marchant, T Kwaku Dayie

Enhanced Line Narrowing of Selectively Labeled [9-15N] Guanosine Enables Probing of Large RNAs

10.26434/chemrxiv-2025-hftft

Posted

Feb 04, 2025

#GlobalJustice?: Social Media, Pedagogy and Activism

Madeleine Le Bourdon

Posted

Feb 04, 2025

10.33774/apsa-2025-00j9g

Does Civic Education Improve Ethnic Tolerance?

Jeremy Siow

10.33774/apsa-2024-8rjlt-v2

Posted

Feb 04, 2025

Routes into internationalizing and de-colonizing the Curriculum in Political Science 10 years on from EPS symposium: the potential role of feminist pedagogies

Rose Gann

Posted

Feb 04, 2025

10.33774/apsa-2025-2wk5t

Psychiatry

Abstract

Beyond Cause and Consequence: Addressing the Complexities of Mood Disorders and Circadian Rhythms by Including Lived Experience

James Downs

Posted

Feb 04, 2025

10.33774/coe-2025-cdzmb

Daniel Manhouli Daawe, Cedric Karel Fonzeu Monguen, Stephane Kenmoe, Patrick Kouotou Mountapmbeme

Investigation of Mn-doping effects on the structural, morphological, thermal, and catalytic properties of Co3O 4 spinel nanoparticles towards CO oxidation

10.26434/chemrxiv-2025-v6kxz

Posted

Feb 05, 2025

Runhan Shi, Chi Zhang, Gufeng Yu, Xiaohong Huo, Yang Yang

ChiralFinder: Automated Detection of Stereogenic Elements and Discrimination of Stereoisomers in Complex Molecules

10.26434/chemrxiv-2025-wz7kh

Posted

Feb 05, 2025

Sree Chithra, Corentin Pigot, Claire Tonnelé, David Casanova, Victor Gray

Chemical Insights to the Electron Transfer from the Triplet Pair State in Singlet Fission Dimers

10.26434/chemrxiv-2025-jw8kc

Posted

Feb 05, 2025

Dario Gomez Vazquez, Travis P. Pollard, Oleg Borodin, Maria R. Lukatskaya

Measuring Zn Transference with Precision: Insights for Dendrite-Free Zinc Metal Anodes

10.26434/chemrxiv-2025-2zrpp

Posted

Feb 05, 2025

Ioannis Kanavos, Douglas Nakahata, Madeleine Barrett, Ancély Ferreira dos Santos, Maria Zubiria-Ulacia, German Pieslinger, Ana Beatriz da Silva Teixeira, Clarissa Rocha, Jonas Eberle, Ryszard Lobinski, Jon Matxain, Matthew Hall, José Pedro Friedmann Angeli, Elias Arnér, Luisa Ronga, Raphael de Paiva

Selective Arylation of Se vs. S by Gold Compounds: Consequences for GPx Inhibition and A375 Sensitivity

10.26434/chemrxiv-2025-h2pz5

Posted

Feb 05, 2025

Konstantin Stracke, Babak Farhadi Jahromi, Guido H. Clever, Rochus Schmid

A Collective Variable for the Control of Solvation in Cage Compounds

10.26434/chemrxiv-2025-r8sgw

Posted

Feb 05, 2025

Luis M. Negrón, Edwin Vázquez-Rosa, Luxene Belfleur, Tanya L. Díaz, Bismark Madera-Soto, Irving E. Vega, Jose M. Rivera

Guanosine-based supramolecular particles for enhanced drug and gene delivery in cell culture

10.26434/chemrxiv-2025-qm64k

Posted

Feb 05, 2025

Marie-Hélène Pietraru, Antonin Homassel, Emmanuel Nicolas, Thibault Cantat

Simplified carbonylation catalyst based on [Co2(CO)8] and coordinating solvents for the carbonylation of β-lactones and α,β-unsaturated acids to cyclic anhydrides

10.26434/chemrxiv-2024-07h4m-v2

Posted

Feb 05, 2025

On the Photosensitizing Properties of Aloe-Emodin in Photodynamic Therapy: Insights from the Molecular Modeling

Maciej Spiegel

10.26434/chemrxiv-2025-spzw3-v3

Posted

Feb 05, 2025

Rina Mishima, Takuro Nagai, Hiroyo Segawa, Masahiro Ehara, Takashi Uchino

Atomic-Scale Observation of Moiré potential in Twisted Hexagonal Boron Nitride Layers by Electron Microscopy

10.26434/chemrxiv-2024-hbbfj-v2

Posted

Feb 05, 2025

Debtanu Maiti, Michael Harold, Lars Grabow

Single atom alloys 2.0: Exploiting undercoordination for stronger dissociative CH4 chemisorption

10.26434/chemrxiv-2024-vhmz3-v2

Posted

Feb 05, 2025

Pravat Nayek, Buddhadeb Pal, Prasenjit Mal

Visible-Light Photocatalysis Using CsPbX3 Perovskite Nanocrystals for Organic Transformations

10.26434/chemrxiv-2025-vdjb1-v2

Posted

Feb 05, 2025

Christian Chaheine, Louis Conway, Christopher Parker

Fully-Functionalized Natural Product Probes to Expand the Chemical Tractability of the Human Proteome

10.26434/chemrxiv-2025-hfmv4-v2

Posted

Feb 05, 2025

Xin Zheng, Nikita Gupta, Haiying He, Jasleen K. Bindra, Subharaj Hossain, Juan P. Vizuet, Atefeh Nadeali, Danial Zangeneh, Roushan Prakash Singh, Robert F. Klie, Brian P. Chaplin, Kenneth Brezinsky, Oleg G. Poluektov, Jens Niklas, Peter Zapol, Ksenija D. Glusac

Novel Light-Responsive Metal-Organic Framework with Perchlorinated Nanographene Ligands

10.26434/chemrxiv-2025-pl8s1

Posted

Feb 05, 2025

Federico Caimi, Juliette Langlais, Francesco Fontana, Sreekar Wunnava, Tommaso Bellini, Dieter Braun, Tommaso Pietro FRACCIA

High-yield prebiotic polymerization of 2’,3’-cyclic nucleotides under wet-dry cycling

10.26434/chemrxiv-2025-2p0ln

Posted

Feb 05, 2025

Marianna Barbalinardo, Francesca Chiarini, Gabriella Teti, Francesca Paganelli, Elisa Mercadelli, Andrea Bartoletti, Andrea Migliori, Manuela Piazzi, Jessika Bertacchini, Paola Sena, Alessandra Sanson, Mirella Falconi, Carla Palumbo, Massimiliano Cavallini, Denis Gentili

Surface charge overrides protein corona formation in determining the cytotoxicity, cellular uptake, and biodistribution of silver nanoparticles

10.26434/chemrxiv-2025-lj16r-v2

Posted

Feb 05, 2025

Masashi Serizawa, Pieter van Delft, Peter J. Schoenmakers, Ron A. H. Peters, Andrea F.G. Gargano

Size-exclusion chromatography–electrospray-ionization mass spectrometry to characterize end group and chemical distribution of poly(lactide-co-glycolide) co-polymers

10.26434/chemrxiv-2024-3c8dz-v2

Posted

Feb 05, 2025

Nadzeya Brezhneva, Jacob Schneidewind

Testing of particulate photocatalysts for water splitting

10.26434/chemrxiv-2025-p3gkp

Posted

Feb 05, 2025

Photoluminescent rare-earth qubits embedded in a metal−organic framework as candidates for optical quantum memories

Xiya Du, Lei Sun

10.26434/chemrxiv-2025-zwlnt

Posted

Feb 05, 2025

Avraz Anwar, Juan Del Valle

Optimized monomer-based synthesis of poly-N-amino peptides

10.26434/chemrxiv-2025-ctvjv

Posted

Feb 05, 2025

Onur K. Polat, Hurriyet Polat, Merve C. Eren, Mehmet Polat, Nuket Zeybek, Kyle M. Koss

Intactness of Synthetic vs. Natural Polymeric Micelles in Physiological Conditions: A Comparative Review

10.26434/chemrxiv-2025-pjbfg

Posted

Feb 05, 2025

Ayesha Begum, Manjur Oyasim Akram, Caleb Martin

Dearomative C2–Borylation of Indoles

10.26434/chemrxiv-2025-l0ptc

Posted

Feb 05, 2025

Inhee Park, Florian Hausen, Helmut Baltruschat

The Effect of Monolayers on Atomic-scale Friction in Aprotic Electrolytes: Underpotential Deposition (UPD) of Silver on I-modified Au(111)

10.26434/chemrxiv-2025-dz1fs

Posted

Feb 05, 2025

Atharva S. Burte, Abeer O. Abouthman, Shreya Thakkar, Nicholas Capra, Joshua Gopeesingh, Omar A. Abdelrahman

Chromatographic Dynamic Chemisorption: An Alternative to Conventional Estimation of Metallic Dispersion

10.26434/chemrxiv-2025-4610b

Posted

Feb 05, 2025

Keldy Mason, Ji-Won Kim, Elizabeth Recker, Jenna Nymick, Mingyu Shi, Franz Stolpen, Jaechul Ju, Zachariah Page

Multicolor Digital Light Processing 3D Printing Enables Dissolvable Supports for Freestanding and Non-Assembly Structures

10.26434/chemrxiv-2025-m4ml8

Posted

Feb 05, 2025

Amelie Teresa Heinen, Saskia Heermant, Daniel Christian Lauster, Stephan Block, Jacek Kozuch

Label-Free Detection of Virus-Membrane Interactions Using Surface-Enhanced Infrared Absorption (SEIRA) Spectroscopy

10.26434/chemrxiv-2025-xhrdt

Posted

Feb 05, 2025

Tomohiko Nishiuchi, Shino Takeuchi, Takashi Kubo

[5]Cumulene Bridged Tri(9-anthryl)methyl Dimer

10.26434/chemrxiv-2025-g8q8d

Posted

Feb 05, 2025

Zhen-Nan Shen, Wenda Bao, Zhengzheng Dang, He Li, Rongliang Shang, Mengyu Hu, Yanming Wang, Jin Xie, Bo Qiao

Predicting the Ionic Conductivity and Obtaining Mechanistic Insights of Plasticized Solid Polymer Electrolytes Using a Data-Driven Approach

10.26434/chemrxiv-2025-mtmkb

Posted

Feb 05, 2025

Yuxin Shi, Yuudai Iwai, Benjamin Le Ouay, Masaaki Ohba, Ryo Ohtani

Post-synthetic breaking of inversion symmetry in metal complex-based host–guest systems

10.26434/chemrxiv-2025-r7qsq

Posted

Feb 05, 2025

Niklas von Rhein, Jian Liang Low, Charlotte Gallenkamp, Beate Paulus, Vera Krewald

Pyrrolic FeN4 models for FeNC catalysts: the influence of planarity on electronic properties and Mössbauer parameters

10.26434/chemrxiv-2025-9hstm-v2

Posted

Feb 05, 2025

Darja Rohden, Giorgia Toscano, Paul Schanda, Roman Lichtenecker

Synthesis of Selectively 13C/2H/15N-Labelled Arginine to Probe Protein Conformation and Interaction by NMR Spectroscopy

10.26434/chemrxiv-2025-dxwrr

Posted

Feb 05, 2025

Carlotta Seno, Christopher B Whitehead, David E Salazar Marcano, Ian Chaon, Jonathan De Roo

Kinetic analysis of Group 4 Metal Oxide Nanocrystal synthesis in the presence of phosphine oxide ligands

10.26434/chemrxiv-2025-kst2w

Posted

Feb 05, 2025

Yasuhiro Kobori, Kousuke Higashi, Tsubasa Okamoto, Nanami Iwaya, Eri Sakuda, Christopher Kay, Tadaaki Ikoma

Vibronic Trimer Design Enhancing Intramolecular Triplet-Exciton Hopping to Accelerate Triplet-Triplet Annihilation for Photon Upconversion

10.26434/chemrxiv-2025-fkfwh

Posted

Feb 05, 2025

Qiang Zhu, Limu Hu, Chang Cui, Min Zang, Hao Dong, Jing Ma

Decoding Hairpin Structure Stability in Lin28-mediated Repression

10.26434/chemrxiv-2025-vrxkw

Posted

Feb 05, 2025

Michelle P. Duarte, Clara V. Diniz, Hudson A. Bicalho, Rafik Naccache, Ashlee J. Howarth

A Zirconium-based Metal–Organic Framework as an Effective Green Catalyst for the Synthesis of Biodiesel

10.26434/chemrxiv-2025-f37vv

Posted

Feb 05, 2025

Xiaoyu Yue, Tao Song, Jiaqi Cao, Xiaolong Zhang, Shuo Feng, Weiwei Shang, Jun Jiang, Linjiang Chen

IR-Bot: an autonomous robotic system for real-time chemical mixture analysis via infrared spectroscopy and machine learning

10.26434/chemrxiv-2025-8xp04

Posted

Feb 05, 2025

Ana Díaz-Fernández, Camen S. Ciudad, Natalia Díaz, Dimas Suárez, Noemí de-los-Santos-Álvarez, M. Jesús Lobo-Castañón

Refinement and Truncation of DNA Aptamers based on Molecular Dynamics Simulations: Computational Protocol and Experimental Validation

10.26434/chemrxiv-2025-k5mzk

Posted

Feb 05, 2025

Sabina Maurer, Monica McCallum

Specificity and Stereoselectivity of Cryptic Sulfotransferases

10.26434/chemrxiv-2025-gkxn3

Posted

Feb 05, 2025

Ryan Anderson, Takuya Akiyama, Ian Tonks

Synthesis and Ring-Opening Polymerization of Lactones Derived from the Cotelomerization of Isoprene, Butadiene, and CO2

10.26434/chemrxiv-2025-zgm2v

Posted

Feb 05, 2025

Economics

John Michael Riveros-Gavilanes

Municipality Synthetic Gini Index for Colombia: A Machine Learning Approach

Posted

Feb 05, 2025

10.33774/coe-2025-qg1m2

Teaching Political Economy: Multi- and Interdisciplinary Approaches

Richard T. Ashcroft

Posted

Feb 05, 2025

10.33774/apsa-2025-5pqqf

Teaching the Political Science-Political Theory Divide: Insights from Course Design for Research Tutorials

Daniel T. Roberts

Posted

Feb 05, 2025

10.33774/apsa-2025-qm2ps

Collaborative Online International Learning (COIL) at a Community College

Helen Chang

Posted

Feb 05, 2025

10.33774/apsa-2025-05ml5

Sávio Bertoli, Jesús Apolinar-Hernández, Carolina Krebs de Souza, Marcel Jeferson Gonçalves, Cíntia Soares, Natan Padoin

A Fast and Accurate Semi-Analytical Solution for Lumped Models of Co-Current Moving Bed Reactors

10.26434/chemrxiv-2024-t30tv-v3

Posted

Feb 06, 2025

Mason J Handford, Yuexin Li, Terry Riscoe, Katherine Liebman, Michael K Riscoe

Discovery of amodiachins, a novel class of 4-aminoquinoline antimalarials active against multi-drug resistant Plasmodium falciparum.

10.26434/chemrxiv-2023-lnkrm-v2

Posted

Feb 06, 2025

Theodore A. Chavkin, Leonardo D. Gonzalez, Brenda Cansino-Loeza, Rebecca Larson, Brian F. Pfleger, Victor M. Zavala

Co-Design of Cyanobacteria Mutant Strains and Processes for Phosphorus Recovery from Livestock Wastewater

10.26434/chemrxiv-2025-3n9sd-v2

Posted

Feb 06, 2025

John S. Albin, Gha Young Lee, Corey Johnson, Dimuthu Ashcharya Vithanage, Wayne Vuong, Bradley L. Pentelute

Rapid Generation of Hyperdiverse Chemical Libraries

10.26434/chemrxiv-2024-60bwl-v4

Posted

Feb 06, 2025

Geometry optimization of novel Ga-HBED complex isomers: insights into inorganic synthesis

JOSEMAR CUEVA BENAVIDES

10.26434/chemrxiv-2025-h36b6

Posted

Feb 06, 2025

Kohei Motoki, Hirotoshi Mori

Nuclear Coupled Electronic States Analyses Expose Nuclear Quantum Effects in Nucleobase Pairs

10.26434/chemrxiv-2025-81k3n

Posted

Feb 06, 2025

Moritz L. Weber, Moritz Kindelmann, Dylan Jennings, Jan Hoelschke, Regina Dittmann, Joachim Mayer, Wolfgang Rheinheimer, Xufei Fang, Felix Gunkel

Atomic-Scale Insights into Nanoparticle Exsolution from Dislocation- Engineered Host Oxides

10.26434/chemrxiv-2025-5s63g

Posted

Feb 06, 2025

Efficient Automated Workflow for Radical Reaction Networks in Environmental Disinfectants: A Peroxyacetic Acid Case Study with Machine Learning Interatomic Potentials

Fulin Shao, Weiying Li

10.26434/chemrxiv-2025-sz3pn

Posted

Feb 06, 2025

Dariush Hinderberger, Jörg Reichenwallner, Sebastian Michler, Christian Schwieger

Human Serum Albumin Loaded with Fatty Acids Reveals Complex Protein-Ligand Thermodynamics and Boleadora-Type Solution Dynamics Leading to Gelation

10.26434/chemrxiv-2025-7fhz2

Posted

Feb 06, 2025

Albert Sicre Conesa, Maria Marsal, Adrián Gómez-Sánchez, Pablo Loza-Álvarez, Anna de Juan

Multiscale and multimodal image fusion. Coping with differences in scanned area and spatial resolution for Raman/fluorescence images of labelled cells.

10.26434/chemrxiv-2025-gr8r6

Posted

Feb 06, 2025

Fabian Guba, Jana Timm, Hong Thu Duong, Aneta Pashkova, Jonathan Zacharias Bloh, Roland Marschall, Dirk Ziegenbalg

Photoreactors Manufactured from 3D-Printed (Photo-) Catalytic Materials

10.26434/chemrxiv-2025-t1x54

Posted

Feb 06, 2025

Julian Radicke, Vanessa Jerschabek, Haleh Hashemi Haeri, Muhammad Abu-Bakar, Dariush Hinderberger, Jörg Kreßler, Karsten Busse

NMR- and EPR spectroscopic characterization of S4N4 and (SN)x dissolved in [EMIm][OAc]

10.26434/chemrxiv-2025-3bx69

Posted

Feb 06, 2025

Patrick Giesbrecht, Matt Margeson, Mita Dasog, Michael Freund

Light Enhanced Water Dissociation in Bipolar Membranes

10.26434/chemrxiv-2025-c3l3k

Posted

Feb 06, 2025

Haleh Hashemi Haeri, Andreas H. Kampe, Zhanna Evgrafova, Johnny Siegert, Wolfgang H Binder, Dariush Hinderberger

Chemical structure-dependence of the thermal transition in thermoresponsive ethylene-glycol-containing polymers as characterized by EPR spectroscopy

10.26434/chemrxiv-2025-8m980

Posted

Feb 06, 2025

Wiljar Lobjakas, Christian Møgelberg Clausen, Jaak Nerut, Jan Rossmeisl

Platinum-Modified Cantor Alloys as High-Entropy Electrocatalysts for Oxygen Reduction Reaction

10.26434/chemrxiv-2025-slt2b

Posted

Feb 06, 2025

Franz Braun, Thomas-Oliver Nagel, Samuel Prinz, Jens Friedland, Robert Güttel

In situ Methanation on Mars: A Process Concept Study on the Impact of H2/CO2 and Recycle Ratio

10.26434/chemrxiv-2025-67f82

Posted

Feb 06, 2025

Jennifer Yao, Dushyant Barpaga, Rajesh Singh, Yucheng Fu, Charles Freeman, Richard Zheng, Zhijie Xu

Characterizing the effective contact angle for solvent and packing surface interaction in a packed column for CO2 capture

10.26434/chemrxiv-2025-m79bx

Posted

Feb 06, 2025

Marina Ramos-Martín, Joaquín García-Álvarez, Alejandro Presa Soto

Modular, Three-Component and Concurrent One-Pot Libraries of γ-Keto Sulfones and γ-Keto Phosphine Oxides. Brønsted Acidic Eutectic Mixtures Are the Answer

10.26434/chemrxiv-2025-fqj23

Posted

Feb 06, 2025

Fatemeh Rajabasadi, Silvia Moreno, Mercedes Gonzalez Rico, Pedro Viñola, Kristin Fichna, Franziska Hebenstreit, Susanne Boye, Andreas Janke, Dietmar Appelhans, Mariana Medina Sanchez

Smart Surface Engineering in Microcarriers: Towards Applications in Cancer Therapy

10.26434/chemrxiv-2025-2x123

Posted

Feb 06, 2025

Disha Kashyap, Thomas Milne, Michael Booth

Going nuclear: Improved antisense oligonucleotide activity through conjugation with a nuclear importer

10.26434/chemrxiv-2024-p6q7p-v2

Posted

Feb 06, 2025

Jeas Grejoy Andrews, Sunaina Sunaina, Tatek Temesgen Terfasa, Peter Kusalik, Kelly Rees, Yihao Wang, W. Russ Algar, Susana Y. Kimura

SONIC: A Speed of Sound Measurement for Nanobubble Characterization

10.26434/chemrxiv-2025-1h1kq

Posted

Feb 06, 2025

Verónica Ramírez-Cid, Ana L. Chávez-Hernández, Osvaldo Sánchez López, Raul Marques Novais, Temitayo Omowumi Alegbejo Price, Kamilla Moraes Alves, Wemenes J. Lima Silva, Flavio da Silva Emery, Carolina Horta Andrade, José L. Medina-Franco

Fragment libraries from large synthetic compounds and natural products: A comparative chemoinformatic analysis

10.26434/chemrxiv-2025-8x50r

Posted

Feb 06, 2025

The Need for a Best Practices Guide for Political Science Internships

Gloria Cox

Posted

Feb 06, 2025

10.33774/apsa-2025-34f17

Leah Merrill, Liza Williams

Teaching Genocide in the Twenty-First Century: A Comparative-Historical Approach

Posted

Feb 06, 2025

10.33774/apsa-2025-9dm16

Narratives of Divide: The Polarizing Power of Large Language Models in a Turbulent World

Khalid Saqr

Posted

Feb 06, 2025

10.33774/apsa-2025-0kqqv

Indigenizing the Curriculum in the Classroom: A Modest ‘How to’ Blueprint

Spyridon Kotsovilis

Posted

Feb 06, 2025

10.33774/apsa-2025-9h2n3

Leena Thacker Kumar, Christina Hughes, Clayton Cleveland

Integrating Generative AI and digital tools to Augment Student Creativity and productivity: A Case Study

Posted

Feb 06, 2025

10.33774/apsa-2025-nc5tx

Capstone: Merging Experiential Learning, Research, And 21st Century Pedagogy

Pearl Matibe

Posted

Feb 06, 2025

10.33774/apsa-2025-xfd5g

Kelly Shaw, Karen Kedrowski

Cyclone Civics: A Civic Literacy and Engagement Initiative at Iowa State University

Posted

Feb 06, 2025

10.33774/apsa-2025-w4030

Teaching Polarization and Populism through Active Learning

Yujin Julia Jung

Posted

Feb 06, 2025

10.33774/apsa-2025-zmv5z

Suguru Arii, Zonghan Yu, Hongyu Chen, Harunobu Mitsunuma, Motomu Kanai

Ion-Pair Hydrogen Atom Transfer Catalysis Enables Cr-Catalyzed Allylation of Ketones Using Hydrocarbon Alkenes

10.26434/chemrxiv-2025-h938v

Posted

Feb 07, 2025

Chen Chen, Lu-Yao Ding, Xiao-Xu Zhang, Guan-shen Chen, Yan-Ping Zhu, Chunjie Ni, Bolin Zhu

Nickel-Catalyzed Gas-Free Reductive Carbonylation of Aryl Thianthrenium Salts to Access Aryl Amides and Aryl Thioesters

10.26434/chemrxiv-2025-9bh5d

Posted

Feb 07, 2025

Yuchang Liu, J. D. Rolfes, Jan Deska

Asymmetric Ring Contraction of 2-Hydroxypyranones by Borrowing Hydrogen Biocatalysis

10.26434/chemrxiv-2025-9hpvb

Posted

Feb 07, 2025

Ryoko Oyama, Kaede Kawaguchi, Liliia Moshniaha, Yemineni S. L. V. Narayana, Dominik Madea, Kirill Mitrofanov, Harley Suchiang, Amal Jose, Ryota Kabe

Revealing Charge Accumulation Mechanisms in Organic Materials via Slow Transient Emission Spectroscopy

10.26434/chemrxiv-2025-fd2hp

Posted

Feb 07, 2025

Rebecca Lindsey, Awwal Oladipupo, Sorin Bastea, Bradley Steele, I-Feng William Kuo, Nir Goldman

Hierarchical Transfer Learning: An Agile and Equitable Strategy for Machine-Learning Interatomic Models

10.26434/chemrxiv-2024-523v8-v2

Posted

Feb 07, 2025

Raisa Shafique, Sushant Shekhar

Simulating Resistance Genes and Growth Dynamics in Antibiotic-Exposed Bacterial Populations

Posted

Feb 07, 2025

10.33774/coe-2025-n3sc1

Feichen Cui, Zhi-Kun Xie, Jixin Wu, Yue Zhang, Zhengyang Zhang, Jun Fu, Rongliang Shang, Yifu Ruan, Gengxin Liu, Yanming Wang, Jin Xie, Jiajun Yan, Bo Qiao

The Optimal Arm Length for Star Polymer Electrolytes

10.26434/chemrxiv-2025-qx1h3

Posted

Feb 07, 2025

Abir Das, Subramani Kumaran, Pritam Maity, J. Richard Premkumar, basker sundararaju

Cobalt-Catalyzed Enantioselective and Diasterodivergent Con-struction of Distal Chiral C-N Diaxes

10.26434/chemrxiv-2025-gknb0

Posted

Feb 07, 2025

Claire Seydoux, Matthew Bryan, Jean-Paul Barnes, Pierre-Henri Jouneau

Efficient denoising of mass spectrometry images by PCA-assisted self-supervised deep learning

10.26434/chemrxiv-2025-wcm8l

Posted

Feb 07, 2025

Meron Debas, Dinh Phuong Trinh Nguyen, Andreas F. M. Kilbinger, Artur G. Glavic, Heinz Amenitsch, Stefan Salentinig

Nanoconfined Photopolymerization in Self-Assembled Glycerol Monooleate, Hydroxyethyl Acrylate and Water Suprastructures

10.26434/chemrxiv-2025-bh7sc

Posted

Feb 07, 2025

Adolfo B. Poma, Alejandra Hinostroza Caldas, Luis Cofas-Vargas, Michael Jones, Andrew L. Ferguson, Leonardo Medrano Sandonas

Recent Advances in Machine Learning and Coarse-Grained Potentials for Biomolecular Simulations and Their Applications

10.26434/chemrxiv-2025-vxjlk

Posted

Feb 07, 2025

Hendrik Weiske, Ralf Tonner-Zech

Chemical functionalization of a unique 2D material – Computational prediction for cyclooctyne on the biphenylene network

10.26434/chemrxiv-2025-cqhf1

Posted

Feb 07, 2025

Eelis Solala, Wen-Hua Xu, Pauli Parkkinen, Dage Sundholm

Numerical calculations of electric response properties using the bubbles and cube framework

10.26434/chemrxiv-2025-0dkqf

Posted

Feb 07, 2025

Barbara Domżał, Magdalena Grochowska-Tatarczak, Przemysław Malinowski, Błażej Miasojedow, Krzysztof Kazimierczuk, Anna Gambin

NMR reaction monitoring robust to spectral distortions

10.26434/chemrxiv-2025-pjzl3

Posted

Feb 07, 2025

Sanghyun Bae, Thomas Moehl, David Yong, Peng Zeng, David Tilley

A p-type Cu2O Photoanode for Solar Water Oxidation

10.26434/chemrxiv-2025-jspmr

Posted

Feb 07, 2025

Zoltan Takacs, Pavel Hrouzek, Jan Hájek, Kumar Saurav, Jan Pilny, Ulrika Brath, Roman Sobotka

NMR structure of chromeraxanthin - a unique allenic carotenoid of the apicomplexan alga Chromera velia

10.26434/chemrxiv-2025-5b5vd

Posted

Feb 07, 2025

Stephen A. Byrne, Elee Shimshoni, Giulio Fittolani, Charlotte E. Farquhar, Andrei Loas, Daniel G. Anderson, Bradley L. Pentelute

Single-Shot Synthesis of Neuroprotective Hi1a by Automated Fast-Flow Peptide Synthesis

10.26434/chemrxiv-2025-sg9hv

Posted

Feb 07, 2025

Ishita Goyal, Vamsi V. Gande, Rajan R. Bhawnani, Rebecca Hamlyn, Ahmed A. Farghaly, Meenesh R. Singh

Magnesium-Mediated Electrochemical Synthesis of Ammonia

10.26434/chemrxiv-2025-0r764

Posted

Feb 07, 2025

Mohammad Mehdi Pirnia, Dmitry Matyushov

Photosynthetic Reaction Center: A Nonergodic, Dynamically Anisotropic, and Nonlinear Charge-Transport Engine

10.26434/chemrxiv-2025-2nj2g

Posted

Feb 07, 2025

Glenn Ralph, Asha Reghuvaran Santha, Nana Agyemang, Xinghua Ma, Daniel Zuschlag, Benjamin Murray, Mark Biscoe

Cu-Controlled Enantiodivergent Pd-Catalyzed Stille Cross-Coupling Reactions

10.26434/chemrxiv-2025-mj57m

Posted

Feb 07, 2025

Pei-Jan Hung, Qizhang Li, Ting-Hsuan Chen, Ching-Tai Fu, Yu Han, Ronghui Wu, Gangbin Yan, Qingsong Fan, Jiadong Liu, Pin-Ruei Huang, Yuanke Chen, Chenxi Sui, Genesis Higueros, Alex Flores, Fengyuan Shi, Po-Chun Hsu

All-Solution-Processed Mid-Infrared Electrochromics (ASPIRE) for Thermoregulation with Arbitrary Curvatures

10.26434/chemrxiv-2025-g97zs

Posted

Feb 07, 2025

Baptiste Py, Zilong Wang, Yuhao Wang, Francesco Ciucci

Entropy-based Regularized Regression for Advanced Distribution of Relaxation Times Deconvolution

10.26434/chemrxiv-2025-n6d9n-v2

Posted

Feb 07, 2025

Yide Zhang, Ufuk Yilmaz, Artem S. Vorobev, Simone Iadanza, Liam O’Faolain, Bernhard Lendl, Georg Ramer

Probing the Depths: Experimental and Simulated Insights into Nanoscale AFM-IR Imaging of Complex Heterogeneous Structures

10.26434/chemrxiv-2025-slt6r

Posted

Feb 07, 2025

Mohamad Koohi-Moghadam, Ahmad Mohammadi, Hongyan Li, Hongzhe Sun

Predicting Pore Limiting Diameter in Metal-Organic Frameworks Using Only Metal-Linker Building Blocks

10.26434/chemrxiv-2025-wd5jw

Posted

Feb 07, 2025

Is UN Security Council Reform Possible? A Problem-Based Learning Simulation

Zachary Houser

Posted

Feb 07, 2025

10.33774/apsa-2025-cvr78

Deliberation is for Judgment: Preparing Students for the Actually Existing Public Sphere

Zach Richer

Posted

Feb 07, 2025

10.33774/apsa-2025-72qbc

Matthew Harrigan, Naomi Levy

Infusing the Political Science Curriculum with Considerations of Power and Identity

Posted

Feb 07, 2025

10.33774/apsa-2025-mjsd2

Colin Brown, Jennifer Ostojski

To Brief or Not to Brief: Using the Same Simulation for Different Learning Goals

Posted

Feb 07, 2025

10.33774/apsa-2025-kv8kr

Maria Tolika, Athanasios Tsirikas

Public Policy and the Political Participation of Individuals with Neurodevelopmental Disorders: Examining Legislative Frameworks and Civic Engagement Across Different Countries

Posted

Feb 07, 2025

10.33774/apsa-2025-khzc8

Leslie Caughell, Kellie Holzer

Debate as a Tool for Enhancing Critical Thinking and Civic Skills

Version undefined posted 08 February 2025

Posted

Feb 08, 2025

10.33774/apsa-2025-3q0k6

Management

Version undefined posted 08 February 2025

Review of Leaders Eat Last: Why Some Teams Pull Together and Others Don’t

Mehdi Ebrahimi

Posted

Feb 08, 2025

10.33774/coe-2025-5q6mh

Anthropology

Version undefined posted 08 February 2025

Sadri Language: at the Munda Community the Largest tribe of Indian Subcontinent

Md Shaiful Huda

Posted

Feb 08, 2025

10.33774/coe-2025-93w0g

Julia Arnanz, Antonio Monari, Inés Corral, Juan J. Nogueira

Setting the Bases of the Photogenotoxicity of p-Aminobenzoic Acid

10.26434/chemrxiv-2025-zql2w

Posted

Feb 10, 2025

Dingxi Li, Xianhao Chi, Keping Zhai, Mingwei Hui, Meifang Zhu, Di Chen, Yuyong Ma, Le Wang

Direct activation of C(sp3)−H bonds by carbon dots photoredox catalysts

10.26434/chemrxiv-2025-h1wv1

Posted

Feb 10, 2025

Mousumi Behera, Shubham Shukla, Pankaj D. Dharpure, Dr. Ramakrishna G. Bhat

Aryl Thiocyanate as an Organic ‘CN’ Source: Circular Chemical Economy Approach to Access Thiocyano-Thioesters from Cyclic Thioacetals

10.26434/chemrxiv-2025-p2cbf

Posted

Feb 10, 2025

Haoliang Zheng, Robert W Newberry

Unusual Directionality in Thioamide Hydrogen Bonds Can Stabilize β-Strands

10.26434/chemrxiv-2024-nb231-v2

Posted

Feb 10, 2025

Shreya Gupta, Ethan F. Bull-Vulpe, Henry Agnew, Shishir Iyer, Xuanyu Zhu, Ruihan Zhou, Christopher Knight, Francesco Paesani

MBX v1.2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations

10.26434/chemrxiv-2024-6bj22-v3

Posted

Feb 10, 2025

Rixin Xie, Zhecun Shi, Linjun Wang

Coupled-Trajectory Surface Hopping with Sign Consistency

10.26434/chemrxiv-2024-9dzv5-v2

Posted

Feb 10, 2025

Douglas Chang, Joshua Richardson, Myung-Ryul Lee, David Lynn, Sean Palecek, Reid Van Lehn

Machine Learning-Driven Discovery of Highly Selective Antifungal Peptides Containing Non-Canonical β-Amino Acids

10.26434/chemrxiv-2024-gnpvz-v2

Posted

Feb 10, 2025

Xiaohe Wang, Libo Li, Nana Yan, Lei Wang, Reisel Millán, Puxu Liu, Yueying Chu, Wei Gao, Jun Xu, Yida Zhou, Juping Xu, Wen Yin, Bao Yuan, Zhenduo Wu, Avelino Corma, Shutao Xu, Zhongmin Liu, Wenfu Yan, Peng Guo, Jinping Li, Mercedes Boronat, Jihong Yu

Gate-tailoring with protons and metal cations in a flexible zeolite for high-efficiency ethylene/ethane separation

10.26434/chemrxiv-2025-kt9ml

Posted

Feb 10, 2025

Frederik J. Stender, Marcel Risch

Different Reactions Define the Electrochemical Window in Imidazolium Ionic Liquids on Gold and Platinum Electrodes

10.26434/chemrxiv-2025-6628v

Posted

Feb 10, 2025

Ahram Kim, Nicolás M. Morato, Prabir Saha, Pascal Eyimegwu, Aqeel A. Niyaz, Rui Huang, R. Graham Cooks, Ryan M. Phelan, Jared Lewis

Selective Phosphorylation of Phenols and Benzenediols by the Kinase PsiK and Variants Thereof

10.26434/chemrxiv-2025-765rs

Posted

Feb 10, 2025

Eline Goffin, Laurynn Torfs, David Švestka, Kristien Erven, Kris Uyttersprot, Cindy Heens, Simon Wilms, Jef Rozenski, Eveline Lescrinier, Christophe Pannecouque, Peter Verwilst

Discovery and SAR Exploration of Novel Nanomolar 3,4-dihydroquinazolin-2(1H)-one Non-Nucleoside Reverse Transcriptase Inhibitors

10.26434/chemrxiv-2025-8l8jw

Posted

Feb 10, 2025

Anouk de Leeuw den Bouter, Adeline Miquelot, Larissa Brito, Pierre Olivier, John van der Schaaf

Modelling of formic acid production using solventless trialkylamine reduction strategies

10.26434/chemrxiv-2025-l4g7c

Posted

Feb 10, 2025

Bart Brouwer, Franco Della-Felice, Andy-Mark Thunnissen, Gerard Roelfes

Genetically Encoded 3-Aminotyrosine as Catalytic Residue in a Designer Friedel-Crafts Alkylase

10.26434/chemrxiv-2025-4jxdt

Posted

Feb 10, 2025

Nitesh Kumar, Vyacheslav Bryantsev

Structure and Dynamics of CO2 at the Air-Water Interface from Classical and Neural Network Potentials

10.26434/chemrxiv-2025-w5npj

Posted

Feb 10, 2025

Vipin Gavit, Nicole Hanania, Nadim Eghbarieh, Israa Shioukhi, Ahmad Masarwa

Programmable Strategies for the Conversion of Aldehydes to Unsymmetrical (Deuterated) Diarylmethanes and Diarylketones

10.26434/chemrxiv-2025-d9zv4

Posted

Feb 10, 2025

Inbal Lorena Eshel, Barkai Shahar, Sergio Barranco, Mónica Pérez-Temprano, Anat Milo

Probability Guided Chemical Reaction Scopes

10.26434/chemrxiv-2025-z0djf

Posted

Feb 10, 2025

Nia Pollard, A'Laura Hines, Andre Clayborne

Exploring Quantum Computing for Metal Cluster Analysis

10.26434/chemrxiv-2025-r43l4

Posted

Feb 10, 2025

Saikat Pal, Omid Jahanmahin, Shi Zhang, Tai-Sung Lee

Impact of Timestep on Energy Drift and Accuracy of Alchemical Free Energy Calculations

10.26434/chemrxiv-2025-jwkz1

Posted

Feb 10, 2025

Rishi Naga Jasti, Gaurav Sharma

Computational Modeling of Novel Anti-HpaA Protein Antibodies Targeting Helicobacter pylori in Gastric Cancer

10.26434/chemrxiv-2025-9ls1s

Posted

Feb 10, 2025

Geometric Mean Cosmology Predicts the CMB Temperature Now and in Past Epochs

Espen Haug

Posted

Feb 10, 2025

10.33774/coe-2025-1dlls

Collatz Sequence Proof (2nd Way)

Taha Muhammad

10.33774/coe-2024-f4j0z-v6

Posted

Feb 10, 2025

New Quantum-Corrected Black Hole Solutions from Loop Quantum Gravity and Their Canonical Ensemble Analysis

WEN-XIANG CHEN

Earth and Environmental Sciences

Posted

Feb 10, 2025

10.33774/coe-2025-mhv97

Deep Transitions

Jack Davies, Johan Schot

Posted

Feb 10, 2025

10.33774/coe-2025-sxjrk

Jordan RIO, Quentin PESSEMESSE, Michele CASCELLA, Pierre-Adrien PAYARD, Marie-Eve L. PERRIN

Organozinc reagents in solution: insights from ab initio molecular dynamics and X-ray absorption spectroscopy

10.26434/chemrxiv-2024-0xd0x-v4

Posted

Feb 10, 2025

Enrico Falcone, Rosemary Tomey, Emma Turley, David Cannella, David Robinson, Luisa Ciano

De novo designed β-hairpin peptides mimicking the LPMO copper-binding histidine brace motif

10.26434/chemrxiv-2025-6mxw9-v2

Posted

Feb 10, 2025

Yusuke Yoneda, Tomoaki Konishi, Kensuke Suga, Shohei Saito, Hikaru Kuramochi

Excited-State Aromatization Drives Non-Equilibrium Planarization Dynamics

10.26434/chemrxiv-2024-2pc7l-v2

Posted

Feb 10, 2025

Huijie Zhang, Mohamed Saadeldin, Darren Buesen, Hamzah Elfaitory, Jakob Burger, Vincent Friebe, Jonas Honacker, Tobias Voepel, Alaa Oughli, Nicolas Plumeré

A Universal Oxygen Scavenger for Oxidase-based Biosensors

10.26434/chemrxiv-2024-trlwf-v2

Posted

Feb 10, 2025

Thomas Pickl, Patrick Mollik, Markus R. Anneser, Florian Sixt, Korbinian Geißer, Oksana Storcheva, Dominik Halter, Alexander Pöthig

Endohedral Coordination of Bulky Substrates in Metalloenzyme-like Organometallic Nanotubes

10.26434/chemrxiv-2025-rsgrl-v2

Posted

Feb 10, 2025

Management

SWOT Analysis for 2025 Success

Mehdi Ebrahimi

Posted

Feb 10, 2025

10.33774/coe-2025-h44tr

Tingting Zhai, Hao Wang, Sarah Beaudoin, Ran Zhang, Minkyoung Kwak, Shujin Hou, Zhengxiao Guo, Shannon Boettcher

Perovskite Catalysts for Pure-Water-Fed Anion-Exchange-Membrane Electrolyzer Anodes: Co-Design of Electrically Conductive Nanoparticle Cores and Active Surfaces

10.26434/chemrxiv-2025-b7prh

Posted

Feb 10, 2025

Xiaohui Chen, Zhibo Xie, Jiaojiao Wang, Wenwen Zhao, Xiufen Yan, Zeyu Liu, Cai Ning, Tian Lu

Obtaining (BN)4C10 with excellent optoelectronic properties by screening boron-nitrogen analogues of cyclo[18]carbon, (BN)nC(18-2n) (n = 1–9)

10.26434/chemrxiv-2025-drwgp

Posted

Feb 10, 2025

Dinesh Singh, Pankaj Poddar

Tuning the electric dipole transitions (5D0 → 7F2, and 5D0 → 7F4) in thin Eu-doped BiOCl nanosheets

10.26434/chemrxiv-2025-8q8jd

Posted

Feb 10, 2025

Neethu Kochukunnel Varghese, Elina Mkrtchian, Anshika Singh, Letizia Savio, Massimiliano Boccia, Vincenza Marzocchi, Antonio Comite

NiFe on CeO2, TiO2 and ZrO2 Supports as Efficient Oxygen Evolution Reaction Catalysts in Alkaline Media

10.26434/chemrxiv-2024-hsldj-v2

Posted

Feb 11, 2025

Diptesh Gayen, Yannik Schütze, Sebastien Groh, Joachim Dzubiella

Optimizing Cation-π Force Fields for Molecular Dynamics Studies of Competitive Solvation in Conjugated Organosulfur Polymers for Lithium-Sulfur Batteries

10.26434/chemrxiv-2025-n7s1r-v2

Posted

Feb 11, 2025

Peter Mastracco, Luke Nambi Mohanam, Giacomo Nagaro, Sangram Prusty, Younghoon Oh, Ruqian Wu, Qiang Cui, Allon Hochbaum, Stacy Copp, Sahar Sharifzadeh

Dynamic electronic structure fluctuations in the de novo peptide ACC-dimer revealed by first-principles theory and machine learning

10.26434/chemrxiv-2024-66dnq-v2

Posted

Feb 11, 2025

Francesco Serse, Matteo Salvalaglio, Matteo Pelucchi

First Principles Assessment of Solvent Induced Cage Effects on Intramolecular Hydrogen Transfer in the Free Radical Polymerization of Acrylates

10.26434/chemrxiv-2024-53jpl-v2

Posted

Feb 11, 2025

Daniel Falvey, Edward Chinn, Yue Li, Abigail Joyce

Selective Photo Labeling of Tryptophan with N-acetyl-L-Tryptophan Ethyl Ester and Peptide WWCNDGR

10.26434/chemrxiv-2025-96k9j

Posted

Feb 11, 2025

Microphase Separation Technique Mediated SiCN Ceramics: A Method for Mesostructuring of Polymer Derived SiCN Ceramics

Saravana K T Pillai

10.26434/chemrxiv-2025-jg6c9

Posted

Feb 11, 2025

Bence Ladóczki, László Gyevi-Nagy, Péter R. Nagy, Mihály Kállay

Enabling accurate and large-scale explicitly correlated CCSD(T) computations via a reduced-cost and parallel implementation

10.26434/chemrxiv-2025-t3z9k

Posted

Feb 11, 2025

Erik Weiand, Francisco Rodriguez-Ropero, Stefano Angioletti-Uberti, Daniele Dini, James P. Ewen

Modifying polyelectrolyte charge density and surface coverage for enhanced polyelectrolyte-surfactant lubrication of biomimetic interfaces

10.26434/chemrxiv-2025-rdgd5

Posted

Feb 11, 2025

Andreas Koellisch‐Mirbach, Inhee Park, Helmut Baltruschat

1 The Electrochemistry of Sodiumdodecylsulfonate on Au(111) in sulfuric acid – Voltammetry, Adsorbate structure and Friction

10.26434/chemrxiv-2025-c4gmj

Posted

Feb 11, 2025

Lucas Franco, Daniel Rodrigues, Gabriela Baumart, Flavia Gomes, Lídia Lima, Carlos Alberto Fraga, Pedro Pinheiro

Drug Repurposing by Virtual Screening: identification of new already approved ROCK inhibitors as promising drugs to target neurodegeneration

10.26434/chemrxiv-2025-340h4

Posted

Feb 11, 2025

Casey Roos, S. Luke Schulert, Lara Zetzsche, Spencer McMinn, Angela Cheong, Eunjae Shim, Eugene Kwan, Alison Narayan

Access to enantioenriched atropisomers through biocatalytic deracemization

10.26434/chemrxiv-2025-6s0hk

Posted

Feb 11, 2025

Asaf Bolker, Irina Gouzman, Moshe Tordjman, Nurit Atar, Brian E. Riggs, Yakov Carmiel, Ronen Verker, Eitan Grossman, Rafi Kalish, Timothy K. Minton

Real-time Atomic Oxygen Detection Using Transition Metal Oxide Coated Hydrogen-Terminated Diamond Surface

10.26434/chemrxiv-2025-qh9rh

Posted

Feb 11, 2025

Yingdong Duan, Jianyuan Chen, Liang Cheng, Sanzhong Luo

Asymmetric Electrochemical Alkenylation by Synergistic Chiral Primary Amine and Naphthalene Catalysis

10.26434/chemrxiv-2025-z4hsr

Posted

Feb 11, 2025

Abhimanyu Shekhar, William Farlessyost, Shweta Singh

Dynamics and Resilience for Design of Sustainable Processes, Industrial Networks and Supply Chains: Review and Perspective

10.26434/chemrxiv-2025-bzv25

Posted

Feb 11, 2025

Galon Green, Kamal Uddin Ansari, Thejasree Munikrishna, Sagi Ezov, Donia Shamali, Orit Cohen, Daphna Shimon, Yuri Tulchinsky

Genie in a Bottle – Formation and Reactivity of an Elusive Monomeric Mn(IV)-Oxo Species Inside a Cavitand Pore

10.26434/chemrxiv-2025-133gp

Posted

Feb 11, 2025

Mikkel Schultz-Johansen, Jaagni Parnami, Inga Hellige, Jan-Hendrik Hehemann

Silica-based purification and desalting of fucoidan

10.26434/chemrxiv-2025-fc6bq

Posted

Feb 11, 2025

Dinesh Singh, Pankaj Poddar

Fabricating the self-supported superstructure of bismuth nanoparticles by tuning the temperature

10.26434/chemrxiv-2025-d0snr

Posted

Feb 11, 2025

Vijay Masand, Gaurav Masand, Sami A. Al-Hussain, Rahul Jawarkar, Vesna Rastija, Magdi E.A. Zaki

PyDescriptorC*: A Descriptor Calculation Tool for Decoding Chirality Cliffs and Revealing Hidden Patterns in Drug Discovery

10.26434/chemrxiv-2025-w3k4n

Posted

Feb 11, 2025

Sabrina Fonzo, Antigoni Bougatsia, Alfredo de la Peña Gonzales, Iulian Boboescu, Carl Safi, Lambertus Antonius Maria van den Broek, Herman de Beukelaer, Aldrik H Velders, vittorio saggiomo

Microalgae as source for SLA 3D printing resin

10.26434/chemrxiv-2025-vwxfq

Posted

Feb 11, 2025

Jun Wang, Lijuan Chen, Lan Huang, Tengfei Chen, Juqin Zeng, Wenbo Ju

Direct Carbonate Reduction on Sn Oxide Surface

10.26434/chemrxiv-2025-jcdht

Posted

Feb 11, 2025

MAURIZIO FAGNONI, Matteo Leone, Dalila Arnaldi

Beyond HAT: Harnessing TBADT for photocatalyzed C(sp3)-C(sp3) Bond Formation through Reductive SET

10.26434/chemrxiv-2025-n0dx2

Posted

Feb 11, 2025

Antoine Versini, Quentin Arias, Jonathan Boyer, Sandra Olivero, Etienne Brachet, Philippe Belmont, Véronique Michelet

Au(III)-Catalyzed Domino Cyclization / Functionalization Reactions: an Efficient Entry to Heterocycles

10.26434/chemrxiv-2025-z5cjr

Posted

Feb 11, 2025

Thomas P Forbes, Olivia Agolini, Zainab Altamimi, Jeffrey Lawrence

Personalized Medicine: A Quality by Design Approach to Printable Tablet Production

10.26434/chemrxiv-2025-l6gk4

Posted

Feb 11, 2025

Miguel Mellado-Hidalgo, Joan Conejos-Jalencas, Saúl F. Teloxa, Andrea Suárez-Herrera, Luke McCall, Anna Maria Costa, Pedro Romea Garcia, Fèlix Urpí, Gabriel Aullón, Cristina Puigjaner

Direct, asymmetric, and stereodivergent reactions of N-azidoacetyl thioimides with aromatic acetals catalyzed by chiral nickel(II) complexes. A new approach to the synthesis of syn- and anti-β-alkoxy-α-amino acids

10.26434/chemrxiv-2025-55sz5

Posted

Feb 11, 2025

Alexandre Simon, Virgile Rouffeteau, Camilla Acconcia, Sylvestre P. J. T. Bachollet, Jérémy Forté, Mariateresa Giustiniano, Laurence Grimaud, Maxime R. Vitale

Pseudo-4-Component Photoredox-catalyzed Alkylative Amidination / Carbamoylation of Styrenes with Isocyanides and Redox-Active Esters

10.26434/chemrxiv-2025-bvcvr

Posted

Feb 11, 2025

Przemysław Galek, Ahmed Bahrawy, Christin Gellrich, Nick Niese, Mohamed Abdullah, Martin Hantusch, Julia Grothe, Stefan Kaskel

Nanostructured h-WO₃-Based Ionologic Gates with Enhanced Rectification and Transistor Functionality

10.26434/chemrxiv-2025-3c9s0

Posted

Feb 11, 2025

HUI WANG, Yanan Sun, Thorsten Schultz, Katherine A. Mazzio, Vinita Ahuja, Yongchun Li, Volodymyr Baran, Norbert Koch, Philipp Adelhelm

SnS anodes with high volumetric capacity for Na-ion batteries and their characterization in ether and ester electrolytes

10.26434/chemrxiv-2025-8l8sm

Posted

Feb 11, 2025

Martina Rimmele, Stefania Moro, Troy L. R. Bennett, James M. Turner, Filip Aniés, Qiao He, Andrew J. P. White, Simon E. F. Spencer, Martin Heeney, Felix Plasser, Giovanni Costantini, Florian Glöcklhofer

Soluble Conjugated Polymers without Side Chains: Macrocycles as Comonomers

10.26434/chemrxiv-2025-jbkg8

Posted

Feb 11, 2025

Philipp Groppe, Valentin Müller, Johannes Will, Xin Zhou, Kailun Zhang, Jörg Libuda, Tanja Retzer, Erdmann Spiecker, Julien Bachmann, Karl Mandel, Susanne Wintzheimer

Atomic layer deposition on spray-dried supraparticles to rationally design catalysts with ultralow noble metal loadings

10.26434/chemrxiv-2025-r2ph8

Posted

Feb 12, 2025

Ieva Goldberga, Trevys Chanal, Tristan Georges, Guillaume Laurent, Thierry Azaïs

Milliseconds time-scale controlled freeze-quench for solute intermediates analysis by solid-state NMR

10.26434/chemrxiv-2025-mjmc4

Posted

Feb 12, 2025

Kyrylo Tymoshenko, Svitlana Shishkina, Vitalii Palchykov

Ferrocene-containing tetrahydropyridazines via domino chemistry

10.26434/chemrxiv-2025-ddpk3

Posted

Feb 12, 2025

Bálint Tamás, Marvin Alberts, Teodoro Laino, Nina Hartrampf

Amino Acid Composition drives Peptide Aggregation: Predicting Aggregation for Improved Synthesis

10.26434/chemrxiv-2025-wjbmv

Posted

Feb 12, 2025

Leif-Thore Deck, Mercedeh Sadat Hosseinalipour, Marco Mazzotti

Spontaneous emergence of homochiral suspensions from racemic solutions via stochastic nucleation

10.26434/chemrxiv-2025-dqczr

Posted

Feb 12, 2025

ALESSANDRO BERSELLI, Maria Cristina Menziani, GiovanniMaria Piccini, Francesco Muniz-Miranda

Molecular-Level Mechanistic Insights into PETase-Catalyzed Plastics Hydrolysis from Accurate QM/MM Free Energy Calculations

10.26434/chemrxiv-2025-pkf5k

Posted

Feb 12, 2025

Lucina-May Nollen, David Meijer, Maria Sorokina, Justin van der Hooft

Biosynfoni: A Biosynthesis-informed and Interpretable Lightweight Molecular Fingerprint

10.26434/chemrxiv-2025-cwq74

Posted

Feb 12, 2025

Xin JIN, Kevin Jablonka, Elias Moubarak, Yutao Li, Berend Smit

MOFChecker: An algorithm for Validating and Correcting Metal-Organic Framework (MOF) Structures

10.26434/chemrxiv-2025-bh607

Posted

Feb 12, 2025

Justin Krampe, Vera Krewald

Decomposition of magnetic coupling in µ-oxo-bridged metal complexes

10.26434/chemrxiv-2025-gbcfl

Posted

Feb 12, 2025

Raphael Kircher, Jingyan Xu, Erik Van Dyke, Rozana Mazlumian, Dmitry Budker, Danila Barskiy

Benchtop Proton NMR Study of Hyperpolarized Charged and Neutral Ir-IMes Hydride Intermediates in Acetonitrile

10.26434/chemrxiv-2025-gvr5b

Posted

Feb 12, 2025

Li-Zhi Lin, Ling-Qi Huang, Shi-Wei You, Yi-Jan Huang, Francesco Zinna, Andrew Salij, Lorenzo Di Bari, Randall H. Goldsmith, Roel Tempelaar, Chia-Yen Huang, TzuLing Chen

Circularly Polarized Stimulated Emission from a Chiral Cavity Based on Apparent Circular Dichroism Organic Thin-Films

10.26434/chemrxiv-2025-2xsvw

Posted

Feb 12, 2025

Eric Abenojar, Ekta Minocha, Emmanuel Garcia Villatoro, Viraj Kirinda, Ashwani Gupta, Boyeong Kang, IkSung Cho, Vivian Zhang, Jae-Won Shin, Jason Wertheim, Julia Kalow

Reversibly photocontrolled polyacrylamide hydrogels for mechanobiology

10.26434/chemrxiv-2025-0dlbs

Posted

Feb 13, 2025

Subir Panja, Biprajit Paul, Chandan Nandi, Biju Majhi, Brindaban C Ranu

Ruthenium-Catalyzed One Pot Three Component Substrate Controlled Site Selective Annulation Reaction via Cascade Dehydrogenative Pathway for 4H-Benzo[d][1,3]oxazin-4-one Derivatives

10.26434/chemrxiv-2025-cgmkr

Posted

Feb 13, 2025

Brenden Pelkie, Sterling Baird, Eunice Aissi, Kenzo Aspuru-Takata, Yang Cao, Jin Hyun Chang, Kshitij Gambhir, Wm Salt Hale, Lucy Hao, Chance Hattrick, Jason Hein, Danli Luo, Owen Melville, Monique Ngan, Louie Lucas Bisgaard Nyeland, Nadya Peek, Maria Politi, Ethan Elliot Rajkumar, Alexander Siemenn, Blair Subbaraman, Sonya Vasquez, Jeffrey Watchorn, Wenyu Zhang, Rógvi Ziskason, Lilo Pozzo, Tonio Buonassisi, Tejs Vegge

Democratizing self-driving labs through user-developed automation infrastructure

10.26434/chemrxiv-2025-zhkrf

Posted

Feb 13, 2025

Ying Li, Li-Ming Zhang, Xue-Ting Li, Heng Liu, Ting-Ting Song, Ding-Wei Ji, Qing-An Chen

Stereoselective 1,3-Cyclotelomerization of Butadiene with Dienophiles under Nickel Catalysis

10.26434/chemrxiv-2025-v2650

Posted

Feb 13, 2025

The effect of polybutadiene chain architectures on the dynamic and mechanical properties of vulcanizates

Jakub Gabryś

10.26434/chemrxiv-2025-8pwqq

Posted

Feb 13, 2025

Meghna A. Manae, Jeremy O. Richardson

Temperature-Dependent Mechanistic Control of Nonadiabatic Tunnelling in Triplet Carbenes

10.26434/chemrxiv-2025-9k50r

Posted

Feb 13, 2025

Célest Mordechai Attiach, Mélanie Sebastien, Edouard Brosset-Heckel, Salvatore Cinquerrui, Antoine Maruani

Novel synthetic phospholipids for the preparation of thiol-responsive liposomes

10.26434/chemrxiv-2025-0mftt

Posted

Feb 13, 2025

Nicolas Nyssen, Gaël De Leener, Michel Luhmer, Benoit Colasson, Ivan Jabin, Aleksandar Višnjevac, Olivia Reinaud

Ligand exchange in TREN-based Cobalt (II) funnel complexes in the solid state

10.26434/chemrxiv-2025-mg4q6

Posted

Feb 13, 2025

Zhihao Yang, Xuan Liu, Yi-Xuan Chen, Yuting Gao, Hirofumi Maekawa, Tianyuan Zhang, Xin-Qi Hao, Mao-Ping Song

Mild and Scalable C4-Alkylation of Pyridine Derivatives: Enhanced Regioselectivity via Silane-Assisted Electroreduction

10.26434/chemrxiv-2025-pzlfx

Posted

Feb 13, 2025

Magdalena Wiloch, Dariusz Piekarski, Natalia Baran, Adam Kubas, Martin Jönsson-Niedziółka

Spectroelectrochemical properties of 8-aminoquinoline: voltammetric and computational studies

10.26434/chemrxiv-2025-2gxhd

Posted

Feb 13, 2025

Vladimir Rosenov Koynarev, Manuela Leal Nader, Kari Kristine Almåsvold Borgos, Henrique Muselli Cezar, Lionel Porcar, Theyencheri Narayanan, Michele Cascella, Reidar Lund

Beyond Structural Pores: Transient Permeabilization of Lipid Membranes by Antimicrobial Peptides

10.26434/chemrxiv-2025-bmtmq

Posted

Feb 13, 2025

Hassan Harb, Yunkai Sun, Rajeev Surendran Assary

The Hitchhiker's Guide to Socratic Methods in Prompting Large Language Models for Chemistry Applications

10.26434/chemrxiv-2025-djf43-v2

Posted

Feb 13, 2025

Deriving the Isoelectric Point of Amino Acids from Acid-Base Equilibria

Gayan Senavirathne

10.26434/chemrxiv-2025-9tpw3-v2

Posted

Feb 13, 2025

Daniel Stopper, Irina Honin, Felix Feller, Finn Kristian Hansen

Development of Ethyl Hydrazide-Based Selective Histone Deacetylase 6 (HDAC6) PROTACs

10.26434/chemrxiv-2025-8dblf-v2

Posted

Feb 13, 2025

Xiaotong Liu, Yuhang Wang, Tao Yang, Xingchen Liu, Xiaodong Wen

AlchemBERT: Exploring Lightweight Language Models for Materials Informatics

10.26434/chemrxiv-2024-r4dnl-v2

Posted

Feb 13, 2025

Francesca Pallini, Giulia Garavaglia, Gabriele Paoli, Giuseppe Mattioli, Francesco Porcelli, Lorenzo Mezzomo, Domenico Antonio Florenzano, Riccardo Ruffo, Mauro Sassi, SARA MATTIELLO

Rationalized synthetic access to benzimidazoline based n-type dopant precursors

10.26434/chemrxiv-2025-m3mpv-v2

Posted

Feb 13, 2025

Stanislav Melnikov, Donghun Hwang, Bohyun Park, Martin Lutz, Mu-Hyun Baik, Daniel L. J. Broere

Ruthenium-Mediated Nucleophilic Aromatic Substitution of Hydrogen in Benzene

10.26434/chemrxiv-2024-mttp6-v2

Posted

Feb 13, 2025

Mansu Kim, Jonghwan Park, Hyuk Choi, Sohui Kim, Injoon Jang, Hyun You Kim, Namgee Jung, Sung Jong Yoo, Joseph Hupp, Dongmok Whang

Enhancing Metal–Support Interactions of Ru Catalysts via Relaxation of Oxygen Vacancies for Hydrogen Production

10.26434/chemrxiv-2025-g62qh

Posted

Feb 13, 2025

Matthew Diamandas, Kane A. C. Bastick, Daniel Ou, Betty Huang, Andrei Yudin

A Nitrilium ion-trapping path to substituted thiadiazoles and oxadiazoles

10.26434/chemrxiv-2025-nqfl9

Posted

Feb 13, 2025

Guo Yujia, Mikhail Kabeshov, Tat Hong Duong Le, Samuel Genheden, Giulia Bergonzini, Ola Engkvist, Samuel Kaski

An Expert-Augmented Deep Learning Approach for Synthesis Route Evaluation

10.26434/chemrxiv-2024-tp7rh-v2

Posted

Feb 13, 2025

Jacek K. Wychowaniec, Ezgi Irem Bektas, Marcia Muerner, Jiranuwat Sapudom, Martin Šrejber, Marielle Airoldi, Roland Schmidt, Andrea J. Vernengo, Charlotte J.C. Edwards-Gayle, Paul Sean Tipay, Michal Otyepka, Jeremy Teo, David Eglin, Matteo D'Este

Self-assembly of Tyrosine-containing Peptides into Injectable Hydrogels with Distinct Nanostructures is Key in Determining Inflammatory Response of Macrophages

10.26434/chemrxiv-2024-bn5sm-v3

Posted

Feb 13, 2025

Christian Heinekamp, Cafer-Tufan Cakir, Ana Guilherme Buzanich, Konstantin Klementiev, Michael Römelt, Thomas Braun, Franziska Emmerling

A Kβ valence to core X-ray emission approach for fluorine and oxygen differentiation in Zr compounds

10.26434/chemrxiv-2025-3mzhb

Posted

Feb 13, 2025

Yifei Xu, Yunze Qiu, Hai Xiao, Bingjun Xu

Deconvolute the Impact of Microenvironment on Proton-Coupled Electron Transfers at Electrochemical Interfaces

10.26434/chemrxiv-2025-n2sxg

Posted

Feb 13, 2025

Bastien Luzel, Lucas Raggio, Eytan Benharrous, Julien Monot, Didier Bourissou, Didier Siri, Didier Gigmes, Catherine Lefay, Blanca Martin-Vaca, Yohann Guillaneuf

A Closer Look at the Substituent Effects on the Copolymerization of Thionolactones by Radical Ring-Opening Polymerization

10.26434/chemrxiv-2025-cfz52

Posted

Feb 13, 2025

Soorya Saravanan, Utkarsh Vijay, Sophie Tran, Maris Minna Mathew, Desislava Yordanova Apostolova, Inaki Gandarias, Aubin Leclere, Romain Lelong, Alejandro A. Franco

Metaverse For Battery Manufacturing: Connecting Students From Different Geographical Locations To Solve Battery Manufacturing Problems In The Virtual Reality Space

10.26434/chemrxiv-2025-3484j

Posted

Feb 13, 2025

Yakui Deng, Gaoyu Liu, Annie Brûlet, Patrick Keller, Min-Hui Li

Polymer conformation changes observed with the naked eye in a liquid crystal elastomer and their use to produce adjustable and multidirectional deformations

10.26434/chemrxiv-2025-w9lt0

Posted

Feb 13, 2025

Ashutosh Sahoo, Ashvini Patel, Roger Lalancette, Frieder Jaekle

B ← N Lewis Pair Fusion of N,N-Diaryldihydrophenazines: Effect on Structural, Electronic, and Emissive Properties

10.26434/chemrxiv-2025-cw0kl

Posted

Feb 13, 2025

Zachary Smith, Davide Branduardi, Dmitry Lupyan, Giulia D'Arrigo, Pratyush Tiwary, Lingle Wang, Goran Krilov

Towards automated physics-based absolute drug residence time predictions

10.26434/chemrxiv-2025-wg75c

Posted

Feb 13, 2025

Lili Fang, Renpeng Zhou, Jin Zhu

Room Temperature Ruthenium-Catalyzed Coupling of Cyclopropanols and α-Diazo-β-Ketoesters to α-Ester-δ-Diketones

10.26434/chemrxiv-2025-wz11n

Posted

Feb 13, 2025

Yota Sakakibara, Takumi Kinoshita, Kazuki Hirate, Kosuke Hamawaki, Shoma Chiba, Kosuke Terada, Kei Murakami

Taming Distonic Radical Cations for Precise gamma-C–H Functionalization of Alkylamines

10.26434/chemrxiv-2025-srlvk

Posted

Feb 13, 2025

Bartosz Tyrcha, Tarun Gupta, Konrad Patkowski, Piotr Szymon Żuchowski

Analytical derivatives of symmetry-adapted perturbation theory corrections for interaction-induced properties

10.26434/chemrxiv-2025-91mps

Posted

Feb 13, 2025

Krishna Kaushik, Sakshi Mehta, Sujit Kamilya, Subrata Ghosh, Niéli Daffé, Pradip Kumar Mondal, Santosh Panjikar, Jan Dreiser, Dohyun Moon, Radovan Herchel, Yanling Li, Mathieu Rouzières, Abhishake Mondal

Achieving Multiway Switching in 2D Hexagonal Networks: A Molecular Engineering Strategy to Design Ambient Temperature Bistable Materials

10.26434/chemrxiv-2025-4n622

Posted

Feb 13, 2025

Lucas Franco, Marina Alves, Carlos Mauricio Sant'Anna, Isadora Bastos, Regina Barroso, Fanny Costa, Fabio Furlan, Carlos Fraga, Eliezer Barreiro, Lídia Lima, Daniel Rodrigues, Pedro Pinheiro

Exploring the Conformational Effects of N- and C-Methylation of N-acylhydrazones

10.26434/chemrxiv-2025-bq95l

Posted

Feb 13, 2025

Adrien Combourieu, Stella Christodoulou, Laurent Maron, Eachann Assendjee, Nicolas Casaretto, Akos Banyasz, Olivier Maury, Matthew Gregson, Ashley Wooles, Stephen Liddle, Cedric Tard, Gregory Nocton, Grégory Danoun

Photochemical Single Electron Transfer Activation of Alkyl- and Aryl-halides by a Cerium(III) Triamidoamine Complex

10.26434/chemrxiv-2025-stwm1

Posted

Feb 13, 2025

Text2Struc: Programmatic Crystal Structure Generation with Fine-Tuned Large Language Models

Viktoriia Baibakova

10.26434/chemrxiv-2025-pvgp0-v2

Posted

Feb 13, 2025

Wonmuk Hwang, James Gonzales, Bernard Brooks

Gauss-Legendre-Spherical-t (GLST) Cubature-Based Factorization of Long-Range Electrostatics in Simulations

10.26434/chemrxiv-2025-q8q77

Posted

Feb 13, 2025

Yuuki Hagiwara, Tatsu Kuwatani

Precision in peak parameter estimation for Gaussian and Lorentzian profiles: Guidelines for instrument optimization

10.26434/chemrxiv-2025-0zqll

Posted

Feb 14, 2025

Miriam Peña Figueroa, Laura Saa, Aitziber L. Cortajarena, Jose A. Pomposo, Alberto Alvarez-Fernandez, Ester Verde Sesto, Armando Maestro

Surface-Adaptive Anti-Biofouling Coatings Based on Amphiphilic P(OEGMA-co-AEMA) Copolymers: Synthesis, Characterization, and Performance Evaluation

10.26434/chemrxiv-2025-1z3h4

Posted

Feb 14, 2025

Henrik Terholsen, Lisa Medema, Elizaveta Chernyshova, Alejandro Prats Luján, Gerrit J. Poelarends, Sandy Schmidt

Nitroreductase-triggered indazole formation

10.26434/chemrxiv-2025-2hs17

Posted

Feb 14, 2025

John Pinti, Owen Szeglowski, Rachel Snider, Matthew Crawley, Timothy Cook

Synthesis of tetra-porphyrin tubes for catalysis and host-guest chemistry

10.26434/chemrxiv-2025-gxtfp-v2

Posted

Feb 14, 2025

Silas Wurnig, Maria Hanl, Thomas Geiger, Shiyang Zhai, Ina Dressel, Dominika Pieńkowska, Radosław Nowak, Finn Kristian Hansen

Light-Activatable Photochemically Targeting Chimeras (PHOTACs) Enable the Optical Control of Targeted Protein Degradation of HDAC6

10.26434/chemrxiv-2024-cs18b-v2

Posted

Feb 14, 2025

Jamie Allen, Tobias Krämer, Lydia G. Barnes, Rebecca R. Hawker, Kuldip Singh, Alexander F. R. Kilpatrick

Organozinc β-thioketiminate complexes and their application in ketone hydroboration catalysis

10.26434/chemrxiv-2024-1x9k1-v2

Posted

Feb 14, 2025

Sadashiva Rampur, Mahesh Kumar V. K., Pavan R. Pelli, Senjuti Sarkar, Samayeta Pramanik, Upama Majumder, Shravanthi S., Bhavana Meenakshi, Srinidhi G. Santhanakrishnan, Rushi Pendem, Tanushree Ghosh, Deepesh Nagarajan

The distribution of groundwater uranium in Chintamani village, Karnataka, India

10.26434/chemrxiv-2025-b3z4h-v2

Posted

Feb 14, 2025

Saquib Farooq, Javid Ahmad Malla, Miroslava Nedyalkova, Rafael Freire, Indradip Mandal, Aurelien Crochet, Stefan Salentinig, Marco Lattuada, Charlie McTernan, Andreas Kilbinger

Rapid Water Permeation by Aramid Foldamer Nanochannels with Hydrophobic Interiors

10.26434/chemrxiv-2025-lz9xt

Posted

Feb 14, 2025

Shan Hu, Jinnawat Jongkhumkrong, Oznur OLMEZ, Diqi Yan, James D. Sitter, Hao Liu, Akshani Anjula Wijesooriya, Michael Walla, William Cotham, Aaron K. Vannucci, Qian Wang

Cyclopropanol - A Caged Dual-Functional Warhead for Selective Electrochemical Bioconjugation

10.26434/chemrxiv-2025-ghsvg

Posted

Feb 14, 2025

Convolutional Neural Network Based Characterization of Atomic Diffusion from Spectroscopic Imaging

Protyush Sahu

10.26434/chemrxiv-2025-p15v7

Posted

Feb 14, 2025

Joshua B. Starrett, Simon M. Iveson, Kevin P. Galvin

Empirical Evidence for Fermi-Dirac Classification of Minerals by Particle Size

10.26434/chemrxiv-2025-v3c87

Posted

Feb 14, 2025

James Gonzales, Wonmuk Hwang, Bernard Brooks

A Parallel CUDA Implementation of the Gauss-Legendre-Spherical-t Method for Electrostatic Interactions

10.26434/chemrxiv-2025-904ch

Posted

Feb 14, 2025

Kenichi Kato, Seina Okada, Motohiro Mizuno, Nobuyoshi Seto, Ryo Iwano, Shunsuke Ohtani, Tomoki Ogoshi

Linker-Dependent Gas Adsorption of Network Polymers Using Aminated Trinaphtho[3.3.3]propellane

10.26434/chemrxiv-2025-pkb6x

Posted

Feb 14, 2025

Yong Rui Poh, Xiao Chen, Hai-Ping Cheng, Joel Yuen-Zhou

Electron Sextets as Optically Addressable Molecular Qubits: Triplet Carbenes

10.26434/chemrxiv-2025-px2sj

Posted

Feb 14, 2025

Raktim Baruah, Krishan Kumar, Jan Dellith, Maria Wächtler

Tuning high-order multiexciton properties of CdSe quantum dots via size and surface modification

10.26434/chemrxiv-2025-zd0zm

Posted

Feb 14, 2025

Rikuto Kashiyama, Hiroyuki Watanabe, Takahiro Akasaka, Hiroyuki Fujimoto, Masashi Murakami, Kazuhiro Ooe, Atsushi Toyoshima, Kazuma Nakashima, Masahiro Ono

Feasibility of Targeted Alpha Therapy for Alzheimer's Disease Using 211At-labeled Agent Targeting Amyloid-β Aggregates

10.26434/chemrxiv-2025-6qdbr

Posted

Feb 14, 2025

Yanbo Mei, Xue-Yi He, Jiancheng Li, Mo Liu, Qiuming Liang, Chengbo Yang, Liu Leo Liu

Carbene-Supported Triphosphorus Anion

10.26434/chemrxiv-2025-n4pfz

Posted

Feb 14, 2025

Natural Language Processing for Automated Workflow and Knowledge Graph Generation in Self-Driving Labs

Bastian Ruehle

10.26434/chemrxiv-2025-0p7xx

Posted

Feb 14, 2025

Oyiyechukwu Elizabeth Chikelu, Juliet Nnenna Udeh, Chiamaka Vivian Ugwu

Impact of Fermentation Duration on the Nutritional, Anti-Nutritional, and Functional Characteristics of Colocasia Esculenta.

10.26434/chemrxiv-2025-hzxjv

Posted

Feb 14, 2025

Samuel Horsewill, Tajrian Chowdhury, Anna Bailey, William Peveler, Gordon Hedley, Claire Wilson, Joy Farnaby

Synthesis of radical-bridged lanthanide heterobimetallic complexes

10.26434/chemrxiv-2025-1bkrg

Posted

Feb 14, 2025

Lucas G. Balzat, Yan Li, Sascha Dums, Igor Moudrakovski, Kristina Gjorgjevikj, Armin Schulz, Yuheng Li, Simon Krause, Pieremanuele Canepa, Bettina V. Lotsch

Structure and transport properties in the pseudo-binary phase system Li4SiS4 – Li4SnS4

10.26434/chemrxiv-2025-bssbr

Posted

Feb 14, 2025

Bikash Ranjan Isaac, Sankeerth Satish, S. Sreedeep, Sangram Mohapatra, Subbiah Alwarappan, Vijayamohanan K. Pillai

Tailoring Phosphorene Quantum Dot via Electrochemical Methods for Enhanced Capacity Na-ion Batteries

10.26434/chemrxiv-2025-kj2nm

Posted

Feb 14, 2025

Si-Kai Chen, Miguel LopezTena, Francesco Russo, Emma E. watson, Millicent Dockerill, Javier Cabellogarcia, Sofia Barluenga, Nicolas Winssinger

DNA-Drug Conjugates (DDCs) for computed delivery

10.26434/chemrxiv-2025-m8262

Posted

Feb 14, 2025

Ultrasound-Driven Radical Expansion: Unlocking Novel Chemical Pathways

Rand Ranj Adil

10.26434/chemrxiv-2025-0nx8j

Posted

Feb 14, 2025

Hong Chen, Roland Schoch, Jean-Noel Chotard, Yannick Thiebes, Kerstin Wissel, Rainer Niewa, Matthias Bauer, Oliver Clemens

Revealing a novel intercalation nature of high-capacity conversion cathode materials for Fluoride-Ion Batteries by Operando Studies

10.26434/chemrxiv-2025-n2wh8

Posted

Feb 15, 2025

T. Harri Jones, Christopher Bradshaw, John Ward, Barry Blight

Automation Accelerated screening of H-Bond-Rich Iridium Photosensitisers for Hydrogen Generation

10.26434/chemrxiv-2025-ngxc3

Posted

Feb 15, 2025

Lukas Müller, Anna Zehetmeier, Anna Höfling, Henrik Gaß, Johannes Voß, Daniel Krappmann, Linda Rockmann, Elias Harrer, Dirk Zahn, Andreas Hirsch, Marcus Halik

Tailorable nanoparticles for magnetic water cleaning of polychlorinated biphenyls (PCBs)

10.26434/chemrxiv-2025-v6tn8

Posted

Feb 15, 2025

Bo Liu, Dingyi Zhao, Katelyn Lyle, Xintong Yuan, Po-Hung Chen, Xinyue Zhang, Jin Koo Kim, Tian-Yu Wang, Haoyang Wu, Chongzhen Wang, Jiayi Yu, Keyue Liang, Jung Tae Kim, Kaiyan Liang, Yuzhang Li

A quantitative figure of merit for battery SEI films and their use as functional solid-state electrolytes

10.26434/chemrxiv-2025-r4t5c

Posted

Feb 15, 2025

Madi Arsakay, Boyuan Shen, Xiao Chen, Hao Xiong, Korlan Duisenova, Alisher Fatkhulloev, Carola Vorndran, Guangwu Yang, Bayrammuhammet Annageldyyev, Sun Hwa Lee, Won Kyung Seong, Matthias Thommes, Fei Wei, Rodney Ruoff

Study of evolution of three-dimensional porous structure in zeolite-templated carbons

10.26434/chemrxiv-2025-9gg7z-v2

Posted

Feb 17, 2025

Nico Gino Kub, Robin Sievers, Marc Reimann, Tim-Niclas Streit, Simon Steinhauer, Johanna Schlögl, Martin Kaupp, Moritz Malischewski

Coexistence of Metallocene Cations and Anions

10.26434/chemrxiv-2025-wp0nd

Posted

Feb 17, 2025

Sara Sparascio, Gabriele Scarica, Alessandro Cerveri, Giulia Russo, Davide Spataro, Luciano Marchiò, Matteo Lanzi, Giovanni Maestri

Synthesis of vinyl- azetidines and beta-lactams from allenamides via energy-transfer relay

10.26434/chemrxiv-2025-vc37r

Posted

Feb 17, 2025

Yaroslav Holik, Dinakaran Murugesan, Stephen Patterson, Susan Wyllie, Ian, H. Gilbert, Fabio Zuccotto, Gary, J. Tarver

Design and Construction of a Fully Functionalised Probe Library for Mode of Action Studies

10.26434/chemrxiv-2025-4vn1q-v4

Posted

Feb 17, 2025

Radu A. Talmazan, Jakob Gamper, Ivan Castillo, Thomas S. Hofer, Maren Podewitz

From Data to Chemistry: Revealing Causality and Reaction Coordinates through Interpretable Machine Learning in Supramolecular Transition Metal Catalysis

10.26434/chemrxiv-2024-nd20j-v2

Posted

Feb 17, 2025

Paola Alletto, Ana M. Garcia, Federica Piccirilli, Silvia Marchesan

Co-assembly or self-sorting in supramolecular hydrogels? Nano-IR sheds light on tripeptide assemblies

10.26434/chemrxiv-2025-qfj9j

Posted

Feb 17, 2025

The Unique Factor Governing Atomistic Rh-Catalyzed Dehydrogenation of CH₄

Changqing Sun

10.26434/chemrxiv-2025-g0jdg

Posted

Feb 17, 2025

Rajat Goel, Nir Goldman, Ambarish Kulkarni

Electronic and Geometric contributors to Hydrogen Binding in Uranium Oxide Grain Boundaries

10.26434/chemrxiv-2025-1l111-v2

Posted

Feb 17, 2025

Leon Merker, Markus Blessing, Bojing Zhang, Helge Sören Stein

Information dense and industry scalable accelerated formation

10.26434/chemrxiv-2025-9zf4v

Posted

Feb 17, 2025

William Lawless, Mark Eschenfelder, Robert Sparks, Sarah Lawless, Stephanie Krzypkowski, Kenyon Daniel, Wayne Guida

Detection and Quantification of Changes in Oligomeric States of STING at Attomolar Concentrations of Analyte

10.26434/chemrxiv-2024-hjvh3-v5

Posted

Feb 17, 2025

Yu Wang, Sijia Zhou, Yongjun Zhen, Yongji Wang, Yuhua Hou, Kaiqing Wu, Chaofeng Huang, Songqin Liu, Yanfei Shen, Ran Chen, Yuanjian Zhang

Measurements of Local pH Gradients for Electrocatalysts in Oxygen Evolution Reaction by Electrochemiluminescence

10.26434/chemrxiv-2024-l831h-v2

Posted

Feb 17, 2025

Ryota Ozawa, Tetsuya Yamamoto

Synthesis of α,α-Difluoro-β-amino Amides using Aldimines and Bromodifluoroacetamides via Zinc-Promoted Reformatsky Reaction

10.26434/chemrxiv-2025-3dn5z

Posted

Feb 17, 2025

Jin Xiao, Yingfeng Zhang, Bowen Li, Shuwen Zhang, Ya Gao, Han Wang, John Z.H. Zhang, Tong Zhu

A Deep Learning-Augmented Density Functional Framework for Reaction Modeling with Chemical Accuracy

10.26434/chemrxiv-2024-vx4tb-v3

Posted

Feb 17, 2025

Graphically revealing weak interactions in dynamic environments using amIGM method

Tian Lu

10.26434/chemrxiv-2025-zts13

Posted

Feb 17, 2025

Volkan Kilinc, Joel Henzie, Emmanuel Picheau, Yusuke Yamauchi, Jonathan Hill

DNA Chromopods: Engineering Chromosome-Inspired Nanoarchitectures as Protocell Blueprints

10.26434/chemrxiv-2025-9q3xk

Posted

Feb 17, 2025

Chinnabattigalla Sreenivasulu, Perla Ramesh, Dakoju Ravi Kishore, Dasari Srinivas, Gedu Satyanarayana

An Oxidative Palladium-Catalyzed Remote meta–Selective Homo-Biaryl-Coupling Assisted by Nitrile Directing Templates

10.26434/chemrxiv-2025-2mj5p

Posted

Feb 17, 2025

Naoyuki Nishimura, Hiroyuki Kanda, Takurou N. Murakami

Spontaneous Perovskite Passivators Effectively Combined with PTAA Hole Transport Materials in Perovskite Solar Cells

10.26434/chemrxiv-2025-j0pmk

Posted

Feb 17, 2025

Priyanka Nath, Debanjan Bagchi, Avijit Maity, Huma Tabassum, Suman Choudhury, Naveen Kumar, Anjan Chakraborty

Interaction of Metal Ion Stabilized Oligomeric Dipeptide with Lipid Membrane: Concurrent Observations of Supported Lipid Membrane, Wetting and Uptake

10.26434/chemrxiv-2025-vcwq2

Posted

Feb 17, 2025

Lars Klemeyer, Francesco Caddeo, Tjark L.R. Gröne, Sani Y. Harouna-Mayer, Brian Jessen, Cecilia A. Zito, Jagadesh Kopula Kesavan, Ann-Christin Dippel, Fernando Igoa Saldaña, Olivier Mathon, Pieter Glatzel, Dorota Koziej

Spatially Resolved In Situ HERFD-XANES studies of ZnS Nanoparticle Synthesis at the Water-Toluene Interface

10.26434/chemrxiv-2025-800wx

Posted

Feb 17, 2025

Ida Moszczyńska, Marek Szafrański, Andrzej Katrusiak

New Osmocene and Ruthenocene Phases Reveal the Common Conformational Behavior Regulated by Anagostic Bonds in Prototypical Metallocenes

10.26434/chemrxiv-2025-c498w

Posted

Feb 17, 2025

Yongxin Li, Angelina Osipyan, Niels A.W. de Kok, Simon Schröder, Maria Founti, Peter Fodran, Ronald van Merkerk, Artur Maier, Dirk Tischler, Sandy Schmidt

Access to nitrogen-nitrogen bond-containing heterocycles through substrate promiscuity of piperazate synthases

10.26434/chemrxiv-2025-f1l90

Posted

Feb 17, 2025

James Gayvert, Alyssa Kranc, Ruslan Tazhigulov, Ksenia Bravaya

eMap 2.0: A web-based platform for identifying electron transfer pathways in proteins and protein families

10.26434/chemrxiv-2025-bvnp7

Posted

Feb 17, 2025

Pavel Khramtsov, Anastasia Novokshonova, Zarina Galaeva, Maria Morozova, Tatiana Bezukladnikova, Mikhail Rayev

A Systematic Investigation of TMB Substrate Composition for Signal Enhancement in ELISA

10.26434/chemrxiv-2025-rjw27

Posted

Feb 17, 2025

Saly Hawila, Buqin Xu, Florian Massuyeau, Romain Gautier, Nathalie Guillou, Alexandra Fateeva, Sébastien Lebegue, Inhwan Oh, Won June Kim, Gilles Ledoux, Miguel Monge, Adel Mesbah, Aude Demessence

Red emissive 1D Copper(I) Thiolates vs. green emissive 2D Copper(I) Halide Thiolates displaying second harmonic generation and two-photon absorption processes

10.26434/chemrxiv-2025-w3tzb

Posted

Feb 17, 2025

Ljiljana Stojanovic, Michael Dommett, Rachel Crespo Otero

Origins of crystallisation-induced dual emission of terephthalic and isophthalic acid crystals

10.26434/chemrxiv-2025-42hh2

Posted

Feb 17, 2025

Jia Ge, Jiduo Zhang, Moran Xu, Ming Wu, Zequan Yao, Guoyu Fu, Wenchang Zhang, Brian G. Falzon, Giuseppe Catalanotti, Jinyang Xu, Yan Jin, Dan Sun

Intelligent machining of CFRP composites via data-driven prediction and optimization: Advances, challenges and future prospects

10.26434/chemrxiv-2025-b1jjg

Posted

Feb 18, 2025

Shuqin Chen, Donglei Fan, Peer Fischer, Ambarish Ghosh, Kerstin Göpfrich, Ramin Golestanian, Henry Hess, Xing Ma, Bradley Nelson, Tania Patiño, Jinyao Tang, Katherine Villa, Wei Wang, Li Zhang, Ayusman Sen, Samuel Sánchez

Nanomotors: 20 years anniversary and future roadmap

10.26434/chemrxiv-2025-lczw9

Posted

Feb 18, 2025

Letian Wang, Wencan Wang, Xinyi Zhu, Chenming Tang, Xiaodong Jing, Yahui He, Justin Amengual, Yao Lin, Zhixiang Yu, Hua Lu

Ring-opening Polymerization of Unprotected Hydroxyproline N-Carboxyanhydride for the Facile Synthesis of Linear and Branched Poly-L-hydroxyproline

10.26434/chemrxiv-2024-k9w3s-v2

Posted

Feb 18, 2025

Pinwen Cai, Chiara Disraeli, Basilius Sauter, Saule Zhanybekova, Dennis Gillingham

A method to identify small molecule/protein pairs susceptible to protein ubiquitination by the CRBN E3 ligase

10.26434/chemrxiv-2024-8v8km-v2

Posted

Feb 18, 2025

Charlie Maslen, Purnesh Chattopadhyay, Marie Theres Kühne, Gail McConnell, Juliane Simmchen

Cryogenic milling of consumer plastics for high-throughput characterization of polydisperse, amorphous microplastics

10.26434/chemrxiv-2025-102pn

Posted

Feb 18, 2025

Hubble Entropic States and Hubble Radiation Pressure from the Hubble Sphere Energy-Gap (Mass-Gap)

Espen Haug

Posted

Feb 18, 2025

10.33774/coe-2025-h8845

The peacock’s tail is an artifact of a biased decision mechanism: description and simulation of declining threshold search

Brian Dowling

Earth and Environmental Sciences

Posted

Feb 18, 2025

10.33774/coe-2025-jpzmz

Reducing Food Wastage in the Agricultural Supply Chain.

Tanuj Samaddar

Posted

Feb 18, 2025

10.33774/coe-2025-w15qc

Felix Feller, Heiko Weber, Martina Miranda, Irina Honin, Maria Hanl, Finn Kristian Hansen

Replacing a Cereblon Ligand by a DDB1 and CUL4 Associated Factor 11 (DCAF11) Recruiter Converts a Selective Histone Deacetylase 6 PROTAC into a pan-degrader

10.26434/chemrxiv-2025-bdnwm-v2

Posted

Feb 18, 2025

Piercing the Deepest Mathematical Mystery

Vincent Granville

Posted

Feb 18, 2025

10.33774/coe-2025-6bfj1

Collatz Sequence Proof 3rd Way

Taha Muhammad

Posted

Feb 18, 2025

10.33774/coe-2025-9zpfc

An extension of Wilson's Theorem

Gennady Butov

Earth and Environmental Sciences

Posted

Feb 18, 2025

10.33774/coe-2025-9m4c2

Floor Alkemade, Georgios Papachristos

Chapter 26: Systems thinking and complexity in transitions research: Understanding system dynamics, feedback loops, and non-linear change

Posted

Feb 18, 2025

10.33774/coe-2025-lj1mm

Abylay Katbashev, Marcel Stahn, Thomas Rose, Vahideh Alizadeh, Marvin Friede, Christoph Plett, Pit Steinbach, Sebastian Ehlert

Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding

10.26434/chemrxiv-2024-pvfs0-v2

Posted

Feb 18, 2025

Anthony Edmonds, Dimitrios-Ilias Balourdas, Graham Marsh, Robert Felix, Bradley Basher, Jeff Cooper, Cari Grabl-Feesl, Madhu Kollareddy, Karim Malik, Helen Stewart, Timothy Chevassut, Ella Lineham, Simon Morley, Oleg Fedorov, James Bennett, Mohan Rajasekaran, Samuel Ojeda, Drew Harrison, Christopher Ott, Andreas Joerger, Hannah Maple, John Spencer

Structure-guided design of ISOX-DUAL-based Degraders targeting BRD4 and CBP/EP300. A case of Degrader collapse

10.26434/chemrxiv-2025-hn2j6

Posted

Feb 18, 2025

Francisco Seco, Sandro Amador, Felipe Conzuelo, Ana C. Baptista, Leonor Morgado, Ana S. Pina

Nature and mimetics: The PPII secondary structure in protein functionality and assembly of higher order structures

10.26434/chemrxiv-2025-hsc7t

Posted

Feb 18, 2025

Lucas Allan, Tim Zuehlsdorffs

FC2DES: Modeling 2D electronic spectroscopy for harmonic Hamiltonians

10.26434/chemrxiv-2025-346s1

Posted

Feb 18, 2025

Guillaume Schoenn, Cyrille Kouklovsky, Régis Guillot, Thomas Magauer, Guillaume Vincent

Total Synthesis of Dactyloquinone A and Spiroetherone A.

10.26434/chemrxiv-2025-91q45

Posted

Feb 18, 2025

Sounak Sarkar, Bo Brummerstedt Iversen

Near-zero Thermal Expansion in Coordination Polymer Cd(1,2,4-triazole)2(H2PO4)2

10.26434/chemrxiv-2025-lb3q6

Posted

Feb 18, 2025

Bikash Ranjan Isaac, S. Sreedeep, Sankeerth Satish, Subbiah Alwarappan, Vijayamohanan K. Pillai

Electrochemical Synthesis of Size-Tuned Carbon-Coated Stanene Quantum Dots at Room Temperature for High-Performance Lithium-Ion Batteries

10.26434/chemrxiv-2025-gqz38

Posted

Feb 18, 2025

Farsheed Shahbazi-Raz, Daniel Meister, Azam Mohammadzadeh, John Trant

How THC Works: Structural Insights Explaining Ligand Affinity for, and Partial Agonism of, Cannabinoid Receptor 1

10.26434/chemrxiv-2023-mbr7t-v4

Posted

Feb 18, 2025

Saketh Merugu, David Shonnard

An In-Silico Study on Transient Enzyme Diffusion and Adsorption within Lignocellulosic Biomass using a Multi-Scale Model

10.26434/chemrxiv-2025-x0q3g

Posted

Feb 18, 2025

Yinliang Guo, Yiheng Li, Sihan Chen, Oscar Poll, Yige Wu, Christopher Prier, Kai-Jiong Xiao, Phil Baran

Scalable, Convergent Total Synthesis of (+)-Saxitoxin and Related Natural Products

10.26434/chemrxiv-2025-qj8f5

Posted

Feb 18, 2025

Shixiong Zhang, Yongli Cai, Hong Wen, Liang Liu, Lei Yu, Junnian Wei, Jianping Guo, Zhenfeng Xi, Ping Chen

Synthesis of aniline from dinitrogen and benzene mediated by supported sodium on magnesium oxide

10.26434/chemrxiv-2025-6nqpf

Posted

Feb 18, 2025

Ashley Ives, Kevin Jooss, Rafael Melani, Ryan Fellers, John Janetzko, Neil Kelleher

Capillary Zone Electrophoresis-Mass Spectrometry of Intact G Protein-Coupled Receptors Enables Proteoform Profiling

10.26434/chemrxiv-2025-t2dr4

Posted

Feb 18, 2025

Jerusha Evangeline Nallarajah

Repurposing Polymeric Waste from the Textile Industry for Sustainable Biodegradable Composites: Challenges and Opportunities

10.26434/chemrxiv-2025-2mc0h

Posted

Feb 18, 2025

Jerusha Evangeline Nallarajah

Harnessing CO₂ for the Development of Biodegradable Polymers: A Review of Innovations in Green Chemistry

10.26434/chemrxiv-2025-dh55p

Posted

Feb 18, 2025

Noora Lamminen, Joshua Karlsson, Ramesh Kumar, Noolu Srinivasa Manikanta Viswanath, Snigdha Lal, Francesca Fasulo, Marcello Righetto, Mokurala Krishnaiah, Kimmo Lahtonen, Amit Tewari, Atanas Katerski, Jussi Lahtinen, Ilona Oja Acik, Erik M. J. Johansson, Ana Belén Muñoz-García, Michele Pavone, Laura M. Herz, G. Krishnamurthy Grandhi, Paola Vivo

The Promise of Operational Stability in Pnictogen-Based Perovskite-Inspired Solar Cells

10.26434/chemrxiv-2025-d8194

Posted

Feb 18, 2025

Thomas Sheridan, Rohan Wedam, Esther Tang, Joseph Hupp

MOF-based Catalysis of Hydrolytic Destruction of Nerve Agent Simulants: The Complex Role of Lewis-acid Strength

10.26434/chemrxiv-2025-7frsh

Posted

Feb 19, 2025

Alen Sam Thomas, Philip Nathaniel Immanuel, Neena Prasad, Achiad Goldreich, Jonathan Prilusky, Lena Yadgarov

Synthesis of CsPbBr₃ Decorated ZIF-8 Nanocomposite for Enhanced Photocatalytic Performance

10.26434/chemrxiv-2025-g32fr

Posted

Feb 19, 2025

First principles study of molecular hydrogen activation by defects in boron nitride

Michel Sassi, Tom Autrey

10.26434/chemrxiv-2025-6pf79

Posted

Feb 19, 2025

Timo Uhlein, Yana Reva, Martin Dierner, Johannes Will, Kirill Gubanov, Michael Moritz, Florian Winkler, Daniel Langford, Dirk M. Guldi, Christian Papp, Rainer H. Fink, Julien Bachmann, Erdmann Spiecker, Pablo Jiménez-Calvo, Mario Palacios-Corella, Siowwoon Ng

Multi-material filaments for 3D printing of photoelectrocatalytic carbon nitride composites

10.26434/chemrxiv-2025-k7kz4

Posted

Feb 19, 2025

Anirban Ghosh, Jakub Harnoš, Petr Stadlbauer, Jiri Sponer, Martina Lenarcic Zivkovic, Lukáš Trantírek

Structural basis of Bis-quinolinium scaffolds binding to Quadruplex-duplex hybrids from PIM1 oncogene

10.26434/chemrxiv-2025-k55xd

Posted

Feb 19, 2025

Ting-Hsuan Chen, Qizhang Li, Xubing Wu, Kyle Hulle, Pei-Jan Hung, Qingsong Fan, Ching-Tai Fu, Po-Chun Hsu

Active Metasurface Thermal Emitters by Metallic Polymers

10.26434/chemrxiv-2025-m586z

Posted

Feb 19, 2025

Muhammad Asif, Sana Sultan, Subhan Ishaq

Sustainable and Efficient Extraction of Furfural from Bagasse: A Quantitative Analysis and Feasibility Study for Rural Economies

10.26434/chemrxiv-2025-7bwqn

Posted

Feb 19, 2025

Vladimir D. Drabkin, André K. Eckhardt

H-Tunneling Rotamerization in Glycine Imine

10.26434/chemrxiv-2025-7mfcm-v2

Posted

Feb 19, 2025

Martin Dierner, Sophia Peters, Mingjian Wu, Carmen Rubach, Shreyas Harsha, Rakesh Kumar Sharma, Yu Zheng Siah, Siow Woon Ng, Marco Altomare, Erdmann Spiecker, Johannes Will

Role of Polycrystalline F-SnO2 Substrate Topography on Formation Mechanism and Morphology of Pt Nanoparticles by Solid-State-Dewetting

10.26434/chemrxiv-2025-vhmh5-v2

Posted

Feb 19, 2025

Arturs Sperga, Artis Kinens, Janis Veliks

Metal-Catalyzed Fluoroacetyl Carbene Transfer from Sulfonium Salts

10.26434/chemrxiv-2025-g5cqm-v2

Posted

Feb 19, 2025

Scott Stewart, Morgan John, Michael Nutt, Josephine Offer, Jeremy Duczynski, Ken Yamazaki, Tomoya Miura, Stephen Moggach, George Koutsantonis, Reto Dorta

Efficient nickel precatalysts for Suzuki-Miyaura cross-coupling of aryl chlorides and arylboronic acids under mild conditions

10.26434/chemrxiv-2024-dpn21-v2

Posted

Feb 19, 2025

Daisuke Ishikawa, Masahiko Hara

Light-Activated Nanobumps: Photoresponsive Low-Density Azobenzene Self-Assembled Monolayers

10.26434/chemrxiv-2025-qznlf

Posted

Feb 19, 2025

Maksym Herasymchuk, Kostiantyn Melnykov, Tetiana Druzhenko, Yaroslav Filatov, Dmytro Dudenko, Eugeniy Ostapchuk, Dmytro Volochnyuk, Serhiy Ryabukhin

DOS-like strategy for the spirocyclic MedChem relevant building blocks via Petasis / Grubbs reactions sequence

10.26434/chemrxiv-2025-1l7vt

Posted

Feb 19, 2025

Kate Donaghy, Dionissia Pepe, Joseph Ruddy, Eoghan McGarrigle

On the Influence of Remote Substituents on Stereoselectivity: alpha-Galactosylation via Intramolecular Hydrogen-bonding to beta-Triflate

10.26434/chemrxiv-2025-m0xsd

Posted

Feb 19, 2025

Giuseppe Di Palma, Pritam Banerjee, Kasper Enemark-Rasmussen, Sara Talebi Deylamani, Joerg R. Jinschek

Highly Efficient Removal of Perfluorooctanoic Acid from Water using Zirconium Terephthalate (UiO-66) Gel

10.26434/chemrxiv-2025-0bt3h

Posted

Feb 19, 2025

Alex Samuel Loch, Ibram Mikhail, Simona Bianco, Dipankar Ghosh, Massimo Vassalli, Andrew J Smith, Dave J Adams

A Supramolecular Benzophenone-Based Photoinitiator for Spatially-Resolved Polymerization

10.26434/chemrxiv-2025-mxfj9

Posted

Feb 19, 2025

Takehiro Matsuyama, Takafumi Yatabe, Kazuya Yamaguchi

Alkyl–aryl exchange of thioethers via Pd-catalyzed inert C(sp3)–S bond cleavage

10.26434/chemrxiv-2025-fn5jq

Posted

Feb 19, 2025

Murat Cihan Sorkun, Xuan Zhou, Joannes Murigneux, Nicola Menegazzo, Ayush Kumar Narsaria, David Thanoon, Peter A.A. Klusener, Kaustubh Kaluskar, Sharan Shetty, Efstathios Barmpoutsis, Süleyman Er

RedCat, an Automated Discovery Workflow for Aqueous Organic Electrolytes

10.26434/chemrxiv-2025-574b4

Posted

Feb 19, 2025

Sean Dunham, Kyle Juetten, Jessica Hellinger, Mohamed Gadallah, Olivia Dioli, Jennifer Brodbelt

Leveraging complementary ion activation methods with proton transfer charge reduction reactions for comprehensive characterization of monoclonal antibody heavy chain subunits

10.26434/chemrxiv-2025-08vpx

Posted

Feb 19, 2025

Rowan Pilkington, Rosa Koessler, Jesse Molloy, Stefan Braese, Daniel Priebbenow

Visible-Light Induced “Photo-Click” Reactions of Acylsilanes with Pyruvate Electrophiles

10.26434/chemrxiv-2025-b7z0z

Posted

Feb 19, 2025

Adrian Krzyzanowski, Stephen Pickett, Peter Pogány

Exploring BERT for Reaction Yield Prediction: Evaluating the Impact of Tokenization, Molecular Representation, and Pre-training Data Augmentation

10.26434/chemrxiv-2025-nq3xn

Posted

Feb 19, 2025

Qiyuan Zhao, Veerupaksh Singla, Hsuan-Hao Hsu, Brett Savoie

Graphically-Defined Model Reactions are Extensible, Accurate, and Systematically Improvable

10.26434/chemrxiv-2025-pp3xl

Posted

Feb 19, 2025

Facet-dependent polaron stability in photocatalysis by SrTiO3: A constrained DFT study

Tatsuya Joutsuka

10.26434/chemrxiv-2025-rgvcd

Posted

Feb 19, 2025

The Analogous Degradation Pathways of Oxidative Hair dyes and Melanin: An Analysis of Conjugated Bonds, Hair Color, and How it Lightens

Robin (Bobbi) DeBerard

10.26434/chemrxiv-2025-b5xlm

Posted

Feb 19, 2025

Laure de Thieulloy, Robson Oliboni, Piotr de Silva, Luis Rego

Aggregation-Induced Effects on the Nonradiative Recombination Dynamics of Inverted Singlet-Triplet Heptazine-Based Materials

10.26434/chemrxiv-2025-t2rtl

Posted

Feb 19, 2025

Juncheng Liu, Bing Xu, Evgeny Uslamin, Evgeny Pidko, Antonia Denkova, Rienk Eelkema

Reaction network analysis of organochloride mediated oxidation induced by ionizing radiation

10.26434/chemrxiv-2025-cq53z

Posted

Feb 19, 2025

Aishi Chakrabarti, Charity S. G. Ganskow, Mervic D. Kagho, Claire C. Jimidar, Lorenz Wiese, Neslihan Beyazit, Ulrike Beutling, Margarita Seeger, Silvana Smits, Stella Nyström, Anne Farewell, Anett Schallmey, Mark Brönstrup, Philipp Klahn

Synthesis and evaluation of pseudoglucosinolates (psGSLs) releasing isothiocyanates (ITCs) in the presence of azoreductases

10.26434/chemrxiv-2025-6xhv5

Posted

Feb 19, 2025

Nandan Sheernaly, Irene Shajan, Axel Steinbrueck, Bauke Albada, Nils Metzler-Nolte

Synthesis and Biological Evaluation of Thiosemicarbazone-based Antibody-Drug Conjugates

10.26434/chemrxiv-2025-9974f

Posted

Feb 19, 2025

Morten Engsvang, Jonas Elm

Iodine in the Atmosphere II: Cluster Formation Potential of Iodine Oxyacids and Iodine Oxides

10.26434/chemrxiv-2025-k6v82

Posted

Feb 19, 2025

Hongchen Ji, Anita Rágyanszki, Rene Fournier

A Machine Learning and Quantum Chemistry Approach for Identifying Prebiotic Molecules in the Interstellar Medium

10.26434/chemrxiv-2025-vnwq3

Posted

Feb 20, 2025

Anja Ramström, Daisy R. S. Pooler, Huseynagha Abasov, Monika Tomar, Stefano Crespi, Fredrik Schaufelberger

Modulation of Lanthanide Luminescence with the Mechanical Bond: Antenna-Emitter Confinement in a Compact [2]Rotaxane

10.26434/chemrxiv-2025-m46z4

Posted

Feb 20, 2025

Taiga Kosaka, Yoshiki Niihori, Tokuhisa Kawawaki, Yuichi Negishi

Synthesis of Au13-based building block clusters for programmed dimer formation and Au13 cluster dimer photoexcitation properties

10.26434/chemrxiv-2025-mhhdg

Posted

Feb 20, 2025

J. Pablo Galvez, José Zúñiga, Javier Cerezo

Assessing non-bonded aggregates populations: application to the concentration-dependent IR O-H band of phenol

10.26434/chemrxiv-2025-70p06

Posted

Feb 20, 2025

Jakob Blahusch, Konstantin S. Jakob, Johannes T. Margraf, Karsten Reuter, Bettina V. Lotsch

Predict Before You Precipitate: Learning Templating Effects in HOI Antimony and Bismuth Halides

10.26434/chemrxiv-2025-1s2mm

Posted

Feb 20, 2025

Saeedeh Saeedi, Anish Vadukoot, Corey Hopkins

Synthesis and biological characterization of 4,4-difluoro-3-(phenoxymethyl)piperidine scaffold as dopamine 4 receptor (D4R) antagonist in vitro tool compounds

10.26434/chemrxiv-2025-g6zh3

Posted

Feb 20, 2025

Francesco Mele, Andrea Aquilini, Ana Maria Constantin, Francesco Pancrazzi, Lara Righi, Andrea Porcheddu, Raimondo Maggi, Daniele Alessandro Cauzzi, Giovanni Maestri, Elena Motti, Luca Capaldo, Nicola Della Ca'

MECHANOCHEMICAL ACTIVATION OF NAHCO3: A CO2 SOLID SURROGATE IN CARBOXYLATION REACTIONS

10.26434/chemrxiv-2024-zm9fw-v3

Posted

Feb 20, 2025

Evangelos Papangelis, Luca Demonti, Iker del Rosal, Angus Shephard, Laurent Maron, Grégory Nocton, Thomas SIMLER

Room-temperature H2 splitting and N2-hydrogenation induced by a neutral Lu(II) complex

10.26434/chemrxiv-2024-jd2bq-v2

Posted

Feb 20, 2025

Rubens C. Souza, Julio Cesar Duarte, Ronaldo R. Goldschmidt, Itamar Borges Jr

Predicting Fluorescence Emission Wavelengths and Quantum Yields via Machine Learning

10.26434/chemrxiv-2024-fhzdt-v2

Posted

Feb 20, 2025

Jonathan A. Semelak, Pickering Ignacio, Kate K. Huddleston, Justo Olmos, Juan S Grassano, Camila Clemente, Salvador I. Drusin, Marcelo Marti, Mariano C. Gonzalez Lebrero, Adrian E. Roitberg, Dario A. Estrin

Advancing Multiscale Molecular Modeling with Machine Learning-Derived Electrostatics

10.26434/chemrxiv-2024-m9xgc-v3

Posted

Feb 20, 2025

Pengfei Li, Tingting Pu, Ye Mei

FEP-SPell-ABFE: An Open-Source Automated Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery

10.26434/chemrxiv-2024-tkvrh-v2

Posted

Feb 20, 2025

Turki Alturaifi, Kristin Shimabukuro, Jack Sharland, Binh Khanh Mai, Evan Weingarten, Mithun Madhusudhanan, Djamaladdin Musaev, Peng Liu, Huw Davies

HFIP Solvent Effects on Enantioselectivity of Dirhodium Tetracar-boxylate-Catalyzed Cyclopropanation

10.26434/chemrxiv-2025-mlb1q

Posted

Feb 20, 2025

Andrew Vogler, Tina Dinh, Hanlin Wang, Ghaida Aldhahri, Arfa Abrar Malik, Diego Alzate-Sanchez

Frontal Polymerization of Hydroxylated Norbornene: Fabrication of Functional Foams for Catalytic Applications

10.26434/chemrxiv-2025-h8rwj

Posted

Feb 20, 2025

The CMB Temperature is Simply the Geometric Mean: T_cmb = Sqrt(T_min*T_max) of the Minimum and Maximum Temperature in the Hubble Sphere

Espen Haug

Posted

Feb 20, 2025

10.33774/coe-2025-s7wnb

Adam Suppes, Galen Suppes

GEFT Scheduling to Maximize Value of Current Infrastructure and Upside Potential

Posted

Feb 20, 2025

10.33774/coe-2025-x07tg

Computer Science

Poster

Learn by Interaction: Advancing Agentic AI for Web Automation with LangGraph

Jialin Wang, Zhihua Duan

Posted

Feb 20, 2025

10.33774/coe-2025-b0gbv

Alexander Prophet, Kevin Wilson

A Compartmentalized Model of Multiphase Chemical Kinetics

10.26434/chemrxiv-2025-9dw51

Posted

Feb 20, 2025

Satoshi Endo, Anh T.Ngoc Do, Sakura Yoshii, Masami K. Koshikawa, Sadao Matsuzawa

Kaolinite Sorption Isotherms of Benzalkonium and Dialkyldimethylammonium Compounds under Dilute Conditions Investigated by Direct and Passive Sampling Methods

10.26434/chemrxiv-2025-12vzq

Posted

Feb 20, 2025

Huiyu Liu, Muyao Yu, Xiangyu Zhang, Yiru Sun, Yuyang Ling, Zezhao Xu, Zidi Wang, Na Yu, Yue-Biao Zhang, Ping Huai, Qisheng Wang, Xuming He, Linjiang Chen, Wei-Hong Zhu, Shan Jiang

Data-driven Discovery of Polar Organic Cocrystals: Integration of Machine Learning and Automated Screening

10.26434/chemrxiv-2025-rr1vg

Posted

Feb 20, 2025

Determining Site Requirements for Reactive Species in Multi-Site Catalysis on Metal Surfaces Using Excluded Areas

Ari F. Fischer

10.26434/chemrxiv-2025-f9955

Posted

Feb 20, 2025

Cristopher Tinajero, Marcileia Zanatta, Eduardo García-Verdugo, Victor Sans

Artificial intelligence-driven platform for catalytic reactor discovery and optimization applied to carbon dioxide valorization

10.26434/chemrxiv-2025-3gstc

Posted

Feb 20, 2025

Errikos Kounalis, Marieke M. Broekman, Puck Uyttewaal, Martin Lutz, Daniel L. J. Broere

Divergent Organomagnesium Reactivity of Rigid, Dinucleating Naphthyridine Ligands: Subtle Changes with Big Impact

10.26434/chemrxiv-2025-8kfrc

Posted

Feb 20, 2025

Tommi Hendrik Aalto, Roham Talei, Guido Schmitz, Oliver Clemens

Towards carbon-free cathodes for fluoride ion batteries: deconvoluting effects of active material and conductive additive on charging and cyclic stability

10.26434/chemrxiv-2025-0mhwm

Posted

Feb 20, 2025

Euan Brechin, Lucinda Wilson, Gary Nichol, Scott Dalgarno

A [CuII24] truncated octahedron and its [CuII8] building block

10.26434/chemrxiv-2025-l2tk4

Posted

Feb 20, 2025

Eleen Laul, Katherine Gosselé, Cristina Nevado

Two-tier Selectivity in PROTAC-Prodrugs Targeting Prostate Cancer

10.26434/chemrxiv-2025-8qlmc

Posted

Feb 20, 2025

Christian Heinekamp, Javier Castells-Gil, Phoebe K. Allan, Mike Ahrens, Minh Bui, Thomas Braun, Franziska Emmerling

Structural investigations of catalytically relevant chlorofluorides using a combined X-ray and neutron scattering approach

10.26434/chemrxiv-2025-bzh7r

Posted

Feb 20, 2025

Jessica Stahl, Marcel Fischer, Patrick Nuernberger, Burkhard Koenig

Effects of Ligands on the Cerium-Catalysed Ligand-to-Metal Charge Transfer

10.26434/chemrxiv-2025-njm7b

Posted

Feb 21, 2025

Matteo Formenti, Rosaria Ciriminna, Cristina Della Pina, Mario Pagliaro

Reduced NiGraf: An Effective Hydrogenation Catalyst of Large Applicative Potential

10.26434/chemrxiv-2025-fhf4r

Posted

Feb 21, 2025

Mi Yeon Byun, Lili Liu, Daniel Mejia Rodriguez, Eric Walter, Zihua Zhu, Niri Govind, Tom Autrey, Maria Sushko

Controlling N speciation in solution synthesis of N-doped carbon materials

10.26434/chemrxiv-2025-r6fhv

Posted

Feb 21, 2025

Learning from failures: anatomy and post-mortem analysis of an unsuccessful search for inhibitors of SARS-CoV2 papain-like protease

Pedro Silva

10.26434/chemrxiv-2025-6245x

Posted

Feb 21, 2025

Vignesh Sathyasaleen, John Morgan, Brett Savoie

Kinetics Overcome Thermodynamics in Primitive Analogs of the Reverse Tricarboxylic Acid Cycle

10.26434/chemrxiv-2025-tjbjd

Posted

Feb 21, 2025

Kaitlyn Keasler, Jaehwan Kim, Julia Pitolaj, Phillip Milner

Defluorinative Coupling of (NH)-Heteroarenes and Unactivated Vinyl Fluorides Enabled by Metal–Organic Frameworks

10.26434/chemrxiv-2025-r4408

Posted

Feb 21, 2025

Naohiko Yoshikai, Shunya Morohashi, Liejin Zhou, Kazuya Kanemoto, Eunsang Kwon

Hexadehydro Diels–Alder/Alkynyliodanation Cascade: A Highly Regioselective and Expedient Entry to Polycyclic Aromatics

10.26434/chemrxiv-2025-w5hqm

Posted

Feb 21, 2025

Ana Paula Aguilar Alva, Lucas Siemons, Ulric le Paige, Coline Wiame, Florence Cordier, Nicolas Wolff, Guillaume Bouvignies, Philippe Pelupessy, Fabien Ferrage

The SOFAST-HMBC-HMQC experiment for pairing geminal methyl groups in Valine and Leucine side-chains.

10.26434/chemrxiv-2024-pcznw-v2

Posted

Feb 21, 2025

Aarzoo Grover, Matthew A Conger, Matthew D Liptak

Stabilization of the Ferryl=oxoheme Form of Staphylococcus aureus IsdG by Electron Transfer from a Second-Sphere Tryptophan

10.26434/chemrxiv-2024-8tqvn-v3

Posted

Feb 21, 2025

Luke Rossen, Finton Sirockin, Nadine Schneider, Francesca Grisoni

Scaffold Hopping with Generative Reinforcement Learning

10.26434/chemrxiv-2024-gd3j4-v2

Posted

Feb 21, 2025

Michelle M. Nolan, Isaac M. Blythe, Paulette Vincent-Ruz

Behind Closed Doors: The Untold Challenges of Transgender and Nonbinary Graduate Students in Chemistry

10.26434/chemrxiv-2024-8nq9g-v3

Posted

Feb 21, 2025

Amel Harbaoui, Zied Jardak, Issam Smaali

A SIMPLE SIZE-EXCLUSION CHROMATOGRAPHIC (HPLC-SEC) METHOD FOR THE DETERMINATION OF BIOPOLYMER’S APPARENT MOLECULAR WEIGHT

10.26434/chemrxiv-2025-b9np3

Posted

Feb 21, 2025

Carl Thrasher, Nolan Murphy-Genao, Nicholas Sbalbi, Rebecca Li, Theodore Hueckel, Matthew Ye, A. John Hart, Robert Macfarlane

Forging Nanoparticle Superlattices with Colloidal Metallurgy

10.26434/chemrxiv-2025-rcmsl

Posted

Feb 21, 2025

Jinbin Zhu, Jiaqi Li, Zhenyue Li, Yuan Yuan, Zelan Zhu, Yanyan Wang, Zhonghao Deng, Qiuyan Tu, Zhiyong Tan, Shaobin Tang, Zhengwang Chen, Zhong-Xia Wang

Expedient construction of fused polycyclic skeletons via palladium-catalyzed dearomatization of naphthalenes and benzenes.

10.26434/chemrxiv-2025-hjjw6

Posted

Feb 21, 2025

Jin An Sam Oh, Zihan Yu, Chen-Jui Huang, Phillip Ridley, Alex Liu, Tianren Zhang, Bingjoe Hwang, Kent Griffith, Shyue Ping Ong, Ying Shirley Meng

Metastable Sodium closo-Hydroborates for Low Temperature All-Solid-State Battery with Thick Cathode

10.26434/chemrxiv-2025-sz07p

Posted

Feb 21, 2025

Taichi Mitsumoto, Taiji Nakamura, Hiromasa Tanaka, Kazunari Yoshizawa, Yoshiaki Nishibayashi

Cooperative Ammonia Formation Catalyzed by Molybdenum and Samarium Complexes

10.26434/chemrxiv-2025-4416j

Posted

Feb 21, 2025

Elena Prudnikov, Hanan Abu Hamad, Iryna Polishchuk, Alexander Katsman, Ester Segal, Boaz Pokroy

Superhydrophobic Fatty Acid-Based Spray Coatings with Dual-mode Antifungal Activity

10.26434/chemrxiv-2025-k2jdv

Posted

Feb 21, 2025

Fabian Grünewald, Leif Seute, Riccardo Alessandri, Melanie König, Peter Kroon

CGsmiles: A Versatile Line Notation for Molecular Representations Across Multiple Resolutions

10.26434/chemrxiv-2025-vhbnq

Posted

Feb 21, 2025

feng jin, Ingeborg Sellæg Ellingsen, Laras Fadillah, Quoc Hung Nguyen, Henrik Rotvær Bratlie, Daniel Knez, Gerald Kothleitner, Mir Mehraj Ud Din, Sverre M. Selbach, Günther J. Redhammer, Daniel Rettenwander

LiBF₄-Derived Coating on LiCoO₂ for 4.5 V Operation of Li₆PS₅Cl-based Solid-State Batteries

10.26434/chemrxiv-2025-2sqt6

Posted

Feb 21, 2025

Narva Deshwar Kushwaha, Pamela VanderVere-Carozza, Tyler L. Vernon, Pamela L. Mendoza-Munoz, Jitender D. Gaddameedi, Karim Ben Ali Gacem, Jean-Baptiste Charbonnier, Navnath S. Gavande, John J. Turchi

Design, Synthesis, and Structure–Activity Relationship Studies of 4-substituted Phenylpyrazolidinone Derivatives as Potent Ku70/80 Targeted DNA-PK Inhibitors

10.26434/chemrxiv-2025-trgrp

Posted

Feb 21, 2025

Joharimanitra Randrianandraina, Chang Seop Hong, Jung-Hoon Lee

Unraveling the Effects of Pore Size and Diamine Functionalization on CO2 Diffusion in Metal-Organic Frameworks using Machine-Learning Interatomic Potentials

10.26434/chemrxiv-2025-2r8s1

Posted

Feb 21, 2025

Elizaveta Maksimova, David E. Salazar Marcano, Jonathan De Roo

Quantification of azides on the surface of nanoparticles: towards precise bioconjugation

10.26434/chemrxiv-2025-swjjx

Posted

Feb 21, 2025

Pei Sun, Paul Vigneaux, Alejandro A. Franco

Discrete Element Method Model of An Extrusion Process with Recirculation for Dry Manufacturing of Lithium-Ion Battery Electrodes

10.26434/chemrxiv-2025-xzvw4

Posted

Feb 21, 2025

Nijito Mukai, Takuya Kodama, Mamoru Tobisu

Synthesis of Phenylenediamines via [4+1+1] Photocycloaddition of 1,3-Dienes and Isocyanides Enabled by a Gallium(I)/(III) Redox: The Key Role of a Phenalenyl-Based Ligand

10.26434/chemrxiv-2025-xj3jk

Posted

Feb 21, 2025

Proof of the infinity of twin primes.

Valery Gumpert

10.33774/coe-2025-1sq0v-v2

Posted

Feb 21, 2025

Espen Haug, Stephane Wojnow

Effect of Viscous Force on the Hubble Sphere: Superfluid Dynamics and the Role of Dark Energy in Preventing Universal Contraction

Posted

Feb 21, 2025

10.33774/coe-2025-gv9k5

Quentin Lemesre, Rémy Blieck, Antoine Sallustrau, Timothée D'Anfray, Frédéric Taran, Davide Audisio

Base-Promoted Dynamic Amide Exchange: Efficient Access to Isotopically Enriched Tertiary Amides

10.26434/chemrxiv-2025-cjq5h

Posted

Feb 21, 2025

Mitradip Das, Ravindra Venkatramani

AutoSIM: Redesigning and automating umbrella sampling for biomolecular conformational transitions

10.26434/chemrxiv-2025-752xn

Posted

Feb 21, 2025

Anupma Thakur, Wyatt Highland, Brian Wyatt, Jiayi Xu, Nithin Chandran B. S., Bowen Zhang, Zachary Hood, Shiba Adhikari, Emad Oveisi, Barbara Pacakova, Fernando Vega, Jeffrey Simon, Colton Fruhling, Benjamin Reigle, Mohammad Asadi, Paweł Michałowski, Vladimir Shalaev, Alexandra Boltasseva, Thomas Beechem, Cong Liu, Babak Anasori

Synthesis of a 2D tungsten MXene for electrocatalysis

10.26434/chemrxiv-2024-dprbn-v2

Posted

Feb 21, 2025

Jason S. Kahn, Brian Minevich, Aaron Michelson, Hamed Emamy, Kim Kisslinger, Shuting Xiang, Sanat K. Kumar, Oleg Gang

Encoding Hierarchical 3D Architecture through Inverse Design of Programmable Bonds

10.26434/chemrxiv-2022-xwbst-v2

Posted

Feb 21, 2025

Dongjae Kong, Jihyun Baek, Sungsoon Kim, Xiaolin Zheng

Rapid Room-Temperature Sulfidation of Commercial FeNiCo Alloy for Efficient Oxygen Evolution Reaction

10.26434/chemrxiv-2025-pq5g7

Posted

Feb 21, 2025

Hui Mei, Junlin Wen, Chunlei Zhang, Xue Chen, Ziwen Dai, Mengting Li, Wenjian Ma, Xiaoluo Huang, Chenghe Xiong

A Novel Nucleic Acid Analogue (eTNA) Enhances Oligonucleotide Exonuclease Resistance Through End Capping

10.26434/chemrxiv-2025-vvjd7

Posted

Feb 21, 2025

Oliver Calderon, Viola Birss, Simon Trudel

Design and commissioning of a high-temperature electrochemical cell for hard x-ray in-operando studies

10.26434/chemrxiv-2025-7sxv7

Posted

Feb 21, 2025

Eduardo González, Pablo Varas, Pedro González-Naranjo, Eugenia Ulzurrun, Guillermo Marcos-Ayuso, Concha Pérez, Juan A. Páez, David Rios-Insua, Simón Rodríguez Santana, Nuria E. Campillo

AI-driven de-novo design and development of non-toxic DYRK1A inhibitors

10.26434/chemrxiv-2024-rcx7n-v2

Posted

Feb 21, 2025

Rumiana Tenchov, Qiongqiong Angela Zhou

Assisted Reproductive Technology: A Ray of Hope for Infertility

10.26434/chemrxiv-2025-5sfk1

Posted

Feb 21, 2025

Shi-Wu Li, Wei Li, Zhifei Zhao

Catalytic Asymmetric Synthesis of Fused Polycyclic Tetrahydropyridazine through Inverse‐Electron‐Demand Aza-Diels-Alder Reaction of Olefins with Azoalkenes in Situ Generated from α‑Halogeno Hydrazones

10.26434/chemrxiv-2025-p3d20

Posted

Feb 21, 2025

Karsten Mohn, Bin Dong, Shivam Mahapatra, Ishaan K. Singh, Justin P. Lomont, Boyong Wan, Chi Zhang

Spontaneous or Stimulated? Investigating Raman’s Detection Limits in Aqueous Environments

10.26434/chemrxiv-2025-rfc48-v2

Posted

Feb 21, 2025

Geography

Neve Fields, Alycia Leonard, Martin Mutembei, Anne Nganga, Leigh Martindale, Marissa Bergman, Mwansa Kaoma, Mark Howells, Ed Brown

Endogenous integration of qualitative factors into quantitative energy transition modelling.

Version undefined posted 22 February 2025

Posted

Feb 22, 2025

10.33774/coe-2025-714lh-v3

Version undefined posted 23 February 2025

Ectomycorrhizas and tropical soils: the importance of sampling scale and the recognition of ecosystem feedback

David Newbery

Posted

Feb 23, 2025

10.33774/coe-2025-v4t93

Mohammed S. Abdelbassit, Zhanghao Ren, Paul G. Young, Samuel Yick, Kai Sun, Shanghai Wei, Ziyun Wang, Tilo Söhnel

Isolated and condensed Ru(In/Sn)6 octahedra clustering together: A mixed valence phase of Ru4Sn20In2O21 with Ru0, Ru+ and Ru2+ species

10.26434/chemrxiv-2025-vtj4j

Posted

Feb 24, 2025

Juhyeon Ahn, Matthew J. Crafton, Krishna Prasad Koirala, Tianyu Li, Raphaële J. Clément, Yanbao Fu, Vincent Battaglia, Dennis Nordlund, Chongmin Wang, Bryan D. McCloskey, Stephen J. Harris, Marca M. Doeff, Guoying Chen

Key Parameters Controlling Energy Performance in Manganese Cathodes

10.26434/chemrxiv-2025-mvj7j

Posted

Feb 24, 2025

Jerusha Evangeline Nallarajah

Sustainable Synthesis of Semicrystalline Polymers: Green Chemistry Approaches and Applications

10.26434/chemrxiv-2025-2rt1f

Posted

Feb 24, 2025

Lucia Suarez Menendez, David J. Owen, Nathan R. Zaccai, Armando Maestro, Alberto Alvarez-Fernandez

Engineering Curvature: Block Copolymer Lithography for the Fabrication of Curved Lipid Membranes and Their Impact on Protein-Membrane Interactions

10.26434/chemrxiv-2025-2gk79

Posted

Feb 24, 2025

Photo-Electrochemical Geminal α-Fluorosulfenylation of Diazo Compounds through Carbene Radical Anion Intermediate

Rajib Maity, Biplab Maji

10.26434/chemrxiv-2025-5b068

Posted

Feb 24, 2025

Bernadette Davies, Fernando Garcia-Martinez, Christopher Goodwin, David Degerman, Markus Soldemo, Patrick Lömker, Vladimir Grigorev, Sara Boscolo Bibi, Harri Ali-Löytty, Robin Engel, Tony Hansson, Christoph Schlueter, Xiaodong Zou, Anders Nilsson, Sergey Koroidov

Insight into the carbon monoxide reduction reaction on Cu(111) from operando electrochemical X-ray photoelectron spectroscopy

10.26434/chemrxiv-2025-xj2lf

Posted

Feb 24, 2025

Selwin Fernando, Yi Chen Chan, Sergio Fernandez, Enric Sabater, Graham Tizzard, Simon Coles, Diego M. Andrada, Oriol Planas

Zwitterionic Heavier Pnictinidenes in Redox Catalysis

10.26434/chemrxiv-2025-hx2sd

Posted

Feb 24, 2025

Pooja Sah, Manmohan Kapur

Remote C(sp3) gamma- and epsilon-Arylation of Dienones and Trienones via a Co(II)-Catalyzed C–H Functionalization

10.26434/chemrxiv-2025-1ss78

Posted

Feb 24, 2025

Helen Leung, Royston Copley, Giulio Lampronti, Sarah Day, Lucy Saunders, Duncan Johnstone, Paul Midgley

Polytypes and Planar Defects Revealed in the Purine Base Xanthine using Multi-Dimensional Electron Diffraction

10.26434/chemrxiv-2025-hj8ks

Posted

Feb 24, 2025

Thi Ngoc Lan Vu, Hosein Fooladi, Johannes Kirchmair

Integrating Machine Learning-Based Pose Sampling with Established Scoring Functions for Virtual Screening

10.26434/chemrxiv-2025-96kzg-v2

Posted

Feb 24, 2025

Matheus Máximo-Canadas, Julio Cesar Duarte, Jakler Nichele, Leonardo Alves, Luiz Octavio Pereira, Rogerio Ramos, Itamar Borges

A systematic and general machine learning approach to build a consistent data set from different experiments: application to the thermal conductivity of methane

10.26434/chemrxiv-2024-g6bsl-v3

Posted

Feb 24, 2025

Dominic Schatz, Conrad Averdunk, Rouven Fritzius, Hermann A. Wegner

An Azobenzene-Based Liquid Molecular Solar Thermal (MOST) Storage System – Energy Carrier and Solvent

10.26434/chemrxiv-2025-7v3ds-v2

Posted

Feb 24, 2025

Veer Bhatia, Divya Ramamoorthy

Structure-Based Drug Design to Discover Potential Hit Molecules for the Trim71 protein to prevent Congenital Hydrocephalus

10.26434/chemrxiv-2025-fh2v7-v2

Posted

Feb 24, 2025

Jacob-Jan Haaksma, J. Prathap Kaniraj, Wiktoria M. Opielak, June van Egmond, C. Maurits de Roo, Wesley R. Browne, Adriaan J. Minnaard, Martin Witte

Ammoxidation of Unprotected Glycosides: A One-Pot Conversion of Alcohols to Nitriles

10.26434/chemrxiv-2025-54r18

Posted

Feb 24, 2025

Hang Yin, Yinghao Li, Wenxin Wang, Jing Lyu

Accelerated stochastic simulation of free radical polymerization through a hybrid algorithm

10.26434/chemrxiv-2025-gxj4r

Posted

Feb 24, 2025

Madushmita Hatimuria, Jyoti Vishwakarma, Sudhanshu Sharma, Krishna Gavvala, ASHOK PABBATHI

Natural Deep Eutectic Solvent Acts as an Activator of Laccase Enzyme

10.26434/chemrxiv-2025-2glvd

Posted

Feb 24, 2025

Tianshuai Zhu, Xinyu Xie, Yue Zhang, Hua-Wei Liu, Jing-Jing Zhang, Zhen Chen

Chemodivergent Defluorinative Alkylation and Hydroalkylation of α-Trifluoromethyl Alkenes via Eosin Y Catalysis and EDA Photo-chemistry

10.26434/chemrxiv-2025-z7wcx

Posted

Feb 24, 2025

Alberto Marbán-González, José L. Medina-Franco

Structure-Activity Relationships and Design of Focused Libraries Tailored for Staphylococcus aureus Inhibition

10.26434/chemrxiv-2025-nszrb

Posted

Feb 24, 2025

Ton Blackshaw, Joseph Davies, Kristian Spoerer, Jonathan Hirst

Enhancing Monte Carlo Tree Search for Retrosynthesis

10.26434/chemrxiv-2025-dlrq7

Posted

Feb 24, 2025

Saskia Heermant, Ronja Rabea Paschke, Jacek Kozuch

Antiparallel to Parallel β-Sheet Transition of Amyloid-β is Promoted by the Ability to Incor-porate into Membranes

10.26434/chemrxiv-2025-x204f

Posted

Feb 24, 2025

Cedric Jünemann, Arne Langhoff, Diethelm Johannsmann

Measurement of electrophoretic forces and the kinetics thereof with an AFM cantilever

10.26434/chemrxiv-2025-8k5qn

Posted

Feb 24, 2025

Dennis Kollofrath, Florian Kuhlmann, Sebastian Requardt, Yasar Krysiak, Sebastian Polarz

A Self-Regulating Shuttle for Autonomous Seek and Destroy of Microplastics from Wastewater

10.26434/chemrxiv-2025-s2864

Posted

Feb 24, 2025

Yash Samantaray, Daniel A. Cogswell, Alexander E. Cohen, Martin Z. Bazant

Electrochemically Resolved Acoustic Emissions from Li-ion Batteries

10.26434/chemrxiv-2025-r7vwq

Posted

Feb 24, 2025

Model for Diffusion Limited Crystal Growth with Growth Rate Dispersion Yielding a System of Discrete Kinetic Modes

Douglas Barlow

10.26434/chemrxiv-2025-m5kv9

Posted

Feb 24, 2025

Kousaku Ohkawa, Tracy Nguyen, Chloe Jin, Hemdeep Kaur, Beatrice Mae Malvar, Rebecca Back, Parisa Khosropour, Shuichi Suzuki, Frank P. K. Hsu, Ichiro Yuki

Development of 5-Amino-2,4,6-triiodoisophthalic Acid Derivatives for Carbamoylation of Amino Acids

10.26434/chemrxiv-2025-xwj66

Posted

Feb 24, 2025

Piyali Pahari, Srinivasan Ramakrishnan

Extended Cycling Stability in an Anodeless Solid-State Battery at Ambient Pressure and Temperature Enabled by a Corroded, Reactive Interphase

10.26434/chemrxiv-2025-7jc1f

Posted

Feb 24, 2025

Janek Bernzen, Karl-Michael Weitzel

Alkali diffusion in niobium doped SrTiO3 – Transport pathways, Diffusion coefficients and Activation energies

10.26434/chemrxiv-2025-xdph9

Posted

Feb 24, 2025

Susel Del Sol Fernandez, Oscar F. Odio, Giuseppina Tommasini, Francisco J. Terán, Jesus G. Ovejero, Javier Rubín, Maria Moros

Unraveling the Mn2+ Substitution Effect on the Structural, Magnetic, and Heating Properties of MnxFe3-xO4 Magnetic Nanoparticles

10.26434/chemrxiv-2025-16j7d

Posted

Feb 24, 2025

Ana Jimenez Amaya, Claire Goldmann, Maike Haidasch, Cyrille Hamon, Eric Hill

Co-Solvent-aided Opto-Thermophoretic Printing of Gold Nanorod Assemblies

10.26434/chemrxiv-2025-3fvd0

Posted

Feb 24, 2025

Optically-Directed Bubble Printing of MXenes on Flexible Substrates Toward MXene-Enabled Wearable Electronics and Strain Sensors

Marcel Herber, Eric Hill

10.26434/chemrxiv-2025-3rdmx

Posted

Feb 24, 2025

Economics

Optimal Salaries of Researchers with Motivational Emergence

Eldar Knar

Posted

Feb 24, 2025

10.33774/coe-2025-6125r

Maximilian J. Notheis, Vigan Sahiti, Vivienne Prangenberg, Johannes S. Kruse, Larissa K. S. von Krbek

2,8-Dihalogenated diazocines: versatile reactants for functionalised photoswitches

10.26434/chemrxiv-2025-0s8n8

Posted

Feb 25, 2025

Komal Chillar, Rohith Awasthy, Marina Tanasova, Shiyue Fang

Synthesis of sensitive oligodeoxynucleotides containing acylated cytosine, adenine, and guanine nucleobases

10.26434/chemrxiv-2025-g5fz9

Posted

Feb 25, 2025

Gbolagade Olajide, Khagendra Baral, Sophia Ezendu, Ademola Soyemi, Tibor Szilvasi

Application of Machine Learning Interatomic Potentials in Heterogeneous Catalysis

10.26434/chemrxiv-2025-vt9qc

Posted

Feb 25, 2025

William Lambert, Stephanie Felten, Nicholas Hadler, N. Ian Rinehart, Rafal Swiatowiec, Gregory Storer, Jeremy Henle, Mark Servos, Cassie Yang, Anna Bay, Pascal Eyimegwu, Shashank Shekhar, John Hartwig

Unleashing the Power of Potassium 2-Ethylhexanoate as a Mild and Soluble Base for Pd-catalyzed C-N Cross-Coupling

10.26434/chemrxiv-2025-59c10

Posted

Feb 25, 2025

Peter Canfield, Maxwell Crossley

Rigorous Treatment of Polytopal Rearrangements Reveal Surprising Complexity of Stereoisomerism Configuration Landscapes

10.26434/chemrxiv-2025-tq00x-v2

Posted

Feb 25, 2025

Wang Li, Hong Yang, Qiushi Ruan, Sicheng Liang, Yanfei Shen, Songqin Liu, Haibin Zhu, Yuanjian Zhang

Single Semiconductor-Based Photocurrent Switching via Light Intensity for Selective Biosensing

10.26434/chemrxiv-2024-h0b3g-v2

Posted

Feb 25, 2025

Michael Adamos, William Rickard, Wilhelm van Bronswijk, Georgina Sauzier

In situ profiling of pen ink degradation on paper using Raman spectroscopy and ToF-SIMS

10.26434/chemrxiv-2025-wkp38-v2

Posted

Feb 25, 2025

Daisuke Sakamaki, Koki Tsubono, Minami Nakamura, Daiki Shimizu, Yasunori Matsui, Hiroshi Ikeda, Ko Furukawa, Hideki Fujiwara

Intermolecular Toroidal Conjugation: Circularly Stacked 16 π-Planes Formed by Supramolecular Assembly Enabling Cyclic Charge and Energy Delocalization

10.26434/chemrxiv-2025-hnn6b-v2

Posted

Feb 25, 2025

Julie Leseberg, Thaige Gompa, Emily Mikeska, Allen Oliver, Victor Day, Henry La Pierre, James Blakemore

Redox Tuning of Metals with High Coordination Numbers: Quantifying Systematic Charge Density Effects of Co-encapsulated Cations

10.26434/chemrxiv-2024-sbzfx-v2

Posted

Feb 25, 2025

Emre B. Boz, Ameya Bondre, Ronald de Bruijne, Antoni Forner-Cuenca

Conductive Polymer Coatings Control Reaction Selectivity in All-Iron Redox Flow Batteries

10.26434/chemrxiv-2024-977zk-v2

Posted

Feb 25, 2025

Maike Eckhoff, Aleria Garcia-Roca, Shubham Deolka, Liudmila Seidel, Matthew S. Sigman, Jonny Proppe

Predicting the stability of base-mediated C–H carboxylation adducts using data science tools

10.26434/chemrxiv-2025-5tlrl

Posted

Feb 25, 2025

Korak Kar, Sabiar Rahaman, Yuchen Liu, Bhalerao Krishna, Hiran Jyothilal, Benjamin Duff, Dinachandra Singh, Basker Sundararaju, Kumar Biradha, Ashok Keerthi

Nitrogen Abundant Hexaazatriphenylene-diaminobenzidine Covalent Organic Framework as Promising Cathode Material in Lithium-ion Battery

10.26434/chemrxiv-2025-xf4bl

Posted

Feb 25, 2025

Thomas Thorpe, Natasha Kisseroudis, Stephen Wallace

Biocompatible photochemistry for the spatiotemporal control of microbial growth

10.26434/chemrxiv-2025-qdjjg

Posted

Feb 25, 2025

Dongyang Chen, Hui Wang, Feng Huang, David Cordes, Aidan McKay, Kai Wang, Xiao-Hong Zhang, Eli Zysman-Colman

It Matters Where the Heavy Atom is Placed: Optimizing the Spin-Orbital Coupling in Multiresonant TADF (MR-TADF) Emitters and Its Impact on OLED Performance

10.26434/chemrxiv-2025-m13j8

Posted

Feb 25, 2025

Sourab Barath Vijayaraghavan, Matthias Baldofski, Alejandro A. Franco

Elucidating Pt/C and ionomer aggregation dynamics in the manufacturing of Fuel Cell catalyst layers: a discrete element method approach

10.26434/chemrxiv-2025-t5rxn

Posted

Feb 25, 2025

Anand Ayyar, Rodrigo Lima, Adedeji Adelodun, Berit Nagorsen, Jacob Kirkensgaard, Svemir Rudić, Heloisa Bordallo, Jiwoong Lee

Comprehensive Analysis of Crystalline Hydrophobic Alkylated Poly(ethyleneimine)s

10.26434/chemrxiv-2025-4prds

Posted

Feb 25, 2025

Honggen Wang, Yuan Liu, Jun-Yunzi Wu, Qi Fan, Yifan Yang, Yin Li, Shuang Lin, Jiang-Hao Xue, Qingjiang Li

Development of Indolo-Bicyclo[3.1.1]heptane as a Carbazole Isostere through Radical Indolization of Bicyclo[1.1.0]butanes

10.26434/chemrxiv-2025-ls2nr

Posted

Feb 25, 2025

Oleksandr Datsenko, Andrii Baziievskyi, Iryna Sadkova, Bismarck Campos, James Brewster II, John Kowalski, Ronald Hinklin, Pavel Mykhailiuk

An Approach to Alkyl Azetidines for Medicinal Chemistry

10.26434/chemrxiv-2025-qmdhg

Posted

Feb 25, 2025

Hammad Farooq, Sulalit Bandyopadhyay

Material Characterization of NMC Black Mass from End-of-Life Lithium-Ion Batteries for Enhanced Recycling Strategies

10.26434/chemrxiv-2025-bqzl2

Posted

Feb 25, 2025

Zhenyu Xi, Syuan-Ting Alex Kuo, Xiao Cong, Xin Yan, David Russell

Revealing Anisotropic Growth of Liraglutide Oligomers by Native Ion Mobility Mass Spectrometry and Molecular Dynamics Simulation

10.26434/chemrxiv-2025-pk208

Posted

Feb 25, 2025

Shipan Xu, Wenping Liu, An Yan, Xuyang Du, Yuanhui Sun, Junfei Tao, Guijiang Zhou, Zhao Chen, Xiaolong Yang

Enhancing the Reverse Intersystem Crossing (RISC) Rates and Efficiencies of Multi-Resonance Thermally Activated Delayed Fluorescence (MR-TADF) Emitters with a U-shaped Molecular Structure for Solution-Processed OLEDs

10.26434/chemrxiv-2025-3k0zn

Posted

Feb 25, 2025

Fathya Salih, Dinis Abranches, Edward Maginn, Yamil Colón

Open-Source Generation of Sigma Profiles: Impact of Quantum Chemistry and Solvation Treatment on Machine Learning Performance

10.26434/chemrxiv-2025-jggvw

Posted

Feb 25, 2025

Siddha Sethi, Arnab Dutta, Emil I. Jaffal, Nishant Yadav, Danila Shiryaev, Brian Hoang, Anirudh Machathi, Sangjoon Lee, Karabi Das, Partha Jana, Anton Oliynyk

Unsupervised Machine Learning Prediction of Novel 1:3 Intermetallic Phase with Synthesis of TbIr3 (PuNi3-type) as Experimental Validation

10.26434/chemrxiv-2025-cc0dq

Posted

Feb 25, 2025

Qunlong Zhang, Jingyi Kang, Tiancheng Tan, Guanjun Dong, Jianwei Chen, Zhaoyong Lu

Total synthesis of 1’-epi-septosones B and C and the originally assigned structures of spiroetherones A and B

10.26434/chemrxiv-2025-9fk9f

Posted

Feb 25, 2025

Lukas Zeisel, Lucas Dessen-Weissenhorn, Karoline C. Scholzen, Andrea Madabeni, Laura Orian, Elias S. J. Arnér, Oliver Thorn-Seshold

Bicyclic selenenyl sulfides tune stepwise rates of thiol/selenol addition, resolution, and cyclisation, to reveal cellular constraints for bioreductive probes targeting mammalian thioredoxin reductase

10.26434/chemrxiv-2025-6vbn2

Posted

Feb 25, 2025

Maria C Lucana, Shambhavi Pandey, Salvador Borrós, Benjamí Oller-Salvia

Development of simplified, photo-active, and TfR1-targeted poly(β-aminoester)-zwitterion nanovehicles for gene delivery across brain endothelium

10.26434/chemrxiv-2025-wcxb8

Posted

Feb 25, 2025

Victor Duran Arroyo, Roger Nunez, Rebeca Arevalo

From C-F Activation to Catalytic Regioselective Hydrodefluorination of Pyridines with a Bench-Stable Nickel Complex

10.26434/chemrxiv-2024-cm32m-v2

Posted

Feb 25, 2025

Dyeing to Know: Harmonising Nile Red Staining Protocols for Microplastic Identification

Derek Ho, Julie Masura

10.26434/chemrxiv-2024-wbf7n-v3

Posted

Feb 25, 2025

Husam Nassar, Anne-Christin Sarnow, Ismail Celik, Mohamed Abdelsalam, Dina Robaa, Wolfgang Sippl

Ternary Complex Modeling, Induced Fit Docking and Molecular Dynamics Simulations as a Successful Approach for the Design of VHL-mediated PROTACs Targeting the Kinase FLT3

10.26434/chemrxiv-2025-2n40d-v2

Posted

Feb 25, 2025

Chih-Hsuan Yang, Rebekah Duke, Parker Sornberger, Moses Ogbaje, Chad Risko, Baskar Ganapathysubramanian

MolGen-Transformer: A molecule language model for the generation and latent space exploration of pi-conjugated molecules

10.26434/chemrxiv-2025-n0tnl

Posted

Feb 25, 2025

Thomas McPartlon, Charles Osborne, Ke Wang, Rachel Detwiler, Konrad Meister, Jessica Kramer

An Ultra-Potent, Ultra-Economical, Antifreeze Polypeptide

10.26434/chemrxiv-2025-gvb4b

Posted

Feb 25, 2025

Hsiang-Ting Lee, Han-Wen Chang, Yeh-Tung Lin, Shing-Jong Huang, Meng-Hsin Wu, Chang-Shun Tsai, Ling-Hsien Tu, Ming-Che Lee, Yun-Ru Chen, Jerry Chun Chung Chan

Oligomeric Protein Complexes formed by Beta Amyloid Peptides and Their Molecular Associates

10.26434/chemrxiv-2025-lkjws

Posted

Feb 25, 2025

Law

Nikah-Halala in India: Practice, Precept, and Perception

Mohd Imran

Posted

Feb 25, 2025

10.33774/coe-2025-vv56p

30 yr Danum: the dynamics of a primary rainforest

David Newbery

Posted

Feb 26, 2025

10.33774/coe-2025-kcc9d

Yoshifumi Toyama, Takumu Nakamura, Yushin Horikawa, Yuta Morinaka, Yohei Ono, Akiko Yagi, Kenichiro Itami, Hideto Ito

Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds

10.26434/chemrxiv-2025-np2hv

Posted

Feb 26, 2025

Rashid Siddique, Jack Clegg, Lachlan Packman, John McMurtrie

A series of Cu(II), Zn(II), Cd(II) and Zr(IV) MOFs with acetylene and triazole functionalized linkers

10.26434/chemrxiv-2025-wndjc

Posted

Feb 26, 2025

Stefan Schramm, Tim Lippold, Isabelle Navizet

Chemiluminescent 2-Coumaranones: Synthesis, Luminescence Mechanism, and Emerging Applications

10.26434/chemrxiv-2025-j7zl0

Posted

Feb 26, 2025

Raheel Hammad, Soumya Ghosh

Predicting the binding sites of alkali atoms on transition metal dichalcogenides with a machine learning model based on electrostatics

10.26434/chemrxiv-2025-l3gpw

Posted

Feb 26, 2025

Irena Padniuk, Otilia Stoica, Rafal Zuzak, Remi Blieck, Mariusz Krawiec, Antonio M. Echavarren, Szymon Godlewski

On-Surface Synthesis of Oxygen-Doped Analogues of Higher Acenes

10.26434/chemrxiv-2025-x8b82

Posted

Feb 26, 2025

Jose Sanchez Costa, Estefania Fernandez-Bartolomé, Jorge Sangrador-Perez, Javier Urieta-Mora, Ana Martinez-Martinez, Raquel Utrera-Melero, Ruben Turo-Cortes, Carolina Sañudo, Roberta Poloni, David Fairen-Jimenez, Juan Cabanillas-Gonzalez, Nazario Martín

Van der Waals-Enhanced Luminescence for CO2 detection in a Europium Metal-Organic Framework Composite

10.26434/chemrxiv-2025-vf9l8

Posted

Feb 26, 2025

Jonas Spielmann, Franziska Heck, Max Deutschmann, Miriam Seebach, Daniel Braig, Antonia Streck, Arne Scholtissek, Marcus Rose, Hermann Nirschl, Felix Reinauer, Kathrin Hofmann, Barbara Albert, Ulrike Kramm

Iron as energy carrier – Mechanistics of iron oxidation and iron oxide reduction deduced from in-situ techniques

10.26434/chemrxiv-2025-1gvsm

Posted

Feb 26, 2025

Cheng Chen, Jiawei Liu, Ivan N. Myasnyanko, Daniil I. Rudik, Anita H. Adams, Alice R. Walker, Mikhail S. Baranov, Chong Fang

Meta effect enables redder and larger Stokes shift chromophores by enhanced aromaticity reversal

10.26434/chemrxiv-2025-56x1p

Posted

Feb 26, 2025

Mayurika Das, Sujit Kamilya, Subhankar Mandal, Sher Singh Meena, Jiri Pechousek, Radovan Herchel, Abhishake Mondal

Realizing the magneto-structural correlation of a highly anisotropic Fe(III) porphyrin complex through ab-initio approaches

10.26434/chemrxiv-2025-lwh8m

Posted

Feb 26, 2025

Polyelectrolyte brush at thermal equilibrium: A density functional theory approach

Mike Edwards

10.26434/chemrxiv-2025-tfls5-v3

Posted

Feb 26, 2025

Tomasz Rzemieniecki, Damian Krystian Kaczmarek, Witold Stachowiak, Katarzyna Marcinkowska, Michał Niemczak

How does the molar ratio between two anions affect the properties of surface active double salt ionic liquids (DSILs)?

10.26434/chemrxiv-2024-rq2ls-v2

Posted

Feb 26, 2025

Kinshuk Ghosh, William. D. Lubell

N- to C-Peptide Synthesis, Arguably the Future for Sustainable Production

10.26434/chemrxiv-2025-3n4kd-v2

Posted

Feb 26, 2025

Jiangpeng Liu, Yuping Dai, Devon Robinson, Bo Li, Karinne Miqueu, Shih-Yuan Liu

Synthesis of Chiral δ-Aminoboronic Esters by Enantioselective Hydrogenation of 1,2-Azaborines

10.26434/chemrxiv-2024-tk90h-v3

Posted

Feb 26, 2025

Peter Canfield, Maxwell Crossley, Jonathan Spreer, Stephan Tillmann

Defining stereoisomeric configuration spaces and subspaces for arbitrary coordination centres ABn

10.26434/chemrxiv-2025-gc7s6-v2

Posted

Feb 26, 2025

Protyush Sahu, Jay Brown, Silvia Borsari, Jeff Hull

Chemical Vapor Deposited Si:P Epitaxial Growth for DRAM Bit Contact

10.26434/chemrxiv-2025-dkw14-v2

Posted

Feb 26, 2025

Protyush Sahu, Madhana Sunder, Jesse Wensel, Silvia Borsari

Process Characterization of Epitaxial SiP [100] and [110] Films

10.26434/chemrxiv-2025-484mk-v3

Posted

Feb 26, 2025

Yuwei Qian, Qingyu Dong, Ruowei Yi, Wujun Zhang, Xuechun Wang, Haiyang Zhang, Hui Shao, Patrice Simon, Yanbin Shen, Liwei Chen

Heated-to-Frozen Electrochemical Interphases Formation Strategy Enables Stable 4.5 V Li-metal Batteries in Ether-based Electrolyte

10.26434/chemrxiv-2025-pz9m7

Posted

Feb 26, 2025

Sujit Kamilya, Aneesh Dash, Viphretuo Mere, Ashutosh Mohanty, Shankar Kumar Selvaraja, Akshay Naik, Abhishake Mondal

Large Thermo-Optic Blue Shift in a Silicon Micro-ring Resonator using Fe/Co Bistable Molecule

10.26434/chemrxiv-2025-8l031

Posted

Feb 26, 2025

Mayurika Das, Sujit Kamilya, Sakshi Mehta, Radovan Herchel, Abhishake Mondal

Magnetic sponge like behavior in a heterobimetallic cyanide bridged 1D ladder chain

10.26434/chemrxiv-2025-tdl69

Posted

Feb 26, 2025

Sakshi Mehta, Sujit Kamilya, Sounak Ghosh, Debopam Sarkar, Yanling Li, Rodrigue Lescouëzec, Mathieu Rouzières, Jiří Pechoušek, Pradip Kumar Mondal, Irshad Kariyattuparamb Abbas, Boby Joseph, Subrata Ghosh, Abhishake Mondal

Stepwise Spin-State Switching with Symmetry Breaking and ON/OFF Photo-switching in Iron(II) Complex

10.26434/chemrxiv-2025-67h0z

Posted

Feb 26, 2025

Nicholas Beck, Cristian Celis-Barros, Madeline Martelles, Joseph Sperling, Zhuanling Bai, Jacob Brannon, Daniela Gomez Martinez, Zachary Huffman, Brian Long, Kacy Mendoza, Robert Merinsky, Brian Rotermund, Todd Poe, Thomas Albrecht

Non–linear bonding trends in maleonitrile-1,2–dithiolate complexes of the transuranium actinides (An(3+) = Np(3+) – Cf(3+) excl. Bk(3+))

10.26434/chemrxiv-2025-7nv75

Posted

Feb 26, 2025

Soumadip Das, Navonil Chakrabarti, Bipul Mondal, Sayam Sen Gupta

Electrocatalytic N2 to N2H4 Conversion Using a Co(III) Dipyrrin-Dicarboxamide Complex

10.26434/chemrxiv-2025-30wlz

Posted

Feb 26, 2025

Takuto Sakamoto, Tomoyuki Matsuoka, Hiroto Ito

The Security Council in Its Entirety: Unveiling 80 Years of Deliberation through the UNSC Meetings and Speeches Dataset

Posted

Feb 26, 2025

10.33774/apsa-2025-knmbk

Bijoy Dey, Debopam Sarkar, Sounak Ghosh, Sakshi Mehta, Krishna Kaushik, Subrata Ghosh, Abhishake Mondal

Exploring Multi-functionality in Spin Crossover Complexes: A Special Emphasis on Synergistic Luminescence and Dielectric Properties

10.26434/chemrxiv-2025-99d55

Posted

Feb 27, 2025

Turki Alturaifi, Grace Scofield, Shengchun Wang, Peng Liu

A Database of Steric and Electronic Properties of Heteroaryl Substituents

10.26434/chemrxiv-2025-8nrh7

Posted

Feb 27, 2025

Aditya Sapre, Xiaotian Lu, Yu-Ching Tseng, Mariam Monsour, Niladri Sekhar Mandal, Ayusman Sen

Non-reciprocal Chemotactic Movement in Enzyme Cascade Under Flow-Free Conditions

10.26434/chemrxiv-2025-73fkw

Posted

Feb 27, 2025

Sung Joon Won, Benjoe Rey Visayas, Kuo Hao Lee, Rey Capangpangan, Lei Shi

Decoding the Structure-Activity Relationship of the Dopamine D3 Receptor-Selective Ligands Using Machine and Deep Learning Approaches

10.26434/chemrxiv-2025-qtp1q

Posted

Feb 27, 2025

William Charles Hosie, Mary Augustina Egbuta, Kasra Razmkhah, Behzad Bolandi, Khalilalrahman Dehvari, Anton Homon, Aleena Kappadakunnel, Jonathan J. Simone, Abhinandan Banerjee, John Frederick Trant

Hemp proteins conjugated with green tea polyphenol extract form de novo plant-sourced emulsifiers suitable for nanodelivery systems bearing lipophilic psychopharmaceuticals

10.26434/chemrxiv-2025-pjfn9

Posted

Feb 27, 2025

Matthew Kroonblawd, Amitesh Maiti, Laurence Fried

Image Distinguishability Analysis Testing through Principal Components and its Application to Hot Spot Scale Invariance

10.26434/chemrxiv-2025-dl116

Posted

Feb 27, 2025

Harekrushna Behera, Tyler Duncan, Laxmicharan Samineni, Hyeonji Oh, Ankit Jogdand, Arnav Karnik, Raman Dhiman, Aida Fica, Tzu-Yun Hsieh, Venkat Ganesan, Manish Kumar

Lanthanide Selective Biomimetic Nanopores

10.26434/chemrxiv-2025-h4bgm

Posted

Feb 27, 2025

Colby S. Kayrouz, Jenna L. Manske, Martí Garçon, Isaac A. Joyner, Yuehan Wang, Yifei Ge, Alexandra E. Paton, Alison R. H. Narayan, John F. Hartwig

Site- and stereoselective enzymatic halogenation of terpenoids by substrate anchoring and protein engineering

10.26434/chemrxiv-2025-6x911

Posted

Feb 27, 2025

Guodu Liu, Xinlong Yan, Zongwei Li, Yanyan Guo, Tao Zhang, Lujie Ning, Cunxi Zhang, Longke Qiao, Zhonghe Cui, Xiangdong Zhang, Yu Feng, Yongmin Zhang

Scalable multigram practical total syntheses of amatoxins: amaninamide and α-amanitin for new antibody–drug conjugates

10.26434/chemrxiv-2025-klds2

Posted

Feb 27, 2025

Hyotaik Kang, Siting Ni, Inna Perepichka, R. Bruce Lennox, Chao-Jun Li

Conversion of Waste Polyolefins into Liquid Fuels via a Two-Step Thermal Oxidation and Photocatalytic Process

10.26434/chemrxiv-2025-f6hnk

Posted

Feb 27, 2025

Jean Marie Vianney Nsanzimana, Charles Otieno Ogolla, Nastaran Farahbakhsh, Yilmaz Sakalli, Marco Hepp, Jonas Frohne, Walter Sebastian Scheld, Manuela Sonja Killian, Benjamin Butz

Efficient Hydrogen Production on Crystalline-Amorphous Heterostructured Cobalt Boride-Phosphite Electrocatalyst

10.26434/chemrxiv-2025-9hfb5

Posted

Feb 27, 2025

Razan Daoud, Simone Veglianti, Anna Piras, Abderrahmane Semmeq, Samuele Giannini, Giacomo Prampolini, Daniele Padula

A set of Quantum–Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches

10.26434/chemrxiv-2025-chsf0-v2

Posted

Feb 27, 2025

Sakshi Mehta, Sujit Kamilya, Subrata Ghosh, Pierre Dechambenoit, Mathieu Rouzières, Corine Mathonière, Rodolphe Clérac, Abhishake Mondal

Photo-induced Metal-to-Metal Electron Transfer in a Cyanido bridged [FeCo] Chain: Role of Bridging Cyanide and Solvent

10.26434/chemrxiv-2025-vzqwj

Posted

Feb 27, 2025

Sukanya Bagchi, Sakshi Mehta, Sujit Kamilya, Mathieu Rouzières, Radovan Herchel, Mikhail Kiskin, Subrata Ghosh, Abhishake Mondal

Tuning Magnetic Anisotropy and Luminescence Thermometry in a Series of Dysprosium Complexes containing β-diimine Ligand

10.26434/chemrxiv-2025-tnhwp

Posted

Feb 27, 2025

Krishna Kaushik, Suprabha Pradhan, Sakshi Mehta, Sujit Kamilya, Rodrigue Lescouëzec, Pradip Kumar Mondal, Mathieu Rouzières, Jiri Pechousek, Yanling Li, Abhishake Mondal

A Light-controlled, Solvent-induced Spin-State Switching in a 3D Hexagonal Heterobimetallic Network

10.26434/chemrxiv-2025-q8wkl

Posted

Feb 27, 2025

Yiqi Zhu, Dingyuan Yan, Jun Zhu, Hongbo Xu, Weijie Zhang, Jianquan Hou, Dong Wang, Ben Zhong Tang

A near-infrared-II molecular probe for early diagnosis of acute kidney injury induced by diverse etiologies

10.26434/chemrxiv-2025-g6kg4

Posted

Feb 27, 2025

Olivia Westhead, Romain Tort, James O. Douglas, Michele Conroy, Bethan J. V. Davies, Anna Winiwarter, Aishah Faisal, Matthew Spry, Artem Khobnya, Mary P. Ryan, Maria-Magdalena Titirici, Rhodri Jervis, Ifan E. L. Stephens

The Role of Ethanol in Lithium-Mediated Nitrogen Reduction

10.26434/chemrxiv-2025-q3fjz-v2

Posted

Feb 27, 2025

Cheng-chau Chiu, Ming-Jia Chiu, Kwan Yin Cheung

A theoretical study on the strain energy change from polyarylated carbon nanorings to carbon nanobelts: a comparison with reported cases

10.26434/chemrxiv-2025-14nsz

Posted

Feb 27, 2025

EDGAR LÓPEZ LÓPEZ, José L. Medina-Franco

Metal-FP: A hybrid molecular fingerprint to encode metal-based approved drugs

10.26434/chemrxiv-2025-6zh2h

Posted

Feb 27, 2025

Iuliia Mandzhieva, Franziska Theiss, Xingtao He, Adam Ortmeier, Anuja Koirala, Stephen McBride, Stephen DeVience, Matthew Rosen, Volker Blum, Thomas Theis

Zero-field NMR and millitesla-SLIC spectra for > 200 molecules from density functional theory and spin dynamics

10.26434/chemrxiv-2025-fvm85-v2

Posted

Feb 27, 2025

Biswajit Dey, Subhajoy Sadhu, DEBLINA SAHA, Sai Jyoti Behera, Anupam Kundu, Ritu Ranjan Kumar, Suresh Kumar Yatirajula, Jnanendra Rath

Tetracarboxylic aromatic acid-based self-healing metallosupramolecular flexible nano-scaffold: Exploring rheological features, stimuli-responsiveness and anti-bacterial efficiency

10.26434/chemrxiv-2025-pqdvc

Posted

Feb 27, 2025

Nanna Lærke Baun, Sabina Svava Mortensen, Heloisa Bordallo, Kirsten Jensen, Adam Sapnik

Direct Synthesis of Amorphous Metal–Organic Frameworks from Nanoclusters

10.26434/chemrxiv-2025-psg4n

Posted

Feb 27, 2025

Gyeong-Hwan Kim, Mouhong Lin, Jeong-Wook Oh, Jae-Myoung Kim, Hohsuk Noh, Dongha Shin, Jung-Hoon Lee, Jwa-Min Nam

Nano-Fanowmen: Fano-Resonant Plasmonic Nanoparticles

10.26434/chemrxiv-2025-qfmvh

Posted

Feb 27, 2025

An Assessment of drying agents for use in desiccator for teachers, undergraduate and graduates

Marcus Herbig

10.26434/chemrxiv-2025-pcfbv

Posted

Feb 28, 2025

Benjamin M. Gross, Brian M. Stoltz

Protecting-group-free synthesis of Lycojapomine alkaloids enabled by radical dearomatization of a pyrrole

10.26434/chemrxiv-2025-d3n5f

Posted

Feb 28, 2025

Tim Kircher, Martin Votsmeier

Machine learning surrogate models for mechanistic kinetics: Embedding atom balance AND positivity

10.26434/chemrxiv-2025-6p1m2

Posted

Feb 28, 2025

Huifeng Wang, Mengqi Tang, Ali Abdelaal, Mohamed El Garah, Khouloud Jlassi, Aboubakr M. Abdullah, MOHAMED CHEHIMI

Appraisal of a Fistful of Methods for Producing Porous Biochar

10.26434/chemrxiv-2025-b4rbp

Posted

Feb 28, 2025

Marina Gerton, Marvin Altamia, Daniel Distel, Bailey Miller, Eric Schmidt

Production of high-value antibiotics by Teredinibacter turnerae using paper- and plant-based waste products

10.26434/chemrxiv-2025-pk16s

Posted

Feb 28, 2025

Noah B. Lewis, Joseph Kelly, Joel G. Gardner, Neil K. Razdan, Shane Ardo, Tom Markland, Yogesh Surendranath

Ion-Exchange-Mediated Pre-Association Gates Interfacial PCET

10.26434/chemrxiv-2024-8vb2n-v3

Posted

Feb 28, 2025

Sezin Galioglu, Mehdi Hagverdiyev, Meryem M. Doğan, Özgün Yavuz, Ghaith Makey, Ü. Seleme Nizam, Aladin Şura, Mesut Laçin, Burcu Akata Kurç, Parviz Elahi, F. Ömer Ilday, Serim Ilday

Ultrafast laser synthesis of zeolites

10.26434/chemrxiv-2025-7pbsd-v2

Posted

Feb 28, 2025

Anna Kotowska, Michael Fay, Julie Watts, Ian Gilmore, David Scurr, Alaina Howe, Vladimir Capka, Corey Perez, Devin Doud, Siddharth Patel, Mark Umbarger, Robert Langer, Morgan Alexander

Molecular orientation and stratification revealed in RNA-lipid nanoparticles using Cryogenic Orbitrap Secondary Ion Mass Spectrometry (Cryo-OrbiSIMS) depth profiling

10.26434/chemrxiv-2025-zxkf1-v3

Posted

Feb 28, 2025

Jose Ruiz, Dylan Turner, Mingchun Gao, Wentao Guo, Tania Shahvali, Emily Jimenez Andrade, Kevin Kong, Beck Miller, James Fettinger, Matthew Sigman, Dean Tantillo, Jared Shaw

Enantioselective Synthesis of Complex Carbocycles by Donor/Donor Carbenes C-H insertion

10.26434/chemrxiv-2025-b1fh6-v2

Posted

Feb 28, 2025

Mingrou Xie, Daniel Schwalbe-Koda, Yolanda M. Semanate-Esquivel, Estafanía Bello-Jurado, Alexander Hoffman, Omar Santiago-Reyes, Cecilia Paris, Manuel Moliner, Rafael Gómez-Bombarelli

An exhaustive mapping of zeolite-template chemical space

10.26434/chemrxiv-2024-d74sw-v2

Posted

Feb 28, 2025

Syed M. Q. Bokhari, Mecit A. Alioglu, Grace L. Voronin, Jeffrey M. Catchmark

Mechanical, Thermal, and Rheological Properties of Fish-Porcine Gelatin Microparticle Composites for Advanced 3D Biofabrication

10.26434/chemrxiv-2024-4n4jc-v2

Posted

Feb 28, 2025

Camilla Di Mino, Daniel T. Bowron, Thomas F. Headen, Michael A. Wilkinson, Tristan G. A. Youngs, Andrea Sella, Neal T. Skipper

π holes in water: Solvation of phenol, aniline, and p-nitrophenol substituted aromatics.

10.26434/chemrxiv-2025-gbmqn

Posted

Feb 28, 2025

Shivaprasad A. Balahoju, Nicholus Bhattacharjee, Luis Lezama, Xabier Lopez, Pablo Salcedo-Abraira, Antonio Rodríguez-Diéguez, DANIEL RETA

Radical Formation by Direct Single Electron Transfer between Nitrobenzene and Anionic Organo Bases

10.26434/chemrxiv-2025-8hnzz

Posted

Feb 28, 2025

Eric Koessler, Arkajit Mandal, Andrew Musser, Todd Krauss, Pengfei Huo

Polariton Mediated Electron Transfer under the Collective Molecule-Cavity Coupling Regime

10.26434/chemrxiv-2025-s1r54

Posted

Feb 28, 2025

Chengyu Zhou, Manish Kothakonda, Qing Zhao

Towards the Computational Design of Single Atom Alloys for Methane to Ethylene Conversion

10.26434/chemrxiv-2025-4t8fh

Posted

Feb 28, 2025

Dulce M. Sánchez-Cerrillo, Kouichi Shiraishi, Lucía Mallen-Huertas, Remi Peters, Daniela A. Wilson, Kevin Neumann

Introducing Ylides as Charge-Neutral Termini for Poly(Ethylene Glycol) with Applications in Nanomedicine

10.26434/chemrxiv-2025-q9s64

Posted

Feb 28, 2025

Jiahua Wang, Manzar Abbas, Yuening Qiu, Yao Zhao, Junyou Wang, Yuehua Li

Aromatic regions and Charges of amino acids Govern the Phase-separating Behavior of Dimeric Peptides

10.26434/chemrxiv-2025-smqxl

Posted

Feb 28, 2025

Laure de Thieulloy, Leonardo Evaristo de Sousa, Piotr de Silva

Enhancing Triplet Harvesting in Inverted Singlet-Triplet Gap Molecules through Mechanistic Understanding

10.26434/chemrxiv-2025-r09n8

Posted

Feb 28, 2025

Milan Bisai, Justyna Losiewicz, Gary Nichol, Andrew Dominey, Stephen Thomas, Michael Ingleson, Stuart Macgregor

Expanding metal catalyzed arene C–H borylation beyond boronate esters

10.26434/chemrxiv-2025-15v1c

Posted

Feb 28, 2025

José Luis Montaño-Priede, Anish Rao, Ana Sánchez-Iglesias, Marek Grzelczak

Accelerated Design of Gold Nanoparticles with Enhanced Plasmonic Performance

10.26434/chemrxiv-2025-fckd0

Posted

Feb 28, 2025

Huiping Wu, Pengyun Li Li, Ruirui GU, Chong Li, Rui Wang, Wei-Hong Zhu, He Tian, Jean-Marie Lehn, Ben L. Feringa, Da-Hui Qu

Light-Driven Constitutional Pump Powers Far-From-Equilibrium Dynamic-Covalent Behavior

10.26434/chemrxiv-2025-wjvld

Posted

Feb 28, 2025

Removal of Phenol derivatives from water systems with the use of silver nanoparticles

VARUN MALI

10.26434/chemrxiv-2025-gzq66

Posted

Feb 28, 2025

Ayane Sato, Takuya Kuwabara

Gram-scale Synthesis of Dibenzo[a,e]pentalenes from Trialkyl(phenylethynyl)silanes via Organosodium Intermediates

10.26434/chemrxiv-2025-8dmvw-v2

Posted

Feb 28, 2025

Jinmei Pan, Wei Liu, Jintao Zhu, Jiahan Zhou, Weilin Zhang, Haoyu Lin, Geng Dong, Lirui Lin, Youjun Xu, Jianfeng Pei

RefineScore: Improving Ligand Docking Accuracy and Interpretability by Predicting MDN Corrective Physical Interactions

10.26434/chemrxiv-2025-kbhfb-v2

Posted

Feb 28, 2025

Ziran Zhai, Thomas Holmark, Annika A. M. van der Zon, Andrea F.G. Gargano

Nanoflow Size Exclusion Chromatography – Native Mass Spectrometry of Intact Proteoforms and Protein Complexes

10.26434/chemrxiv-2024-587vq-v3

Posted

Feb 28, 2025

Rui Wang, Long Zhang, Sanzhong Luo

Innovative synergistic solvent-catalyst paradigm for sustainable allylic C–H functionalization

10.26434/chemrxiv-2025-18cp7

Posted

Feb 28, 2025

Abdeslam Aabidi El Moussati

The ABS Formula: A Deterministic Model for Predicting Prime Gaps

Posted

Feb 28, 2025

10.33774/coe-2025-8sbq7

Mutiara Irbah, Raphael Slade, Mark Howells, Neve Fields, Fernando Plazas-Niño, Emma Richardson

Enhancing Power System Flexibility and Renewable Energy Integration: An Integrated OSeMOSYS-FlexTool Modelling Study of Energy Storage in Indonesia’s Power Sector

Posted

Feb 28, 2025

10.33774/coe-2025-dh77k

Mutiara Irbah, Raphael Slade, Mark Howells, Neve Fields, Fernando Plazas-Niño, Emma Richardson

Empowering Indonesia’s Energy Transition Planning through Long-term Energy System Modelling: A Technoeconomic Dataset

Posted

Feb 28, 2025

10.33774/coe-2025-vf910

Kumbuso Joshua Nyoni, Albert Solà Vilalta, Anas Abuzayed, Albert Chitandula, Edna Kabala, Caesar Cheelo, Ruth L Maliye

Resilient Pathways for Zambia's Power System: Modelling a Low-Carbon Future Using the PyPSA-Earth-Zambia Framework

10.33774/coe-2025-krzs8-v2

Posted

Feb 28, 2025

Polynomial Equations of Bicomplex Numbers

JOGENDRA KUMAR

Posted

Feb 28, 2025

10.33774/coe-2025-skk37

Induced gravity in the space of momentum

Vitaly Kuyukov

Posted

Feb 28, 2025

10.33774/coe-2025-lff5q

Computer Science

Enhancing Transformer with GNN Structural Knowledge via Distillation: A Novel Approach

Zhihua Duan, Jialin Wang

Posted

Feb 28, 2025

10.33774/coe-2025-zm7ks

Annie Flint Smith, Kane Alexander, Mark Howells, Fernando Plazas-Niño

Assessing proposed decarbonisation strategies in the Lao PDR using open-source climate, land, energy and water systems (CLEWs) modelling