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Subject: Chemistry
,
Working Paper
, Title:

Investigating the Antiviral Therapeutic Potentialities of Marine Polycyclic Lamellarin Pyrrole Alkaloids as Promising Inhibitors for SARS-CoV-2 and Zika Main Proteases (Mpro)

, Authors: Florbela Pereira, Loay Bedda, Mohamed A. Tammam, Abdul Kader Alabdullah, Reem K. Arafa, Amr El-Demerdash
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-z0vw1
 
Subject: Chemistry
,
Working Paper
, Title:

Dephosphorization of Nitric Acid Solutions from the Leaching of Monazite Ferrous Ores under Hydrothermal Conditions

, Authors: Dmitry Kuzmin, Natalia Gudkova, Marina Leskiv, Anna Kuzmina, Vladimir Kuzmin
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-6whfn
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis, Properties, and Intermolecular Interactions in the Solid States of π-Congested X-Shaped 1,2,4,5-Tetra(9-anthryl)benzenes

, Authors: Tomohiko Nishiuchi, Shino Takeuchi, Yuta Makihara, Ryo Kimura, Shohei Saito, Hiroyasu Sato, Takashi Kubo
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-5fdnf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

psm_utils: A high level Python API for parsing and handling peptide-spectrum-matches and proteomics search results

, Authors: Ralf Gabriels, Arthur Declercq, Robbin Bouwmeester, Sven Degroeve, Lennart Martens
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-9506r
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Efficient Light Harvesting of Eu(III) Complex in a Host-Guest Film by Triplet Sensitization

, Authors: Shiori Miyazaki, Kenichi Goushi, Yuichi Kitagawa, Yasuchika Hasegawa, Chihaya Adachi, Kiyoshi Miyata, Ken Onda
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-qpcfh
 
Subject: Chemistry
,
Working Paper
, Title:

Gelation kinetics of thiol-methylsulfone (MS) hydrogel formulations for 3D cell culture

, Authors: Adrián de Miguel-Jiménez, Bastian Ebeling, Julieta I. Paez, Claudia Fink-Straube, Samuel Pearson, Aranzazu del Campo
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-svh1x
 
Subject: Chemistry
,
Working Paper
, Title:

Recharging Upconversion: Revealing Rubrene’s Replacement

, Authors: Colette Sullivan, Lea Nienhaus
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-f2r01
 
Subject: Chemistry
,
Working Paper
, Title:

Explaining molecular properties with natural language

, Authors: Heta A. Gandhi, Andrew D. White
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-v5p6m-v3
 
Subject: Chemistry
,
Working Paper
, Title:

LFQ-based peptide and protein intensity downstream analysis

, Authors: Mingze Bai, Jingwen Deng, Chengxin Dai, Julianus Pfeuffer, Yasset Perez-Riverol
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-x18d5
 
Subject: Chemistry
,
Working Paper
, Title:

A General Co-Catalytic Hydrothiolation of gem-Difluoroalkenes

, Authors: Jacob Sorrentino, Ryan Herrick, Mohammed Abd El-Gaber, Ahmed Abdelazem, Ankit Kumar, Ryan Altman
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-txxbr
 
Subject: Chemistry
,
Review
, Title:

Progress of electrochemical Synthesis of Nitric Acid: Catalyst Design-Mechanistic insights-Protocol-Challenges

, Authors: Ashadul Adalder, Sourav Paul, Uttam Kumar Ghorai
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-nglxd
 
Subject: Chemistry
,
Working Paper
, Title:

On-Demand Release of Secondary Amine Bases for the Activation of Catalysts and Crosslinkers

, Authors: Benjamin Spitzbarth, Rienk Eelkema
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-p43hn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Catalyst Synthesis Strategies to Prepare Atomically Dispersed Fe-N-C Heterogeneous Catalysts

, Authors: Jason Bates, Fatemeh Khamespanah, David Cullen, Abdulhadi Al-Omari, Melissa Hopkins, Jesse Martinez, Thatcher Root, Shannon Stahl
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-843k1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Homogenous Bismuth LMCT Photocatalysis

, Authors: Dominik Birnthaler, Rok Narobe, Eliseo Lopez Berguno, Christoph Haag, Burkhard Koenig
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-45m6f
 
Subject: Chemistry
,
Working Paper
, Title:

The potential energy minima of nH2O (n=4,8...,24) in relation to their hydrogen bond cycles

, Authors: Mihali Felipe
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-bzg9v
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical and Degradation Studies on One-Dimensional Tunneled Sodium Zirconogallate + Yttria-Stabilized Zirconia Composite, Mixed Sodium and Oxygen Ion Conductor

, Authors: POOYA ELAHI, Jude A. Horsley, Taylor D. Sparks
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-6c4p3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Magnetic Fields Enable Precise Spatial Control of Electrospun Fiber Alignment for Fabricating Complex Gradient Materials

, Authors: R. Kevin Tindell, Lincoln Busselle, Julianne Holloway
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-fvb7q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Platform for the Synthesis of Heparan Sulfate Oligosaccharide Libraries for Decoding Glycosaminoglycan-Protein Interactions

, Authors: Lei Wang, Bo-Shun Huang, Alexander Sorum, Mallory Kern, Guowei Su, Xuefei Huang, Jian Liu, Nicola Pohl, Linda Hsieh-Wilson
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-79tzx
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding Lithium-ion Dynamics in Single-ion and Salt-in-polymer Perfluoropolyethers and Polyethyleneglycol Electrolytes using Solid-state NMR

, Authors: Chibueze Amanchukwu, Anna Gunnarsdóttir, Snehashis Choudhury, Tamsin Newlove, Pieter Magusin, Zhenan Bao, Clare Grey
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-trln6
 
Subject: Chemistry
,
Working Paper
, Title:

Employing the suitable diazaborine chemistry in bioorthogonal applications

, Authors: Arnab Chowdhury, Saurav Chatterjee, Apoorv Kushwaha, Sidhanta Nanda, T. J. Dhilip Kumar, Anupam Bandyopadhyay
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-ssc5c
 
Subject: Chemistry
,
Working Paper
, Title:

N-Acryloylindole-alkyne (NAIA) enables profiling new ligandable hotspots in chemoproteomics experiments and imaging thiol oxidation

, Authors: Hinyuk Lai, Tin-Yan Koo, Daniel K. Nomura, Clive Yik-Sham CHUNG
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-khww5
 
Subject: Mathematics
,
Working Paper
, Title:

The Holy Grail of Mathematics

, Authors: Frank Vega
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.33774/coe-2022-tdbl5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Induced-volatolomics for the design of tumour activated therapy

, Authors: Pauline Poinot, Rémi Châtre, Estelle Blochouse, Fabiola Djago, Mehrad Tarighi, Brigitte Renoux, Julien Sobilo, Alain Le Pape, Jonathan Clarhaut, Isabelle Opalinski, Claude Geffroy, Wei Tuo, Sébastien Papot
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-4dp35
 
Subject: Mathematics
,
Working Paper
, Title:

The Root of a Binomial Coefficient is equal to the Sum of its Leaves

, Authors: Chinnaraji Annamalai
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.33774/coe-2022-hr86n-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Transfer of an Aluminium Atom: An Avenue to Aluminium Heterocycles

, Authors: Xin Zhang, Hongyu Wang, Xiaofang Lan, Yanbo Mei, David Ruiz, Liu Leo Liu
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-k2k13-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Origin of the volcano-like ethanol oxidative dehydrogenation activity trend for VOx/CeO2 catalysts uncovered by operando time-resolved XAS

, Authors: Olga V. Safonova, Anna Zabilska, Maxim Zabilskiy, Rob Jeremiah G. Nuguid, Adam H. Clark, Maarten Nachtegaal, Oliver Kröcher
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-3rw52
 
Subject: Chemistry
,
Working Paper
, Title:

Size dependence of electronic spectrum for H-capped carbon chains, H-(C≡C)n-H: Analysis of its nature and prediction for carbyne

, Authors: Jiaojiao Wang, Zeyu Liu, Qing Zhou, Tian Lu, Xia Wang, Xiufen Yan, Mengdi Zhao, Aihua Yuan
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-wrhct
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Leadership Transitions and Rebel Group Violence: Evidence from Syria

, Authors: Joshua Fawcett Weiner
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.33774/apsa-2022-v1fk4
 
Subject: Chemistry
,
Working Paper
, Title:

oxSTEF reagents are tunable and versatile electrophiles for selective disulfide-rebridging of native proteins

, Authors: Marija Nisavic, Gustav Wørmer, Cecilie Nielsen, Sofie Jeppesen, Johan Palmfeldt, Thomas Poulsen
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-7pkxq
 
Subject: Chemistry
,
Working Paper
, Title:

Phosphorus(V) Fluoride Exchange (PFEx): Multidimensional Click Chemistry from Phosphorus(V) Connective Hubs

, Authors: Shoujun Sun, Christopher J. Smedley, Joshua A. Homer, Qing-Qing Cheng, K. Barry Sharpless, John E. Moses
Version undefined posted 03 October 2022
Posted
Oct 03, 2022
10.26434/chemrxiv-2022-nc91f
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Communicating Climate Risk: A Toolkit

, Authors: Jo Lindsay Walton, Polina Levontin, Martine J. Barons, Mark Workman, Erik Mackie, Jana Kleineberg
Version undefined posted 04 October 2022
Posted
Oct 04, 2022
10.33774/coe-2021-mrx1f-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Ultra-high areal capacity Li electrodeposition at metal-solid electrolyte interfaces under minimal stack pressures enabled by interfacial Na-K liquids

, Authors: Richard Park, Cole Fincher, Andres Badel, W. Craig Carter, Yet-Ming Chiang
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-93lw0
 
Subject: Chemistry
,
Working Paper
, Title:

Cobalt(II) Alginate as a Precursor for Green Synthesis of Cobalt Oxide Nanoparticles

, Authors: Burcu Orhan, Titilayomi Roseline Adetoro, Hakan Kaygusuz
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-x8k4d
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a manufacturing process toward the convergent synthesis of the COVID-19 antiviral Ensitrelvir

, Authors: Takahiro Kawajiri, Akihito Kijima, Atsuhiro Iimuro, Eisaku Ohashi, Katsuya Yamakawa, Kazushi Agura, Kengo Masuda, Kensuke Kouki, Koji Kasamatsu, Shuichi Yanagisawa, Sho Nakashima, Setsuya Shibahara, Takashi Toyota, Takafumi Higuchi, Takahiro Suto, Tadashi Oohara, Toshikatsu Maki, Naoto Sahara, Nobuaki Fukui, Hisayuki Wakamori, Hidaka Ikemoto, Hiroaki Murakami, Hiroyasu Ando, Masahiro Hosoya, Mizuki Sato, Yusuke Suzuki, Yuta Nakagawa, Yuto Unoh, Yoichi Hirano, Yoshitomo Nagasawa, Satoshi Goda, Takafumi Ohara, Takayuki Tsuritani
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-wx3nl
 
Subject: Chemistry
,
Working Paper
, Title:

Switchable Decarboxylation by Energy- or Electron-Transfer Photocatalysis

, Authors: Yota Sakakibara, Kenichiro Itami, Kei Murakami
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-drf9p
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Trifluoromethyl Substituted Triphyrin, its Selective Reduction to Triphachlorin, and Stable Isomeric Triphabacteriochlorins via Direct De-trifluoromethylation

, Authors: Ishfaq Bhat, Pradeepta Panda
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-8lnsj
 
Subject: Chemistry
,
Working Paper
, Title:

The conformational behavior and structure of monosubstituted 1,3,5-trisilacyclohexanes. Part III: 1-Methyl-1,3,5-trisilacyclohexane

, Authors: Liubov Kuzmina, Ingvar Arnason, Nanna Jonsdottir, Sergey Shlykov
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-r3v13
 
Subject: Chemistry
,
Working Paper
, Title:

A microfluidic platform for the controlled synthesis of higher-order liquid crystalline nanoparticles

, Authors: Colin P Pilkington, Claudia Contini, Joseph D Barritt, Paul A Simpson, John M Seddon, Yuval Elani
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-xwq9n-v2
 
Subject: Chemistry
,
Working Paper
, Title:

"Contacted" vs "separated" aluminyls: Dynamic alkali metal effects in H2 activation

, Authors: Hellen Videa, Antonio J. Martinez-Martinez
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-wjs4l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Low-toxicity Chemical Solution Deposition of Ferroelectric Ca:HfO2

, Authors: Miguel Badillo, Sepide Taleb, Taraneh Mokabber, Jan Rieck, Rebeca Castanedo-Perez, Gerardo Torres-Delgado, Beatriz Noheda, Monica Acuautla
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-tf4jh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Models to Accelerate the Design of Polymeric Long-Acting Injectables

, Authors: Pauric Bannigan, Zeqing Bao, Riley Hickman, Matteo Aldeghi, Florian Häse, Alán Aspuru-Guzik, Christine Allen
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2021-mxrxw-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Enzyme-mediated proximity labeling for enrichment of DNA-linked ligands from DNA-encoded libraries

, Authors: Bo Cai, Amol Mhetre, Casey Krusemark
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-l097f
 
Subject: Chemistry
,
Working Paper
, Title:

Rheological and shipbuilding steel adhesion properties of antifouling AquaSun coating

, Authors: Cristina Scolaro, Silvia Sfameni, Mario Pagliaro, Rosaria Ciriminna, Annamaria Visco
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-8w1wv
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Detection of Hydrogen Bonds in Supramolecular Systems Using 1H-15N HMQC

, Authors: Michael Jinks, Mark Howard, Federica Rizzi, Stephen Goldup, Andrew Burnett, Wilson Andrew
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-8z7rv
 
Subject: Chemistry
,
Working Paper
, Title:

Polyethylene glycol-b-polylactic acid polymersome elongation through osmotic pressure mediated membrane tension and fusion

, Authors: Owen Tabah, Christopher Pierce, Jessica Larsen
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-2c8c2
 
Subject: Chemistry
,
Working Paper
, Title:

X-ray Emission Spectroscopy of Single Protein Crystals Yields Insights into Heme Enzyme Intermediates

, Authors: Sahand Emamian, Kendra A. Ireland, Vatsal Purohit, Kirklin L. McWhorter, Olga Maximova, Winter Allen, Scott Jensen, Diego Casa, Yulia Pushkar, Katherine Davis
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-lsmh9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

ChemSpacE: Interpretable and Interactive Chemical Space Exploration

, Authors: Yuanqi Du, Xian Liu, Nilay Shah, Shengchao Liu, Jieyu Zhang, Bolei Zhou
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-x49mh-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Dithioacetal Polymers Capable of Chemical Recycling to Macrocyclic Monomers and Formation of Vitrimers

, Authors: Lasith S. Kariyawasam, Julian Rolsma, Ying Yang
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-jbml6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Stacked Antiaromaticity in the π-Congested Space Between the Aromatic Rings in the Anthracene Dimer

, Authors: Tomohiko Nishiuchi, Yuta Makihara, Ryohei Kishi, Hiroyasu Sato, Takashi Kubo
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-s8hz2-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Ensemble Simulations of 2-Hydroxypropyl-β-cyclodextrin Complexes with All-Atom Molecular Dynamics Simulations

, Authors: Jeppe Tværmose Munk, Simon Nygaard-Thomsen, Thorleif Riis Bay Stokholm, Mads Rosander Langhorn, Casper Steinmann
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-d3m6p-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Biological studies with comprehensive GCxGC-HRMS screening: Exploring the human sweat volatilome

, Authors: Matyas Ripszam, Tobias Bruderer, Denise Biagini, Silvia Ghimenti, Tommaso Lomonaco, Fabio Di Francesco
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-wjw9j
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of Structure, Ionic Conductivity and Electrochemical Stability of Halogen-substitution in solid-state ion conductor Li3YBrxCl6-x

, Authors: Eveline van der Maas, Wenxuan Zhao, Zhu Zheng, Theodosios Famprikis, Michel Thijs, Steven Parnell, Swapna Ganapathy, Marnix Wagemaker
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-dhvjf
 
Subject: Chemistry
,
Working Paper
, Title:

The Trans-Proteomic Pipeline: Robust Mass Spectrometry-based Proteomics Data Analysis Suite

, Authors: Eric Deutsch, Luis Mendoza, David Shteynberg, Michael Hoopmann, Zhi Sun, Jimmy Eng, Robert Moritz
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-3c75n
 
Subject: Chemistry
,
Working Paper
, Title:

Design of Class I/IV Bromodomain-Targeting Degraders for Chromatin Remodeling Complexes

, Authors: Huda Zahid, Jeff Costello, Jennifer Kimbrough, Marisa Actis, Zoran Rankovic, William Pomerantz
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-41npn
 
Subject: Chemistry
,
Working Paper
, Title:

Near-Atomic Resolution Structure of J-aggregated Helical Light Harvesting Nanotubes

, Authors: Arundhati Deshmukh, Weili Zheng, Chern Chuang, Austin Bailey, Jillian Williams, Ellen Sletten, Edward Egelman, Justin Caram
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-5m8sx
 
Subject: Chemistry
,
Working Paper
, Title:

The effect of pulling and twisting forces on chameleon sequence peptides

, Authors: James Meadows, Konstantin Röder
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-pr7wg
 
Subject: Chemistry
,
Working Paper
, Title:

Ions Salting Out Ions at the Water-Air Interface

, Authors: Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Xiaoqing Yu, Mischa Bonn, Yuki Nagata
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-l66wp
 
Subject: Chemistry
,
Working Paper
, Title:

Antiaromatic Covalent Organic Frameworks Based on Dibenzopentalenes

, Authors: Josefine Sprachmann, Tommy Wachsmuth, Manik Bhosale, David Burmeister, Glen Jacob Smales, Zdravko Kochovski, Niklas Grabicki, Birgit Esser, Oliver Dumele
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-p0pjr
 
Subject: Chemistry
,
Working Paper
, Title:

Optical Chemical Sensors for Soil Analysis: Possibilities and Challenges of Visualizing NH3 Concentrations as well as pH and O2 Microscale Heterogeneity

, Authors: Theresa Merl, Yihuai Hu, Johanna Pedersen, Silvia E. Zieger, Marie Louise Bornø, Azeem Tariq, Sven Gjedde Sommer, Klaus Koren
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-2zx46
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalytic Deoxygenative Alkylation of C(sp3)−H Bonds Using Sulfonylhydrazones

, Authors: Antonio Pulcinella, Stefano Bonciolini, Florian Lukas, Andrea Sorato, Timothy Noel
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-h91bz
 
Subject: Chemistry
,
Working Paper
, Title:

ProteomicsML: An Online Platform for Community-Curated Datasets and Tutorials for Machine Learning in Proteomics

, Authors: Tobias Rehfeldt, Ralf Gabriels, Robbin Bouwmeester, Siegfried Gessulat, Benjamin Neely, Magnus Palmblad, Yasset Perez-Riverol, Tobias Schmidt, Juan Antonio Vizcaíno, Eric Deutsch
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-2s6kx
 
Subject: Chemistry
,
Working Paper
, Title:

Plasma-Enhanced Molecular Layer Deposition of Phosphane-ene Polymer Films

, Authors: Justin Lomax, Eden Goodwin, Peter Gordon, Christine McGuiness, Floryan Decampo, Sean Barry, Paul Ragogna
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-20mll
 
Subject: Chemistry
,
Working Paper
, Title:

The Single Component Flavin Reductase/Flavin Dependent Halogenase AetF is a Versatile Catalyst for Selective Bromination and Iodination of Arenes and Olefins

, Authors: Yuhua Jiang, Harrison M. Snodgrass, Yasmine S. Zubi, Caitlin V. Roof, Yanfei Guan, Dibyendu Mondal, Nicholas H. Honeycutt, Johnny W. Lee, Russell D. Lewis, Carlos Martinez, Jared C. Lewis
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-88xzv
 
Subject: Chemistry
,
Working Paper
, Title:

Electrokinetic Enrichment and Label-Free Electrochemical Detection of Nucleic Acids by Conduction of Ions Along the Surface of Bioconjugated Beads for Point-of-Care Testing

, Authors: Beatrise Berzina, Umesha Peramune, Echo Claus, Sungu Kim, Kumar Saurabh, Madison Strait, Baskar Ganapathysubramanian, Robbyn Anand
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-n3qsl
 
Subject: Chemistry
,
Working Paper
, Title:

Effects of Poly(3-hexylthiophene) Molecular Weight and the Aging of Spinning Solution on the Electrospun Fiber Properties

, Authors: Humayun Ahmad, Song Zhang, Chih-Ting Liu, Guorong Ma, Jason Azoulay, Xiaodan Gu, Mahesh Gangishetty, Santanu Kundu
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-fp6lg
 
Subject: Chemistry
,
Working Paper
, Title:

Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimisation

, Authors: Vladimir Kondratyev, Marian Dryzhakov, Timur Gimadiev, Dmitriy Slutskiy
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-z1l07
 
Subject: Chemistry
,
Working Paper
, Title:

Flexible Screen-printed MWCNT-based Electrodes

, Authors: Mustafa Şen
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-mmd56
 
Subject: Chemistry
,
Review
, Title:

Electrochemical Carbon Dioxide Capture and Concentration

, Authors: Alessandra Zito, Lauren Clarke, Jeffrey Barlow, Daniel Bim, Zisheng Zhang, Katelyn Ripley, Clarabella Li, Amanda Kummeth, McLain Leonard, Anastassia Alexandrova, Fikile Brushett, Jenny Yang
Version undefined posted 05 October 2022
Posted
Oct 05, 2022
10.26434/chemrxiv-2022-b8j51
 
Subject: Chemistry
,
Working Paper
, Title:

Iteroselectivity, the missing sibling of chemo-, regio- and stereoselectivities

, Authors: Roy Lavendomme, Ivan Jabin
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-qhzrp-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of pyrrothiamine, a novel thiamine analogue, and evaluation of derivatives as potent and selective inhibitors of pyruvate dehydrogenase

, Authors: Alex H. Y. Chan, Terence C. S. Ho, Kwasi Agyei-Owusu, Finian James Leeper
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-43vvb
 
Subject: Chemistry
,
Working Paper
, Title:

SolvBERT for solvation free energy and solubility prediction: a demonstration of an NLP model for predicting the properties of molecular complexes

, Authors: Jiahui Yu, Chengwei Zhang, Yingying Cheng, Yun-Fang Yang, Yuan-Bin She, Fengfan Liu, Weike Su, An Su
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-0hl5p-v3
 
Subject: Chemistry
,
Review
, Title:

Teaching FAIR in Computational Chemistry: Managing and publishing data using the twin tools of Compute Portals and Repositories.

, Authors: Henry Rzepa
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-mhs5z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Surface Sites and Ligation of Amine-capped CdSe Nanocrystals

, Authors: Weicheng Cao, Alexander Yakimov, Xudong Qian, Jiongzhao Li, Xiaogang Peng, Xueqian Kong, Christophe Copéret
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-d0s34
 
Subject: Chemistry
,
Working Paper
, Title:

Operando characterization and theoretical modelling of metal|electrolyte interphase growth kinetics in solid-state-batteries - Part II: Modelling

, Authors: Nicholas J. Williams, Edouard Quérel, Ieuan D. Seymour, Stephen Skinner, Ainara Aguadero
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-hd73j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Operando characterization and theoretical modelling of metal|electrolyte interphase growth kinetics in solid-state-batteries - Part I: experiments

, Authors: Edouard Quérel, Nicholas J. Williams, Ieuan D. Seymour, Stephen J. Skinner, Ainara Aguadero
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-jpnxq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Effects of Intramolecular Group and Solvent on Vibrational Coupling Modes and Strengths of Fermi Resonances in Aryl Azides: A DFT Study of 4-Azidotolune and 4-Azido-N-Phenylmaleimide

, Authors: Sathya Perera, Tenyu Aikawa, Sarah Shaner, Sean Moran, Lichang Wang
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-gd3mk
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation and Characterization of Flexible Polyurethane Foams from the use of Chicken Eggshells as Fillers.

, Authors: Precious Ebereonwu, Dayil Dashak, Chris Ogah
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-mkc4d
 
Subject: Chemistry
,
Working Paper
, Title:

Identifying chemistry students’ baseline systems thinking skills when constructing systems for a topic on climate change

, Authors: Alisha R. Szozda, Peter G. Mahaffy, Alison B. Flynn
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-0g9k0
 
Subject: Chemistry
,
Working Paper
, Title:

Isocyanide Chemistry Enabled by Continuous Flow Technology

, Authors: Bruno Cerra, Cecile Blondeau, Rolando Cannalire, Mariateresa Giustignano, Shiva Shandiz, Antimo Gioiello
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-3gvmg
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanism of Pd/Senphos-Catalyzed trans-Hydroboration of 1,3-Enynes: Experimental and Computational Evidence in Support of the Unusual Outer-Sphere Oxidative Addition Pathway

, Authors: Yuanzhe Zhang, Ziyong Wang, Walid Lamine, Senmiao Xu, Bo Li, Anna Chrostowska, Karinne Miqueu, Shih-Yuan Liu
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-cmzdf
 
Subject: Chemistry
,
Working Paper
, Title:

Fast Evaluation of the Adsorption Energy of Organic Molecules on Metals via Graph Neural Networks

, Authors: Sergio Pablo-García, Santiago Morandi, Rodrigo Alejandro Vargas-Hernández, Kjell Jorner, Núria López, Alán Aspuru-Guzik
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-m719x
 
Subject: Chemistry
,
Working Paper
, Title:

Frontal Polymerizations: From Chemical Perspectives to Macroscopic Properties and Applications

, Authors: Benjamin Suslick, Julie Hemmer, Brecklyn Groce, Katherine Stawiasz, Philippe Geubelle, Giulio Malucelli, Alberto Mariani, Jeffrey Moore, John Pojman, Nancy Sottos
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-f4k95
 
Subject: Chemistry
,
Working Paper
, Title:

Translating Aqueous CO2 Hydrogenation Activity to Electrocatalytic Reduction with a Homogeneous Cobalt Catalyst

, Authors: Xinran Wang, Jenny Yang
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-9d3z8
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Assembly of Ferrocenes with Axial and Planar Chiralities via Palladium/Chiral Norbornene Cooperative Catalysis

, Authors: Jinxiang Ye, Lisha Li, Yiming You, Chengkang Jiao, Ziyang Cui, Yabin Zhang, Shihu Jia, Hengjiang Cong, Shanshan Liu, Hong-Gang Cheng, Qianghui Zhou
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-9vqw5
 
Subject: Chemistry
,
Working Paper
, Title:

Complexation-Induced N‒P Axial Chirality in Sm(II) N-Phosphine-Oxide-Substituted Imidazolylidene and Imidazolinylidene Complexes

, Authors: Yoichi Hoshimoto, Yasuhiro Yamauchi, Tomoya Terada, Sensuke Ogoshi
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-rf1wd
 
Subject: Chemistry
,
Working Paper
, Title:

Novel ultrahard sp2/sp3 hybrid carbon allotrope from crystal chemistry and first principles: body-centered tetragonal C6 ('neoglitter')

, Authors: Samir F. Matar, Vladimir L. Solozhenko
Version undefined posted 06 October 2022
Posted
Oct 06, 2022
10.26434/chemrxiv-2022-3d8pk
 
Subject: Chemistry
,
Working Paper
, Title:

Pseudo-irreversible butyrylcholinesterase inhibitors: structure–activity relationships, and kinetic, computational, and crystallographic study of the N-dialkyl O-arylcarbamate warhead

, Authors: Anže Meden, Damijan Knez, Xavier Brazzolotto, Fabrice Modeste, Andrej Perdih, Anja Pišlar, Maša Zorman, Milica Denic, Stane Pajk, Florian Nachon, Stanislav Gobec
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-msbb4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Variable Kinetic Isotope Effect Reveals Multi-step Pathway for Protonolysis of a Pt–Me Bond

, Authors: Irving Rettig, Jingtong Xu, Elizabeth Knight, Phan Truong, Miriam Bowring
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-xvp7l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Lenalidomide stabilizes protein-protein complexes by turning labile intermolecular H-bonds into robust interactions

, Authors: Marina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, Xavier Barril, Jordi Juárez-Jiménez
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-3kpgm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Are the chemical families still there? exploration of similarity among elements

, Authors: Eugenio Llanos Ballestas, Wilmer Leal, Andrés Bernal, Jürgen Jost, Peter F. Stadler
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-7b6hv
 
Subject: Chemistry
,
Working Paper
, Title:

Iron-Catalyzed C(sp2)-C(sp3) Suzuki Cross-Coupling Using an Alkoxide Base

, Authors: Paul O. Peterson, Matthew V. Joannou, Eric M. Simmons, Steven R. Wisniewski, Junho Kim, Paul J. Chirik
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-vgq93
 
Subject: Computer Science
,
Working Paper
, Title:

An Optimization of Machine Learning Approaches in the Forecasting of Global Financial Stability

, Authors: Adyant Ranjan
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.33774/coe-2022-6xk2w
 
Subject: Chemistry
,
Working Paper
, Title:

The Competition between Hydrogen, Halogen, and Covalent Bonding in Atmospherically Relevant Ammonium Iodate Clusters

, Authors: Nicoline Frederiks, Danika Heaney, John Kreinbihl, Christopher Johnson
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-nc53d
 
Subject: Chemistry
,
Review
, Title:

Spatiotemporal control for integrated catalysis

, Authors: Shijie Deng, Brandon Jolly, James Wilkes, Yu Mu, Jeffery Byers, Loi Do, Alexander Miller, Dunwei Wang, Paula Diaconescu
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-tpnhs
 
Subject: Chemistry
,
Working Paper
, Title:

App-Free Method for Visualization of Polymers in 3D and Augmented Reality

, Authors: Hootan Roshandel, Matthew Shammami, Shiyun Lin, Yin-Pok Wong, Paula Diaconescu
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-0rszc
 
Subject: Chemistry
,
Working Paper
, Title:

The Shape of Water – how cluster formation provides a unifying explanation of water’s anomalous properties

, Authors: Martin Andersson
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-q5hf7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrodimerization of Unactivated α-Alkenes to Forge C(sp3)‒C(sp3) Bonds

, Authors: Li Cheng, Jiandong Liu, Yunrong Chen, Hegui Gong
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-fk48z
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand-directed Photocatalysts and Far-red Light Enable Catalytic Bioorthogonal Uncaging inside Live Cells

, Authors: Julia Rosenberger, Yixin Xie, Yinzhi Fang, Xinyi Lyu, William Trout, Olga Dmitrenko, Joseph Fox
Version undefined posted 07 October 2022
Posted
Oct 07, 2022
10.26434/chemrxiv-2022-2j3xp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Quantification of gas-accessible microporosity in metal-organic framework glasses

, Authors: Louis Frentzel-Beyme, Pascal Kolodzeiski, Jan-Benedikt Weiß, Andreas Schneemann, Sebastian Henke
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2021-lq308-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Performance evaluation of flexible macrocycle docking in AutoDock

, Authors: Matthew Holcomb, Diogo Santos-Martins, Andreas Tillack, Stefano Forli
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-txdt0
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Optimization under Dynamic Flow Conditions

, Authors: Jonathan McMullen, Brian Wyvratt
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-5b8rk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Constructive Ozonolysis: Capturing Primary Ozonides

, Authors: Danniel Arriaga, Andy Thomas
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-hs9lp
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational Selection of a Tryptophan Side Chain Drives the Generalized Increase in Activity of PET Hydrolases Through a Ser/Ile Double Mutation

, Authors: Alessandro Crnjar, Aransa Griñen, Shina Caroline Lynn Kamerlin, César Ramírez-Sarmiento
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-gx4xc
 
Subject: Chemistry
,
Working Paper
, Title:

Long term phase separation dynamics in liquid crystal-enriched microdroplets obtained from binary fluid mixtures

, Authors: Mehzabin Patel, Seishi Shimizu, Martin Bates, Alberto Fernandez-Nieves, Stefan Guldin
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-pc12b
 
Subject: Chemistry
,
Working Paper
, Title:

Predictions of the poses and affinity of a ligand over the entire surface of a NEET protein: the case of human mitoNEET

, Authors: Ke Zuo, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-jv228
 
Subject: Chemistry
,
Working Paper
, Title:

Reactive Chlorine Capture by Dichlorination of Alkene Linkers in Metal–Organic Frameworks

, Authors: Tyler Azbell, Ruth Mandel, Jung-Hoon Lee, Phillip Milner
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-hdx1f
 
Subject: Chemistry
,
Working Paper
, Title:

Quantifying Vertical Resonance Energy in Aromatic Systems with Natural Bond Orbitals

, Authors: Karnjit Parmar, Michel Gravel
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-z1bt9
 
Subject: Chemistry
,
Working Paper
, Title:

On the rational design of mesoporous silica humidity sensors

, Authors: Máté Füredi, Alberto Alvarez-Fernandez, Maximiliano Jara Fornerod, Bálint Fodor, Stefan Guldin
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-60dt1
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning prediction of open metal sites in metal-organic framework catalysts

, Authors: Huixuan Guo, Jiahao Ma, Yueshan Zhong, Yuhui Yin, Mingcan Chen
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-8c7kn
 
Subject: Chemistry
,
Review
, Title:

Journey of plants natural products from plants to bioactive products

, Authors: Anmol -, Gaurav Aggarwal, Mehak Sharma, Raman Singh, Shivani -, Upendra Sharma
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-p60cn
 
Subject: Chemistry
,
Working Paper
, Title:

Orbiting self-organization of filament-tethered surface-active droplets

, Authors: Mitch Winkens, Alexandru Vilcan, Pieter J. de Visser, Freek V. de Graaf, Peter A. Korevaar
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-hx70m
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Dynamic Spectral Diffusion in Metal-Organic Frameworks Through Defect Engineering

, Authors: Arjun Halder, David Bain, Julia Oktawiec, Matthew Addicoat, Stavrini Tsangari, Jose Fuentes-Rivera, Tristan Pitt, Andrew Musser, Phillip Milner
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-fldj9
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing ternary materials for fluoride-ion batteries

, Authors: Don McTaggart, Jack Sundberg, Lauren McRae, Scott Warren
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.26434/chemrxiv-2022-bhcf0
 
Subject: Computer Science
,
Working Paper
, Title:

Using the PageRank Algorithm to Rank Football Players in a Game

, Authors: Aditya Iyer
Version undefined posted 10 October 2022
Posted
Oct 10, 2022
10.33774/coe-2022-86jt3
 
Subject: Chemistry
,
Working Paper
, Title:

Polymer Relaxation Time Enhancement at Temperatures above Glass Transition Temperatures Predicted by Idealized Mode-Coupling Theory

, Authors: Mitsuru Ishikawa, Keita Matsumoto, Tomoya Yamazaki, Risa Fukase, Yutaka Ichikawa, Takayuki Uwada
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-fr63d-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the kinetics and thermodynamics of association-dissociation of an amyloid fibril

, Authors: Nabodita Sinha, Ashwani Thakur
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-7mb58
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling the Hydrophilicity of the Electrochemical Interface to Modulate the Oxygen-Atom Transfer in Electrocatalytic Epoxidation Reactions

, Authors: Florian Dorchies, Alessandra Serva, Dorian Crevel, Jérémy De Freitas, Nikolaos Kostopoulos, Marc Robert, Ozlem Sel, Mathieu Salanne, Alexis Grimaud
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-wjsbs-v2
 
Subject: Chemistry
,
Review
, Title:

The critical role that spectral libraries play in capturing the metabolomics community knowledge

, Authors: Wout Bittremieux, Mingxun Wang, Pieter C. Dorrestein
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-hjtt2
 
Subject: Chemistry
,
Working Paper
, Title:

Design, synthesis and evaluation in enantioselective catalysis of diverse adjustable axially chiral biphenyl ligands and catalysts

, Authors: Jiyang Jie, Haijun Yang, Yufen Zhao, Hua Fu
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-mrz8m
 
Subject: Chemistry
,
Working Paper
, Title:

Toward high-performance stereo- and sequence-defined block copolymers via site-monomer specific recognition of chiral three-site organocatalyst

, Authors: Xiaowei Geng, Ziheng Liu, Chengjian Zhang, Xing-Hong Zhang
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-xghzl
 
Subject: Chemistry
,
Working Paper
, Title:

Unravelling the mechanisms of small molecules partitioning phenomena in micellar systems via multifrequency-STD NMR NMR spectroscopy

, Authors: Katarzyna Malec, Serena Monaco, Ignacio Delso, Justyna Nestorowicz, Marta Kozakiewicz-Latała, Bozena Karolewicz, Yaroslav Khimyak, Jesús Angulo, Karol Nartowski
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-7njjp
 
Subject: Chemistry
,
Working Paper
, Title:

beta-Lactamases evolve against antibiotics by acquiring large active-site electric fields

, Authors: Zhe Ji, Steven Boxer
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-6sbvm
 
Subject: Chemistry
,
Working Paper
, Title:

Metal surfaces catalyze polarization-dependent hydride transfer from H2

, Authors: Hai-Xu Wang, Wei Lun Toh, Bryan Y. Tang, Yogesh Surendranath
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-rc0gg
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Suzuki–Miyaura Coupling of Naphthalene-1,8-diaminato (dan)-Substituted Cyclopropylboron Compounds

, Authors: Mikinao Koishi, Kazuki Tomota, Masaaki Nakamoto, Hiroto Yoshida
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-znpz2
 
Subject: Chemistry
,
Working Paper
, Title:

Regular Solution Theory for Nonlinear Composition Dependency of Enantioselectivity by Mixed Micelle

, Authors: Nozomu Suzuki
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-6ppkj-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Alkyl Formates as Transfer Hydroalkylation Reagents and Their Use in the Conversion of Imines to Alkylamines

, Authors: Etienne Crochet, Lucile Anthore-Dalion, Thibault Cantat
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-c497b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Predictive Modeling of PROTAC Cell Permeability with Machine Learning

, Authors: Vasanthanathan Poongavanam, Florian Kölling, Anja Giese, Andreas H Göller, Lutz Lehmann, Daniel Meibom, Jan Kihlberg
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-jmx90
 
Subject: Chemistry
,
Working Paper
, Title:

Conceptual Density Functional Theory for Temporary Anions Stabilized by Scaled Nuclear Charges

, Authors: Charlotte Titeca, Frank De Proft, Thomas-Christian Jagau
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-8vc4m
 
Subject: Chemistry
,
Working Paper
, Title:

TEtraQuinolines (TEQs): A missing link in the family of porphyrinoid macrocycles

, Authors: Naoya Kumagai, Wei Xu, Yuuya Nagata
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-6v05x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation

, Authors: Gemma Fisher, Marina Corbella, Magnus S. Alphey, John Nicholson, Benjamin J. Read, Shina C. L. Kamerlin, Rafael G. da Silva
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-shhck-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of macrocyclic peptides which allosterically activate bacterial cylindrical proteases

, Authors: Raoul Walther, Linda M. Westermann, Sophie E. Jackson, Heike Brötz-Oesterhelt, David R. Spring
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-hqv53
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Deep Learning for Metalloporphyrins: Databases, Molecular Representations, and Model Architectures

, Authors: An Su, Chengwei Zhang, Yuanbin She, Yun-Fang Yang
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-sq6dg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanics of lithium metal at the nanoscale

, Authors: Jack Aspinall, David Armstrong, Mauro Pasta
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-drhkn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning the Spin-Crossover Properties of FeII4L6 Cages via Ligand Modifications in the First and Second Coordination Spheres

, Authors: Tobias Paschelke, Eicke Trumpf, David Grantz, Malte Pankau, Niclas Grocholski, Christian Näther, Frank Sönnichsen, Anna McConnell
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-xcvxb
 
Subject: Chemistry
,
Working Paper
, Title:

In-situ analysis of corrosion products in molten salt: concurrent X-ray absorption and electrochemistry reveal both ionic and metallic species

, Authors: Sean Fayfar, Guiqiu Zheng, Dave Sprouster, Matthew Marshall, Eli Stavitski, Denis Leshchev, Boris Khaykovich
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-3nspm
 
Subject: Chemistry
,
Working Paper
, Title:

Si–containing Carbon Composite Pillars Developed via Light–Induced Self–Writing

, Authors: Shreyas Pathreeker, Ian D. Hosein
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-pxr96
 
Subject: Chemistry
,
Review
, Title:

The art of compartment design for organometallic catalysis

, Authors: Ashton Davis, Chong Liu, Paula Diaconescu
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-ng4g9
 
Subject: Chemistry
,
Working Paper
, Title:

Evidence for water antibonding orbital mixing in the hydrated electron from its oxygen 1s X-ray absorption spectrum

, Authors: Xingpin Li, Xiangyu Jia, Amiel Paz, Yuquan Cao, William Glover
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-qmhlj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Room-Temperature Phosphorescence of Covalent Organic Frameworks through Covalent Halogen Doping

, Authors: Ehsan Hamzehpoor, Cory Ruchlin, Yuze Tao, Cheng-Hao Liu, Hatem M. Titi, Dmytro F. Perepichka
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-sdl6g
 
Subject: Chemistry
,
Working Paper
, Title:

A Syn Outer-Sphere Oxidative Addition: The Reaction Mechanism in Pd/Senphos-Catalyzed Carboboration of 1,3-Enynes

, Authors: Ziyong Wang, Walid Lamine, Karinne Miqueu, Shih-Yuan Liu
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-g3qng
 
Subject: Chemistry
,
Working Paper
, Title:

A Class of Organic Units Featuring Matrix-controlled Color-tunable Ultralong Organic Room Temperature Phosphorescence

, Authors: Xue Zhang, Chen Qian, Zhimin Ma, Xiaohua Fu, Zewei Li, Huiwen Jin, Mingxing Chen, Hong Jiang, Zhiyong Ma
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-9jb69
 
Subject: Chemistry
,
Working Paper
, Title:

VTAnDeM: A Python Toolkit for Simultaneously Visualizing Phase Stability, Defect Energetics, and Carrier Concentrations of Materials

, Authors: Michael Toriyama, Jiaxing Qu, Lidia C. Gomes, Elif Ertekin
Version undefined posted 11 October 2022
Posted
Oct 11, 2022
10.26434/chemrxiv-2022-x2tbf
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of 1-benzhydryl piperazine-based HDAC inhibitors with anti-cancer and anti-metastatic properties against human breast cancer: synthesis, molecular modeling, in vitro and in vivo biological evaluation

, Authors: Dusan Ruzic, Milos Petkovic, Nemanja Djokovic, Juan Santibanez, Bernhard Ellinger, Milan Beljkas, Sheraz Gul, Ana Djuric, A. Ganesan, Aleksandar Pavic, Tatjana Srdic-Rajic, Katarina Nikolic
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-7f7x2-v2
 
Subject: Chemistry
,
Review
, Title:

Research progress of electrospray ion source principle

, Authors: jiehong luo
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-hcvn0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Online Protein Unfolding Characterized by Ion Mobility Electron Capture Dissociation Mass Spectrometry: Cytochrome C from Neutral and Acidic Solutions

, Authors: Rebecca Cain, Ian Webb
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-w08rh
 
Subject: Chemistry
,
Working Paper
, Title:

Chemodivergent C(sp3)–H and C(sp2)–H Cyanomethylation Using Engineered Carbene Transferases

, Authors: Juner Zhang, Ailiena Maggiolo, Edwin Alfonzo, Runze Mao, Nicholas Porter, Nayla Abney, Frances Arnold
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-z6pkw
 
Subject: Chemistry
,
Working Paper
, Title:

Syntheses of (+)-Antrodiellin B, (−)-Hypnophilin and (−)-Coriolin and Strained 5/5/5 and 5/6/4 Skeletons via [5+2+1]/Epoxidation/Transannular Radical Cyclization

, Authors: Zhi-Xiang Yu, Lu-Ning Wang, Zhiqiang Huang
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-lxlfz
 
Subject: Chemistry
,
Working Paper
, Title:

A spin-flip variant of the second-order approximate coupled-cluster singles and doubles method

, Authors: Garrette Pauley Paran, Cansu Utku, Thomas-Christian Jagau
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-jrpdx
 
Subject: Chemistry
,
Working Paper
, Title:

Judicious Heteroatom Doping Produces High Performance Deep Blue Multiresonant Thermally Activated Delayed Fluorescence Organic Light-Emitting Diodes

, Authors: Subeesh Madayanad Suresh, Le Zhang, Tomas Matulaitis, David Hall, Changfeng Si, Alexandra Slawin, Stuart Warriner, David Beljonne, Yoann Olivier, Ifor Samuel, Eli Zysman-Colman
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-mp19p
 
Subject: Chemistry
,
Review
, Title:

Active Machine Learning for Chemical Engineers: a Bright Future Lies Ahead!

, Authors: Yannick Ureel, Maarten R. Dobbelaere, Yi Ouyang, Kevin De Ras, Maarten K. Sabbe, Guy B. Marin, Kevin M. Van Geem
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-3f996
 
Subject: Chemistry
,
Working Paper
, Title:

Crystallographic and Computational Analysis of Solid Form Landscape of Three Structurally Related Imidazolidine-2,4-dione Active Pharmaceutical Ingredients: Nitrofurantoin, Furazidin and Dantrolene

, Authors: Aija Trimdale-Deksne, Artis Kons, Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Liliana Mazur, Magdalena Skiba, Marta K. Dudek, Nicolas Fantozzi, David Virieux, Evelina Colacino, Agris Bērziņš
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-ql13w
 
Subject: Chemistry
,
Working Paper
, Title:

A Readily Obtained Alternative of 1H-benzo[f]indole towards Room Temperature Ultralong Organic Phosphorescence

, Authors: Xiaohua Fu, Xue Zhang, Chen Qian, Zhimin Ma, Zewei Li, Hong Jiang, Zhiyong Ma
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-dd7pv
 
Subject: Mathematics
,
Working Paper
, Title:

Gödel mathematics versus Hilbert mathematics. I. The Gödel incompleteness (1931) statement: axiom or theorem?

, Authors: Vasil Penchev
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.33774/coe-2022-wlr02
 
Subject: Chemistry
,
Working Paper
, Title:

N-Carboxyanhydrides Directly from Amino Acids and Carbon Dioxide and their Tandem Reactions to Therapeutic Alkaloids

, Authors: Thi Tran, Yi Shen, Hieu Nguyen, Shijie Deng, Hootan Roshandel, Mason Cooper, Jose Watson, Jeffery Byers, Paula Diaconescu, Loi Do
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-c32m5
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand-Assisted Gold-Catalyzed Efficient Alkynylative Cyclization with Terminal Alkynes Using H2O2 as Oxidant

, Authors: A. Stephen K. Hashmi, Hongwei Shi, Martin C. Dietl, Philipp M. Stein, Matthias Rudolph, Tao Wang, Jun Li, Petra Krämer, Frank Rominger
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-4vj37
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond single-crystal surfaces: The GAL21 water/metal force field

, Authors: Paul Clabaut, Matthieu Beisert, Carine Michel, Stephan Steinmann
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-s1s9x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Template-free synthesis of mesoporous and amorphous transition metal phosphate materials

, Authors: Stephanos Karafiludis, Ana Guilherme Buzanich, Christian Heinekamp, Annett Zimathies, Glen Smales, Vasile-Dan Hodoroaba, Johan ten Elshof, Franziska Emmerling, Tomasz Stawski
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-vz44z-v3
 
Subject: Mathematics
,
Working Paper
, Title:

A NOTE ON EIGENVALUES OF BICOMPLEX MATRIX

, Authors: JOGENDRA KUMAR
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.33774/coe-2022-w1bxz
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Sampling Aided Design of Molecular Photoswitches

, Authors: Umberto Raucci, David M. Sanchez, Todd J. Martinez, Michele Parrinello
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-m26hg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Shortwave infrared fluorofluorophores for multicolor in vivo imaging

, Authors: Irene Lim, Eric Lin, Joseph Garcia, Shang Jia, Robert Sommerhalter, Subrata Ghosh, John Gladysz, Ellen Sletten
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-vm3jb
 
Subject: Chemistry
,
Working Paper
, Title:

Prebiotic Synthesis on Meteorite Parent Bodies: Insights from Hydrogen and Carbon Isotope Models

, Authors: Laura Chimiak, John Eiler
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-3kzsz
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational preference analysis in C2H6 using Orbital Forces and Non-Covalent Interactions; comparison with related systems

, Authors: Trinidad Novoa, Julia Contreras-Garcia, Patrick Chaquin
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-4g4zf
 
Subject: Computer Science
,
Working Paper
, Title:

Evaluating the usage of Dynamic Programming in Stereo Vision Algorithm Optimization

, Authors: Mrinall Umasudhan
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.33774/coe-2022-fvc1g
 
Subject: Chemistry
,
Working Paper
, Title:

Stretching Peptides

, Authors: Zoë C. Adams, Anthony P. Silvestri, Sorina Chiorean, Brian P. Balo, Yifan Shi, Matthew Holcomb, Shawn I. Walsh, Colleen A. Maillie, Gregory K. Pierens, Stefano Forli, K. Johan Rosengren, Philip E. Dawson
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-ldq4b
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Aromatic Carbonyl Thiourea PI-28 Derivatives for the Development of Radicle Elongation Inhibitor of Parasitic Weeds

, Authors: Motohiro Sonoda, Yusuke Mimura, Shizuki Noda, Atsushi Okazawa
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-7qm8l
 
Subject: Chemistry
,
Working Paper
, Title:

A Relativistic Particle Model of the H-Atom

, Authors: Dave Dunstan
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-x06z6-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A high entropy oxide as high-activity electrocatalyst for water oxidation

, Authors: Mohana V. Kante, Daniel Monteiro Cunha, Moritz L. Weber, Iris C. G. van den Bosch, Lisa Heymann, Emma van der Minne, Shu Ni, Lorenz J. Falling, Gertjan Koster, Felix Gunkel, Slavomír Nemšák, Horst Hahn, Leonardo Velasco, Christoph Baeumer
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-2x0v7
 
Subject: Chemistry
,
Working Paper
, Title:

Benchtop 19F nuclear magnetic resonance spectroscopy enabled kinetic studies and optimization of the synthesis of carmofur

, Authors: Xina Wang, Julia Vu, Charissa Luk, Edward Njoo
Version undefined posted 12 October 2022
Posted
Oct 12, 2022
10.26434/chemrxiv-2022-9213j
 
Subject: Chemistry
,
Working Paper
, Title:

Src kinase app: valid inhibitor generation and prediction with explanation using predictive model and selfies

, Authors: Mohamed Abd Elaleem
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-090pf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Plant Terpenoid Permeability through Biological Membranes Explored via Molecular Simulations

, Authors: Saad Raza, Mykayla Miller, Björn Hamberger, Josh Vermaas
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-qcg0x
 
Subject: Chemistry
,
Working Paper
, Title:

MELLODDY: cross pharma federated learning at unprecedented scale unlocks benefits in QSAR without compromising proprietary information

, Authors: Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich, Adam Zalewski, Anastasia Pentina, Lina Humbeck, Martijn Oldenhof, Ritsuya Niwayama, Peter Schmidtke, Nikolas Fechner, Jaak Simm, Adam Arany, Nicolas Drizard, Rama Jabal, Arina Afanasyeva, Regis Loeb, Shlok Verma, Simon Harnqvist, Matthew Holmes, Balasz Pejo, Maria Telenczuk, Nicholas Holway, Arne Dieckmann, Nicola Rieke, Friederike Zumsande, Djork-Arné Clevert, Michael Krug, Christopher Luscombe, Darren Green, Peter Ertl, Peter Antal, David Marcus, Nicolas Do Huu, Hideyoshi Fuji, Stephen Pickett, Gergely Acs, Eric Boniface, Bernd Beck, Yax Sun, Arnaud Gohier, Friedrich Rippmann, Ola Engkvist, Andreas H. Göller, Yves Moreau, Mathieu N. Galtier, Ansgar Schuffenhauer, Hugo Ceulemans
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-ntd3r
 
Subject: Chemistry
,
Working Paper
, Title:

Porphyrin Metalla-Assemblies Coupled to Cellulose Nanocrystals for PDT and Imaging Applications

, Authors: João Simões, Georges Wagnières, Sophia Sarpaki, Vincent Sol, Bruno Therrien
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-9ghwv
 
Subject: Chemistry
,
Working Paper
, Title:

3D Printed Electrochemical Multiwell Plate for Monitoring Food Intolerance from Intestinal Organoids

, Authors: Emily Brooks, Khalil Hussain, Khushboo Kotecha, Aya Abdalla, Bhavik Patel
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-m1wz3
 
Subject: Chemistry
,
Working Paper
, Title:

Iron-mediated peptide formation in water and liquid sulfur dioxide under prebiotically plausible conditions

, Authors: Constanze Sydow, Fabian Sauer, Alexander F. Siegle, Oliver Trapp
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-gr80t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Supermolecular Ferroelectric Nematic Materials

, Authors: Richard Mandle
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-7pk00
 
Subject: Chemistry
,
Working Paper
, Title:

Polymeric Encapsulation of a Ruthenium(II) Polypyridyl Complex: From Synthesis to in vivo Studies against High-Grade Epithelial Ovarian Cancer

, Authors: Gilles Gasser, Joao Antonio, Albert Gandioso, Fariba Nemati, Nancy Soliman, Robin Vinck, Fan Sun, Carine Robert, Pierre Burckel, Didier Decaudin, Christophe Thomas
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-2kbj5
 
Subject: Chemistry
,
Working Paper
, Title:

Bioactive hard protein coronas on poly(propylene sulfone) surfaces enable mast cell nanotherapy

, Authors: Fanfan Du, Clayton Rische, Yang Li, Michael Vincent, Yuan Qian, Simseok Yuk, Sultan Almunif, Bruce Bochner, Baofu Qiao, Evan Scott
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-v9cz6
 
Subject: Chemistry
,
Working Paper
, Title:

A crystalline aluminum/carbon-based ambiphile capable of activation and catalytic transfer of ammonia

, Authors: Felix Krämer, Jan Paradies, Israel Fernández, Frank Breher
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-d37lg
 
Subject: Chemistry
,
Working Paper
, Title:

Comprehensive Structure-Activity Relationship Studies of Cepafungin Enabled by Biocatalytic C–H Oxidations

, Authors: Alexander Amatuni, Anton Shuster, Daniel Abegg, Alexander Adibekian, Hans Renata
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-n9lzd
 
Subject: Chemistry
,
Working Paper
, Title:

Apt-clean: Aptamer-mediated cleavage of extracellular antigen, a new strategy for the inhibition of membrane protein functions

, Authors: Junya Hoshiyama, Yuga Okada, Seojung Cho, Ryosuke Ueki, Shinsuke Sando
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-dhdr8
 
Subject: Chemistry
,
Working Paper
, Title:

Facile, green, and functional group-tolerant reductions of carboxylic acids…in water

, Authors: Karthik Iyer, Chandler Nelson, Bruce Lipshutz
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-c3013
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-Free S-Arylation of Phosphorothioate Diesters and Re-lated Compounds with Diaryliodonium Salts

, Authors: Sudeep Sarkar, Marcin Kalek
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-v1zwx
 
Subject: Chemistry
,
Working Paper
, Title:

Nannochloropsis Algae Biocathodes Improve Cathodic Energy Losses in Two-Chamber Microbial Fuel Cells

, Authors: Sahand Adibnia, Kevin George
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-bwvzj
 
Subject: Chemistry
,
Working Paper
, Title:

A comparison of photodeposited RuOx for alkaline water electrolysis

, Authors: Katelynn Daly, Santiago Jimenez-Villegas, Benjamin Godwin, Martin Schoen, Oliver Calderon, Ning Chen, Simon Trudel
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-bs6ds
 
Subject: Chemistry
,
Working Paper
, Title:

Spectrally-selective Time-resolved Emission through Fourier-filtering (STEF)

, Authors: Anthony Sica, Timothy Atallah, Justin Caram
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2021-g7hmw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

“I am working 24/7, but I can't translate that to you”: The barriers, strategies, and needed supports reported by chemistry trainees from English-as-additional language backgrounds

, Authors: Jacky M. Deng, Alison B. Flynn
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-bj261
 
Subject: Chemistry
,
Working Paper
, Title:

Promoter-poison partnership protects platinum performance in coked cluster catalysts

, Authors: Patricia Poths, Harry W. T. Morgan, Guangjing Li, Autumn Fuchs, Scott L. Anderson, Anastassia N. Alexandrova
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-wtlpl
 
Subject: Chemistry
,
Working Paper
, Title:

“Magic” sinter-resistant cluster sizes of Ptn supported on Alumina

, Authors: Patricia Poths, Zixiang Hong, Guangjing Li, Scott L. Anderson, Anastassia N. Alexandrova
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-dlthj
 
Subject: Chemistry
,
Working Paper
, Title:

A general alkene aminoarylation enabled by N-centered radical reactivity of sulfinamides

, Authors: Efrey Noten, Cody Ng, Robert Wolesensky, Corey Stephenson
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-28crb
 
Subject: Chemistry
,
Working Paper
, Title:

Signal-specific reactivity of host-guest complexes controls supramolecular aggregate formation

, Authors: Guotai Li, YuCheng Wan, Reece Lewis, Bowen Fan, Rienk Eelkema
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-vz1fz
 
Subject: Chemistry
,
Working Paper
, Title:

Absorbing stress via molecular crumple zones: Strain engineering flexibility into the rigid UiO-66 material

, Authors: Sven Rogge, Sander Borgmans, Veronique Van Speybroeck
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-71tr5
 
Subject: Chemistry
,
Working Paper
, Title:

Loading and Co-Solvent-Triggered Release of Okanin, a C4 Plant Key Enzyme Inhibitor, into/from Functional Microgels

, Authors: Jonas Dittrich, Fabian Kolodzy, Alexander Töpel, Andrij Pich, Holger Gohlke
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-sgbx9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Deep learning pipeline for statistical quantification of amorphous two-dimensional materials

, Authors: Christopher Leist, Meng He, Xue Liu, Ute Kaiser, Haoyuan Qi
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-fn5z0
 
Subject: Chemistry
,
Working Paper
, Title:

Extraction and purification of a phycocolloid from Chaetomorpha aerea

, Authors: Dennis Niedrist, Aurelie Rousset, Ronan Pierre, Niklas Papenkordt, V. Prasad Shastri, Aurelien Forget
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-vb9bk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Multivariate tiered approach to highlight the link between large-scale integrated pesticide concentrations from POCIS and watershed land-uses

, Authors: Marion Bernard, Sébastien Boutry, Robin Guibal, Soizic Morin, Sophie Lissalde, Gilles Guibaud, Margaux Saüt, Jean-Pierre Rebillard, Nicolas Mazzella
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-mxnqr
 
Subject: Chemistry
,
Working Paper
, Title:

High-voltage supercapacitive swing adsorption of carbon dioxide

, Authors: Muhammad Bilal, Jiajie Li, Hao Guo, Kai Landskron
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.26434/chemrxiv-2022-98nn4
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Large and Honest COVID-19 Relief: A Subnational Qualitative Comparative Approach with Evidence from Colombia

, Authors: Juan Diego Prieto
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-vx83s-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Pandemic, Governors, and Public Opinion: The Effect of COVID-19 Cases and Deaths on Public Support for America’s Governors

, Authors: Alauna Safarpour, Matthew Baum
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-vvgg3
 
Subject: Politics and International Relations
,
Presentation
, Title:

Implications of Court Curbing in the US States

, Authors: Michael Catalano
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-d9bqt
 
Subject: Politics and International Relations
,
Presentation
, Title:

Common law systems and COVID-19 policy response: protective public health policy in the United States, Canada, New Zealand, and Australia

, Authors: Michael Catalano, Aaron Chan
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-4fwz0
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Digital Technology and Power in Agriculture. Technology Development, Data Valorization, and Sustainability Narratives in Germany

, Authors: Sarah Hackfort
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-2sjhx
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Campaign Issue Appeals: Activation and Persuasion in U.S. Presidential Elections

, Authors: Sarah Lachance
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-nm8w4
 
Subject: Politics and International Relations
,
Presentation
, Title:

Presidentialism with Parliamentarian Constitutionalism in Brazil: the Inquiry of the End of the World and unchecked judicial imbalances

, Authors: Diogo Santos, Thiago Allisson Cardoso de Jesus, Guilherme Saldanha Sanatana, Euller Tácito Andrade
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-pcp8t
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Cybersecurity Policy, Punctuated Equilibrium Theory, and the Biden Administration

, Authors: Jacob Shively
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-rcn85
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Russia-Ukraine War and the Maidan in Ukraine

, Authors: Ivan Katchanovski
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-4bn8w
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Do Two-Party Systems Hamper Defection from Undemocratic Candidates?

, Authors: Kristian Vrede Skaaning Frederiksen
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-0j0tk-v2
 
Subject: Politics and International Relations
,
Poster
, Title:

The China-North Korea Alliance in an Era of Renewed Strategic Competition

, Authors: Gary Sampson
Version undefined posted 13 October 2022
Posted
Oct 13, 2022
10.33774/apsa-2022-d9bcx
 
Subject: Chemistry
,
Working Paper
, Title:

Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group Approach

, Authors: Giovanni Li Manni, Daniel Kats, Niklas Liebermann
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-rfmhk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Strategy to Trap Oxygen and to Kill Cancer Cells by Photodynamic Therapy

, Authors: Marie Gaschard, Daniel L. Stares, Manuel Gallardo-Villagrán, David Yannick Leger, Bertrand Liagre, Christoph A. Schalley, Bruno Therrien
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-2gqfs
 
Subject: Chemistry
,
Working Paper
, Title:

AIMSim: An Accessible Cheminformatics Platform for Similarity Operations on Chemicals Datasets

, Authors: Himaghna Bhattacharjee, Jackson Burns, Dionisios Vlachos
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-nw6f5-v5
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrophobized Poly(Heptazine Imide) for Highly Effective Photocatalytic Hydrogen Peroxide Production in a Biphasic Fatty Alcohol-Water System

, Authors: Igor Krivtsov, Ashish Vazirani, Dariusz Mitoraj, Mohamed M. Elnagar, Christof Neumann, Andrey Turchanin, Yolanda Patiño, Salvador Ordóñez, Robert Leiter, Mika Lindén, Ute Kaiser, Radim Beranek
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-1rc02-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding the Reactivity of Flavin Dependent Halogenases Toward Olefins via Enantioselective Intramolecular Haloetherification and Chemoenzymatic Oxidative Rearrangements

, Authors: Yuhua Jiang, Dibyendu Mondal, Jared Lewis
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-61360-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Shearing Friction Behaviour of Synthetic Polymers Compared to a Functionalized Polysaccharide on Biomimetic Surfaces: Models for the Prediction of Performance of Eco-designed Formulations

, Authors: Benjamin J. Coscia, John C. Shelley, Andrea R. Browning, Jeffrey M. Sanders, Robin Chaudret, Roger Rozot, Fabien Léonforte, Mathew D. Halls, Gustavo S. Luengo
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-03q4x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing Carbon Capture Chemistry with 17-Oxygen NMR Spectroscopy

, Authors: Astrid Berge, Suzi Pugh, Marion Short, Chanjot Kaur, Ziheng Lu, Jung-Hoon Lee, Chris Pickard, Abdelhamid Sayari, Alexander Forse
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2021-09vcw-v3
 
Subject: Chemistry
,
Working Paper
, Title:

pi-Bond Directed C-2 Amination of Indoles: Catalysis Development, Mechanistic Investigation, and Substrate Scope

, Authors: Sandeep Vemula, Dinesh Kumar, Gregory Cook
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-hmhrz
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Stacking Interactions on Charge Transfer States in Photoswitches Interacting with Ion Channels

, Authors: Vito Federico Palmisano, Shirin Faraji, Juan Jose Nogueira
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-gkwnf
 
Subject: Chemistry
,
Working Paper
, Title:

Emergent chemical behavior in mixed food and lignocellulosic green waste hydrothermal liquefaction

, Authors: Heather LeClerc, Jeffrey Page, Geoffrey Tompsett, Sydney Niles, Amy McKenna, Julia Valla, Michael Timko, Andrew Teixeira
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-0k0jg
 
Subject: Chemistry
,
Working Paper
, Title:

Improved Characterization of Polyoxazolidinones by Incorporating Solubilizing Side Chains

, Authors: Allison Wong, Melissa Barrera, Arpan Pal, Jessica Lamb
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-1crdw
 
Subject: Chemistry
,
Working Paper
, Title:

Polyketones from Carbon Dioxide and Ethylene by Integrating Electrochemical and Organometallic Catalysis

, Authors: Henry Dodge, Benjamin Natinsky, Brandon Jolly, Haochuan Zhang, Yu Mu, Scott Chapp, Thi Tran, Paula Diaconescu, Loi Do, Dunwei Wang, Chong Liu, Alexander Miller
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-c9gkl
 
Subject: Chemistry
,
Review
, Title:

Tuning reactivity through modifications of organometallic complexes on an electrode surface

, Authors: Yi Shen, Yu Mu, Dunwei Wang, Chong Liu, Paula Diaconescu
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-pfqrp
 
Subject: Chemistry
,
Working Paper
, Title:

Size-Dependency of Hückel’s Rule in Neutral Molecules: Alternating Behavior in Global Ring Current of Furan-Acetylene Macrocycles

, Authors: Yuval Rahav, Shinaj Rajagopalan, Or Dishi, Benny Bogoslavsky, Ori Gidron
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-vwm3t
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of Oxygen Induced Chemoselectivity in Pd-catalyzed C-H Functionalization: Cross Dehydrogenative Coupling vs C-H Amination

, Authors: Sheba Ann Babu, Sunil Varughese, Jomon Mathew, Jubi John
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-2pl58
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Whose Turn Now? The Enactment & Expansion of Private School Choice Programs across the US

, Authors: Yujie Sude, Patrick Wolf
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.33774/apsa-2022-4565z
 
Subject: Politics and International Relations
,
Working Paper
, Title:

“Felicity” and “Makarismos”: Hobbes on Happiness and His Intellectual Sources

, Authors: Erfan Xia
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.33774/apsa-2022-4lqlm
 
Subject: Politics and International Relations
,
Presentation
, Title:

The Brussels Effect and Artificial Intelligence

, Authors: Charlotte Siegmann, Markus Anderljung
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.33774/apsa-2022-vxtsl
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Clientelism & Local Governance in Ghana: Does Political Clientelism Influence Public Attitude towards the Election or Appointment MMDCEs in Ghana?

, Authors: Michael Dzordzormenyoh
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.33774/apsa-2022-82j5k
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Civil Wars as Critical Junctures: Theoretical Grounding and Empirical Applications

, Authors: Kai Thaler
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.33774/apsa-2022-drtz3
 
Subject: Chemistry
,
Working Paper
, Title:

Transition of Self-assembled Structures in Poly(N- octadecyl acrylamide-co-hydroxylethyl acrylamide) Random Copolymer Films

, Authors: Mao Kikuchi, Nozomi Saito, Mizuki Ohke, Shotaro Nishitsuji, Shusaku Nagano, Jun Matsui
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-pmstk
 
Subject: Chemistry
,
Working Paper
, Title:

THE ROLE OF SOLVENT QUALITY AND OF COMPETITIVE ADSORPTION ON THE EFFICIENCY OF SUPERPLASTICIZERS IN ALKALI-ACTIVATED SLAG PASTES

, Authors: Clara Paillard, Marien Aparicio Cordoba, Nicolas Sanson, Jean-Baptiste d'Espinose de Lacaillerie, Guylaine Ducouret, Pascal Boustingorry, Marie Jachiet, Claire Giraudeau, Vanessa Kocaba
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-jv2xz
 
Subject: Chemistry
,
Working Paper
, Title:

Modulation of Co-N4 active sites in 1D-2D heterostructure as bifunctional electrocatalyst for nitrate and nitrogen reduction reaction

, Authors: Sourav Paul, Sougata Sarkar, Ashadul Adalder, Samadhan Kapse, Ranjit Thapa, Uttam Kumar Ghorai
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.26434/chemrxiv-2022-q8fq3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Authority and Participation: The Role of Leader Type, Shared Identity, and Community Influence on Campaign Participation in Zambia

, Authors: Prisca Jöst, Ellen Lust
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.33774/apsa-2022-9c4cz
 
Subject: Politics and International Relations
,
Presentation
, Title:

The President and the Vice President: Different Types of Partnerships for a Unique Power Couple

, Authors: Karine Prémont
Version undefined posted 14 October 2022
Posted
Oct 14, 2022
10.33774/apsa-2022-ggth5
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Porous and Drug Loaded Amorphous Solid Dispersions Microfiber Scaffolds of Indomethacin prepared by Melt Electrowriting

, Authors: Larissa Keßler, Zeynab Mirzaei, Juliane C. Kade, Robert Luxenhofer
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-m7750
 
Subject: Chemistry
,
Working Paper
, Title:

Is Schleyer’s Predicted All-Cis [10]Annulene an Unstable Framework?

, Authors: Karnjit Parmar, Christa Blaquiere, Brianna Lukan, Sydnie Gengler, Michel Gravel
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-zhvtf
 
Subject: Chemistry
,
Working Paper
, Title:

Deterministic Quantum Light Arrays from Giant Silica-Shelled Quantum Dots

, Authors: Hao Nguyen, David Sharp, Johannes Froech, Yi-Yu Cai, Shenwei Wu, Madison Monahan, Christopher Munley, Arnab Manna, Arka Majumdar, Cherie Kagan, Brandi Cossairt
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-7m01r
 
Subject: Chemistry
,
Working Paper
, Title:

Impacts of Polarizable Continuum Models on the SCF Convergence and DFT Delocalization Error of Large Molecules

, Authors: Fangning Ren, Fang Liu
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-w3t9p-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Adduct Ions as Diagnostic Probes of Metallosupramolecular Complexes using Ion Mobility Mass Spectrometry

, Authors: Niklas Geue, Tom Bennett, Lennart Ramakers, Grigore Timco, Eric McInnes, Neil Burton, Peter Armentrout, Richard Winpenny, Perdita Barran
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-lnq8t
 
Subject: Chemistry
,
Working Paper
, Title:

Ultralarge-Pore, Record-Low Density Three-Dimensional Covalent Organic Framework for Controlled Drug Delivery

, Authors: Yu Zhao, Saikat Das, Taishu Sekine, Haruna Mabuchi, Tsukasa Irie, Jin Sakai, Dan Wen, Teng Ben, Yuichi Negishi
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-cj4tx
 
Subject: Chemistry
,
Working Paper
, Title:

Tb3+ Photophysics: Mapping the radiative and non-radiative transition probabilities of [Tb(H2O)9]3+ using molecular photophysics

, Authors: Nicolaj Kofod, Thomas Just Sørensen
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-hjx8v
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing the role of the Kohn-Sham density in the calculation of the low-lying Bethe-Salpeter excitation energies

, Authors: Aseem Rajan Kshirsagar, Roberta Poloni
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-18bff
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Properties and Local Structure of the TEMPO/TEMPO+ Redox Pair in Ionic Liquids

, Authors: Kateryna Goloviznina, Mathieu Salanne
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-cd8xm
 
Subject: Chemistry
,
Working Paper
, Title:

BICePs v2.0: Software for Ensemble Reweighting using Bayesian Inference of Conformational Populations

, Authors: Robert Raddi, Yunhui Ge, Vincent Voelz
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-1b24c
 
Subject: Chemistry
,
Review
, Title:

Minimal Active Space: NOSCF and NOSI in Multistate Density Functional Theory

, Authors: Yangyi Lu, Ruoqi Zhao, Jun Zhang, Meiyi Liu, Jiali Gao
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-dzn5h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Alkaline Hydrogen Evolution and Oxidation Reactions Using Ni–Mo Catalysts Supported on Carbon

, Authors: Rituja Patil, Manjodh Kaur, Stephen House, Lance Kavalsky, Keda Hu, Shirley Zhong, Dilip Krishnamurthy, Venkatasubramanian Viswanathan, Judith Yang, Yushan Yan, Judith Lattimer, James McKone
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-dc2zn
 
Subject: Chemistry
,
Working Paper
, Title:

A Deep Blue Heteroatom Doped Nonacene That Exhibits Multi-Resonant Thermally Activated Delayed Fluorescence and its Use as an Emitter in High-Performance Deep Blue Organic Light-Emitting Diodes

, Authors: Subeesh Madayanad Suresh, Le Zhang, David Hall, Changfeng Si, Gaetano Ricci, Tomas Matulaitis, Alexandra Slawin, Stuart Warriner, Yoann Olivier, Ifor Samuel, Eli Zysman-Colman
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-nb1sf
 
Subject: Chemistry
,
Working Paper
, Title:

Economic Evaluation of Infrastructures for Thermochemical Upcycling of Post-Consumer Plastic Waste

, Authors: Jiaze Ma, Philip Tominac, Horacio Aguirre-Villegas, Olumide Olafasakin, Mark Mba-Wright, Craig H. Benson, George W. Huber, Victor M. Zavala
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-v838h
 
Subject: Chemistry
,
Working Paper
, Title:

Introducing state-of-the-art forensics into instrumental analysis laboratory: detection of document forgery with laser desorption/ionization mass spectrometry

, Authors: Igor Kaltashov, Kenyon Kowalski, Ryan Sullivan, Alyssa Marsico, Nicholas DeGraan-Weber
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-tzmt9
 
Subject: Chemistry
,
Review
, Title:

The Proteomics Standards Initiative at Twenty Years: Current Activities and Future Work

, Authors: Eric W Deutsch, Juan Antonio Vizcaíno, Andrew R Jones, Pierre-Alain Binz, Henry Lam, Joshua Klein, Wout Bittremieux, Yasset Perez-Riverol, David L Tabb, Mathias Walzer, Sylvie Ricard-Blum, Henning Hermjakob, Steffen Neumann, Tytus D Mak, Shin Kawano, Luis Mendoza, Tim Van Den Bossche, Ralf Gabriels, Nuno Bandeira, Jeremy Carver, Benjamin Pullman, Zhi Sun, Nils Hoffmann, Jim Shofstahl, Yunping Zhu, Luana Licata, Federica Quaglia, Silvio CE Tosatto, Sandra E Orchard
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-ksqg1
 
Subject: Chemistry
,
Working Paper
, Title:

Epitaxial thin film of high entropy oxide as electrocatalyst for oxygen evolution reaction

, Authors: Ranjan Kumar Patel, Ramesh Naidu Jenjeti, Rajat Kumar, Nandana Bhattacharya, Christoph Klewe, Padraic Shafer, S. Sampath, Srimanta Middey
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-6bjc9
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Single and Dual a-C–H Bond Functionalization of Cyclic Amines via Enzymatic Carbene Transfer

, Authors: Xinkun Ren, Bo M. Couture, Ningyu Liu, Manjinder S. Lall, Jeffrey T. Kohrt, Rudi Fasan
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-pn7rj
 
Subject: Chemistry
,
Working Paper
, Title:

Analysis of Raman spectra with surface and nanocrystalline growth in carbon nitride thin films with nitrogen flow rate

, Authors: Ritambhara Dash, Pravanshu Mohanta, Arnab Bhattacharyya
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-7123z
 
Subject: Chemistry
,
Review
, Title:

Bioceramics for medical applications: a computational view

, Authors: Ritambhara Dash, Abhay Kumar Rajak, Ramagiri Praveen Kumar, Parameshwar Kommu, Shruti Sharma, Mukesh Gurjar, Arnab Bhattacharyya
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-n3tjf
 
Subject: Chemistry
,
Working Paper
, Title:

Spin–orbit couplings within spin-conserving and spin-flipping time-dependent density functional theory: Implementation and benchmark calculations

, Authors: Saikiran Kotaru, Pavel Pokhilko, Anna Krylov
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-jktk8
 
Subject: Chemistry
,
Working Paper
, Title:

Modular mixing in plasmonic metal oxide nanocrystal gels with thermoreversible links

, Authors: Jiho Kang, Zachary M. Sherman, Hannah S. N. Crory, Diana L. Conrad, Marina W. Berry, Benjamin J. Roman, Eric V. Anslyn, Thomas M. Truskett, Delia J. Milliron
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-m40v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electric fields drive bond homolysis

, Authors: Boyuan Zhang, Cedric Schaack, Claudia Prindle, Ethan Vo, Miriam Aziz, Michael Steigerwald, Timothy Berkelbach, Colin Nuckolls, Latha Venkataraman
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-v5kts-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and characterization of new N-Heterocyclic-BF3 adducts and their reactivity vs water

, Authors: Adolfo I. B. Romo, Md Sazzad Hossain, Toby J. Woods, Joaquin Rodriguez-Lopez
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-0l7qf
 
Subject: Chemistry
,
Working Paper
, Title:

Classification of Cannabinoid Spectra Using Machine Learning

, Authors: Narayan Kabra, Gianluca Serra, Miguel Lozano, Matteo Tommasini, Karthik Sankaranarayanan, Nisha Rani Agarwal
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-9zhk2
 
Subject: Chemistry
,
Working Paper
, Title:

Two-Step Continuous-Flow Synthesis of 6-Membered Cyclic Iodonium Salts via Anodic Oxidation

, Authors: Julian Spils, Thomas Wirth, Boris J. Nachtsheim
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-9q4px
 
Subject: Chemistry
,
Working Paper
, Title:

Fibrils emerging from droplets: Molecular guiding principles behind phase transitions of short peptide-based condensates

, Authors: Wojciech P. Lipiński, Johannes Zehnder, Manzar Abbas, Peter Güntert, Evan Spruijt, Thomas Wiegand
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.26434/chemrxiv-2022-6tz18
 
Subject: Economics
,
Working Paper
, Title:

Case Study: NIO Battling Tesla with Battery as a Service

, Authors: Thomas Kader
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.33774/coe-2022-pvqw6
 
Subject: Politics and International Relations
,
Working Paper
, Title:

An Integrated Approach for Doing Comparative Discursive Policy Analysis

, Authors: Denise Walsh
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.33774/apsa-2022-gknhp
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Group Belongingness and Redistribution Preference: A Survey Experiment in Japan

, Authors: Katsunori Seki
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.33774/apsa-2022-wmxgd
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Polarization and Campaign Dynamics in Canada, 1988-2021

, Authors: Richard Johnston, Sarah Lachance
Version undefined posted 17 October 2022
Posted
Oct 17, 2022
10.33774/apsa-2022-rjjsh
 
Subject: Chemistry
,
Working Paper
, Title:

Why are Aromatic Additives Effective in Asymmetric Organocatalysis?

, Authors: Subhrashis Banerjee, Kumar Vanka
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-g40k5
 
Subject: Chemistry
,
Working Paper
, Title:

ZnOS+C adsorbent for the effective removal of Fast Green dye from synthetic and real wastewater

, Authors: Sachin ., Biplob Kumar Pramanik, Harshit Gupta, Shrawan Kumar, Jai Shankar Tawale, Kalpit Shah, Nahar Singh
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-8m2z7
 
Subject: Chemistry
,
Working Paper
, Title:

Towards uncoding hepatotoxicity of approved drugs through navigation of multiverse and consensus chemical spaces

, Authors: Edgar López-López, José L. Medina-Franco
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-nk4vf
 
Subject: Chemistry
,
Working Paper
, Title:

Inducing long lasting B cell and T cell immunity against multiple variants of SARS-CoV-2 through mutant bacteriophage Qβ – receptor binding domain conjugate

, Authors: Zibin Tan, Canchai Yang, Po-han Lin, Sherif Ramadan, Weizhun Yang, Zahra Rashidijahanabad, Shuyao Lang, Fatemeh Shafieichaharberoud, Jia Gao, Nachy Soloff, Xuanjun Wu, Steven Bolin, Dohun Pyeon, Xuefei Huang
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-rdk8m
 
Subject: Chemistry
,
Working Paper
, Title:

TeraChem Protocol Buffers (TCPB): Accelerating QM and QM/MM Simulations with a Client-Server Model

, Authors: Vinícius Wilian Cruzeiro, Yuanheng Wang, Elisa Pieri, Edward Hohenstein, Todd Martínez
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-0xnn3
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective hydroalkoxylation of 1, 3-dienes via Ni-catalysis

, Authors: Qi Li, Zhen Wang, Vy Dong, Xiao-Hui Yang
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-h9x2q
 
Subject: Chemistry
,
Working Paper
, Title:

Observation of asymmetric oxidation catalysis with B20 chiral crystals

, Authors: Guowei Li, Qun Yang, Kaustuv Manna, Yang Zhang, Hua Lv, Anastasios Markou, Yan Sun, Claudia Felser
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-84gsb
 
Subject: Chemistry
,
Working Paper
, Title:

Covalent Protein Inhibitors via Tyrosine Conjugation with Cyclic Imine Mannich Electrophiles

, Authors: Sijie Wang, Marco Hadisurya, W. Andy Tao, Emily Dykhuizen, Casey Krusemark
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-tvgn1
 
Subject: Chemistry
,
Working Paper
, Title:

ReNeGate: Reaction Network Graph Theoretical tool for automated mechanistic studies in computational homogeneous catalysis

, Authors: Ali Hashemi, Sana Bougueroua, Marie-Pierre Gaigeot, Evgeny Pidko
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-x468n-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cationic Tetrylene-Iron(0) Complexes: Access Points for Cooperative, Reversible Dihydrogen Activation and Open-Shell Iron(-I) Ferrato-Tetrylenes

, Authors: Terrance Hadlington, Philip Keil, Ademola Soyemi, Kilian Weisser, Christian Limberg, Tibor Szilvasi
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-7cztk
 
Subject: Chemistry
,
Working Paper
, Title:

Clean synthetic strategies to dopamine-based biologically active molecules from lignin: A green path to drug discovery

, Authors: Anastasiia Afanasenko, Xianyuan Wu, Alessandra DeSanti, Walid Elgaher, Andreas M. Kany, Roya Shafiei, Marie-Sophie Schulze, Thomas Schulz, Jörg Haupenthal, Anna K. H. Hirsch, Katalin Barta
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-b6rn4
 
Subject: Chemistry
,
Working Paper
, Title:

Label-free identification of spore-forming bacteria using ultra-broadband multiplex CARS (coherent anti-Stokes Raman scattering) microspectroscopy

, Authors: Kyosuke Tanaka, Ryosuke Oketani, Takeshi Terada, Philippe Leproux, Yuki Morono, Hideaki Kano
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-hphtg
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Performance of Micro-Mesoporous Zirconosilicates Prepared by Non-Hydrolytic Sol-Gel in Ethanol-To-Butadiene Transformation and Related Reactions

, Authors: Dalibor Hradsky, Petr Machac, David Skoda, Lucie Leonova, Petr Sazama, Jana Pastvova, Dalibor Kaucky, Dalibor Vsiansky, Zdenek Moravec, Ales Styskalik
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-n5xkb
 
Subject: Chemistry
,
Working Paper
, Title:

Access to Spirooxindole-fused Cyclopentanes via Stereoselective Organocascade Reaction using Bifunctional Catalysis

, Authors: Andrea Vopálenská, Vojtěch Dočekal, Simona Petrželová, Ivana Císařová, Jan Veselý
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-35338
 
Subject: Chemistry
,
Working Paper
, Title:

Optimal bond-constraint topology for molecular dynamics simulations of cholesterol

, Authors: Balázs Fábián, Sebastian Thallmair, Gerhard Hummer
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-t41rx
 
Subject: Chemistry
,
Working Paper
, Title:

Cooling-rate computer simulations for the description of crystallization of organic phase-change materials

, Authors: Victor Nazarychev, Artyom Glova, Sergey Larin, Alexey Lyulin, Sergey Lyulin, Andrey Gurtovenko
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-jcxmz
 
Subject: Chemistry
,
Working Paper
, Title:

Testing the Limits of Imbalanced CPET Reactivity: Mechanistic Crossover in H-atom Abstraction by Co(III)-oxo Complexes

, Authors: Norman Zhao, McKenna Goetz, Joseph Schneider, John Anderson
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-7fkj9
 
Subject: Chemistry
,
Working Paper
, Title:

Dispersive X-ray Absorption Spectroscopy for Time-Resolved In Situ Monitoring of Mechanochemical Reactions

, Authors: Adam Michalchuk, Ana Guilherme Buzanich, C. Tufan Cakir, Martin Radtke, M. Bilal Haider, Franziska Emmerling, Paulo F. M. de Oliveira
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-cvdg2
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Lewis Acid Screening and Reaction Optimization using 3D Printed Catalyst Impregnated Stirrer Devices in the Synthesis of Heterocycles

, Authors: Rumintha Thavarajah, Matthew Penny, Ryo Torii, Stephen Hilton
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-vtdr5
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorine-Rich Oxyfluoride Spinel Li1.25Ni0.625Mn1.125O3F Utilizing Redox-Active Ni and Mn for High Capacity and Improved Cyclability

, Authors: Hong Cai, Ruiyong Chen, Mounib Bahri, Cara Hawkins, Manel Sonni, Luke Daniels, Jungwoo Lim, Jae Evans, Marco Zanella, Leanne Jones, Troy Manning, Tim Veal, Laurence Hardwick, Matthew Dyer, Nigel Browning, John Claridge, Matthew Rosseinsky
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-8f3fk
 
Subject: Chemistry
,
Working Paper
, Title:

Caught in the act: real-time observation of the solvent response that promotes excited-state proton transfer in pyranine

, Authors: Claudius Hoberg, Justin Talbot, James Shee, Thorsten Ockelmann, Debasish DasMahanta, Fabio Novelli, Martin Head-Gordon, Martina Havenith
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2021-60zjv-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic Effects of Aminoindenyl ligands Coordinated to Manganese: Structures and Properties of a Mn(0) Metalloradical and Bimetallic Mn(-I)/Mn(I) Adduct

, Authors: David Tresp, Hagen Neugebauer, Stefan Grimme, Andreas Hansen, Demyan Prokopchuk
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-rmtbp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Can the CO2 Reduction Reaction be Improved on Cu: Selectivity and Intrinsic Activity of Functionalized Cu Surfaces

, Authors: Oliver Christensen, Siqi Zhao, Zhaozong Sun, Alexander Bagger, Jeppe Vang Lauritsen, Steen Uttrup Pedersen, Kim Daasbjerg, Jan Rossmeisl
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-fd190-v6
 
Subject: Chemistry
,
Working Paper
, Title:

Readily Accessible Strained Difunctionalized trans-Cyclooctenes with Fast Click and Release Capabilities

, Authors: Daan Sondag, Luuk Maartense, Heleen de Jong, Frank de Kleijne, Kim Bonger, Dennis Lowik, Thomas Boltje, Jan Dommerholt, Paul White, Daniel Blanco-Ania, Floris Rutjes
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-klj4d
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Identification of Active Sites in Graphite-Conjugated Catalysts

, Authors: Kunal Lodaya, Nathan Ricke, Kelly Chen, Troy Van Voorhis
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-c585m
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Role of Partisanship, Identity and Incentives in Mobilizing Zambian Citizens

, Authors: Prisca Jöst, Matthias Krönke, Sarah Lockwood, Ellen Lust
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.33774/apsa-2022-575vn
 
Subject: Chemistry
,
Working Paper
, Title:

Copolymerization Reactivity Ratio Inference: Determining Confidence Contours in Parameter Space via a Bayesian Hierarchical Approach

, Authors: Robert Reischke
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-dhcdh
 
Subject: Chemistry
,
Working Paper
, Title:

Correlations between experiments and simulations for formic acid oxidation

, Authors: Alexander Bagger, Kim D. Jensen, Maryam Rashedi, Rui Luo, Jia Du, Damin Zhang, Inês J. Pereira, María Escudero-Escribano, Matthias Arenz, Jan Rossmeisl
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-t4lqn-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Thermally Accessible Prebiotic Pathways for Forming RNA and Protein Precursors

, Authors: Qiyuan Zhao, Sanjay Garimella, Brett Savoie
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-mw3gb
 
Subject: Chemistry
,
Working Paper
, Title:

Role of Cation-π Interactions in the Phase Behavior and Thermodynamics of Complex Coacervates

, Authors: Jun Huang, Lexi Knight, Jennifer Laaser
Version undefined posted 18 October 2022
Posted
Oct 18, 2022
10.26434/chemrxiv-2022-g13t8
 
Subject: Chemistry
,
Working Paper
, Title:

Size dependence of optical nonlinearity for H-capped carbon chains, H-(C≡C)n-H: Analysis of its nature and prediction for long chains

, Authors: Zeyu Liu, Jiaojiao Wang, Qing Zhou, Tian Lu, Xia Wang, Xiufen Yan, Mengdi Zhao, Aihua Yuan
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-dnf52
 
Subject: Chemistry
,
Working Paper
, Title:

In Operando investigations of oscillatory water and carbonate effects in MEA-based CO2 electrolysis devices

, Authors: Asger Moss, Sahil Garg, Marta Mirolo, Carlos Giron, Roosa Ilvonen, Ib Chorkendorff, Jakub Drnec, Brian Seger
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-54ccs
 
Subject: Chemistry
,
Working Paper
, Title:

MLRNet: Combining physics-motivated potential model with neural network for intermolecular potential energy surface construction

, Authors: You Li, Yu Zhai, Hui Li
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-fdh5d
 
Subject: Chemistry
,
Working Paper
, Title:

Azide click chemistry on magnetotactic bacteria: a versatile technique to attach a cargo

, Authors: Paul Soto, Mila Sirinelli-Kojadinovic, Maximilien Rouzaud, Damien Faivre
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-dtb1t
 
Subject: Chemistry
,
Working Paper
, Title:

Charge-transfer-to-solvent states provide a sensitive spectroscopic probe of the local solvent structure around anions

, Authors: Ronit Sarangi, Kaushik Nanda, Anna I. Krylov
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-754cx-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A Redox-active Manganate(0) Dicarbene Metalloradical

, Authors: Ageliki Karagiannis, Alexei Tyryshkin, Roger Lalancette, Denis Spasyuk, Asmaa Washington, Demyan Prokopchuk
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-9tb5p-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Disentangling global and local ring currents

, Authors: David Bradley, Michael Jirásek, Harry Anderson, Martin Peeks
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-0dznf
 
Subject: Chemistry
,
Working Paper
, Title:

Positively bound: Remapping of Increased Positive Charge Drives SARS-CoV-2 Spike Evolution to Optimize its Binding to Cell Surface Receptors

, Authors: Sang Hoon Kim, Fiona L. Kearns, Mia A. Rosenfeld, Lane Votapka, Lorenzo Casalino, Micah Papanikolas, Rommie E. Amaro, Ronit Freeman
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-dmqq3
 
Subject: Philosophy
,
Working Paper
, Title:

On Epistemic Contextualism and the Relationship Between Being and Form

, Authors: Thomas Kader
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.33774/coe-2022-kbsxl
 
Subject: Chemistry
,
Review
, Title:

Development and Applications of the Density-based Theory of Chemical Reactivity

, Authors: Shubin Liu, Chunying Rong, Dongbo Zhao, Xin He
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-knpb0
 
Subject: History
,
Poster
, Title:

Imitation Gold Made From Cornflowers

, Authors: Nabil Ali
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.33774/coe-2022-mf500
 
Subject: Chemistry
,
Working Paper
, Title:

Polystyrene Laboratory Analysis: A Hands-On Experience to Determine the Molecular Weight of Polystyrene Through Spin Casting in A University Laboratory Setting

, Authors: Sahil Sood, Sean Fang, Alexander Wang, Thomas Luong, Justin Kim, Arkajyoti Sinha, John Jerome, Miriam Rafailovich
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-p7gnq
 
Subject: Chemistry
,
Working Paper
, Title:

Streamlined Access to Novel Activators and Degraders of the Aryl Hydrocarbon Receptor through a Rewired Multicomponent Reaction

, Authors: Ouldouz Ghashghaei, Frederick Hartung, Marina Pedrola, Alejandro Diaz, Ismael Sánchez-Vera, Joan Gil, Anna Hätälä, Katharina M. Rolfes, Francisco Javier Luque, Thomas Haarmann-Stemmann, Rodolfo Lavilla
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-46mf3
 
Subject: Chemistry
,
Working Paper
, Title:

Denitrative hydroxylation of unactivated nitroarenes

, Authors: Lee Duff, Harry Meakin, Adam Richardson, Andrew Greener, George Smith, Ivan Ocaña, Victor Chechik, Michael James
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-9l5gq
 
Subject: Chemistry
,
Working Paper
, Title:

Reactivity of Single-Atom Alloys as Easy as Counting to Ten

, Authors: Julia Schumann, Michail Stamatakis, Angelos Michaelides, Romain Réocreux
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-d5hhf
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular screening for solid–solid phase transition by machine learning

, Authors: Daisuke Takagi, Kazuki Ishizaki, Toru Asahi, Takuya Taniguchi
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-8z976-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical fuel-driven dissipative living materials

, Authors: Hyuna Jo, Serxho Selmani, Zhibin Guan, Seunghyun Sim
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-2kd0k
 
Subject: Chemistry
,
Working Paper
, Title:

Versatile high energy X-ray transparent electrolysis cell for operando measurements

, Authors: Asger Moss, Joel Hätinen, Peter Kúš, Sahil Garg, Marta Mirolo, Ib Chorkendorff, Brian Seger, Jakub Drnec
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.26434/chemrxiv-2022-7v75p-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Analyze the Attentive & Bypass Bias: Mock Vignette Checks in Survey Experiments

, Authors: John V. Kane, Yamil R. Velez, Jason Barabas
Version undefined posted 19 October 2022
Posted
Oct 19, 2022
10.33774/apsa-2020-96t72-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Description of conformational ensembles of disordered proteins by residue-local probabilities

, Authors: Adolfo Bastida, José Zúñiga, Beatriz Miguel, Miguel A. Soler
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-xwz3x
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative detection of corrosion minerals in carbon steel using shortwave infrared hyperspectral imaging.

, Authors: Thomas De Kerf, Arthur Gestels, Koen Janssens, Gunther Steenackers, Paul Scheunders, Steve Vanlanduit
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-ndqjs
 
Subject: Chemistry
,
Working Paper
, Title:

Floating Carbon Nitride Composites for Practical Solar Reforming of Pre-treated Wastes to Hydrogen Gas

, Authors: Stuart Linley, Erwin Reisner
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-t0jzc
 
Subject: Chemistry
,
Working Paper
, Title:

Explicit learning of derivatives with the KREG and pKREG models on the example of accurate representation of molecular potential energy surfaces

, Authors: Yi-Fan Hou, Fuchun Ge, Pavlo O. Dral
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-b5bnt
 
Subject: Chemistry
,
Review
, Title:

Fluorescent Dissolved Organic Matter Constituents as Surrogates for Disinfection Byproduct Formation in Drinking Water Treatment: A Critical Review

, Authors: Elena Fernandez-Pascual, Boris Droz, Jean O'Dwyer, Connie O'Driscoll, Emma Goslan, Simon Harrison, John Weatherill
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-d9qxx
 
Subject: Chemistry
,
Working Paper
, Title:

Multifunctional Helicene-Based Ytterbium(III) Coordination Polymer Displaying Circularly Polarized Luminescence, Slow Magnetic Relaxation and Room Temperature Magneto-Chiral Dichroism

, Authors: Kais Dhbaibi, Maxime Grasser, Haiet Douib, Vincent Dorcet, Olivier Cador, Nicolas Vanthuyne, françois Riobé, Olivier Maury, Stéphan Guy, Amina Bensalah-Ledoux, Bruno Baguenard, Geert Rikken, Cyrille Train, Boris Le Guennic, Matteo Atzori, Fabrice Pointillart, Jeanne Crassous
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-7k032
 
Subject: Chemistry
,
Working Paper
, Title:

Piezoelectric Response of Plastic Ionic Molecular Crystals: Role of Molecular Rotation

, Authors: Elin Dypvik Sødahl, Julian Walker, Kristian Berland
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-fqhtl
 
Subject: Chemistry
,
Working Paper
, Title:

ZINC-22 - A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery

, Authors: Benjamin Tingle, Khanh Tang, Jose Castanon, John Gutierrez, Munkhzul Khurelbaatar, Chinzorig Dandarchuluun, Yurii Moroz, John Irwin
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-82czl
 
Subject: Chemistry
,
Working Paper
, Title:

A Decacationic Ferrocene-Based Metallostar

, Authors: Susanne Margot Rupf, Amina Leoni Moshtaha, Moritz Malischewski
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-5rxlm
 
Subject: Chemistry
,
Working Paper
, Title:

Simplified Synthesis of Air-stable Copper-complexed Josiphos Ligand via Ugi’s Amine: Complete Preparation and Analysis from Ferrocene

, Authors: Jeffrey Johnson, Emma Murphy
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-f3p0d
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate and Efficient Polymorph Energy Ranking with XDM-corrected hybrid DFT

, Authors: Alastair Price, R. Alex Mayo, Alberto Otero de la Roza, Erin Johnson
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-n118r
 
Subject: Chemistry
,
Working Paper
, Title:

Room-temperature photodeposited amorphous VOx hole-transport layers for organic devices

, Authors: Renaud Miclette Lamarche, Akpeko Gasonoo, Anderson Hoff, Gregory Welch, Roman Chernikov, Simon Trudel
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-3tvnb
 
Subject: Chemistry
,
Review
, Title:

Architected Hydrogels for Functional Tissue Engineering Applications

, Authors: Doris Zauchner, Monica Zippora Müller, Sophie Zengerle, Adam Aleksander Korczak, Muriel Alexandra Holzreuter, Xiao-Hua Qin
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-jhfgl
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Investigations into the Selective Reduction of Oxygen by a MCO T3 site-inspired Copper Complex

, Authors: Phebe H. Langevelde, Errikos Kounalis, Lars Killian, Emily Monkcom, Daniel L. J. Broere, Dennis G. H. Hetterscheid
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-b916c
 
Subject: Chemistry
,
Working Paper
, Title:

A Unified System for Molecular Property Predictions: Oloren ChemEngine and its Applications

, Authors: David Huang, Sauhaarda (Raunak) Chowdhuri, Andrew Li, Alex Li, Ayush Agrawal, Kameron Gano, Andy Zhu
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-zz776
 
Subject: Chemistry
,
Working Paper
, Title:

O2 Oxidation and Sublimation Kinetics of Single Silicon Nanoparticles at 1200 to 2050 K: Variation of Reaction Rates, Evolution of Structural and Optical Properties, and the Active-to-Passive Transition

, Authors: Daniel Rodriguez, Chris Lau, Abigail Friese, Bryan Long, Scott Anderson
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-2ll5c
 
Subject: Chemistry
,
Working Paper
, Title:

Photoredox-Active Colloids and Polymer Membranes of Titanium-Based MOF Nanoparticles

, Authors: Kevin Fabrizio, Carl Brozek
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-knxwb
 
Subject: Chemistry
,
Working Paper
, Title:

Variety of steady and excited state interactions in BODIPY aggregates: photophysics in antisolvent systems and floating layers

, Authors: Sergey Usoltsev, Oleg Raitman, Alexander Shokurov, Yuriy Marfin
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-dlndt
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Driving Laboratories: A Paradigm Shift in Nanomedicine Development

, Authors: Riley Hickman, Pauric Bannigan, Zeqing Bao, Alán Aspuru-Guzik, Christine Allen
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-w6s0g
 
Subject: Chemistry
,
Working Paper
, Title:

Dual NHC/Photoredox Catalytic Synthesis of 1,4-Diketones Using an MR-TADF Photocatalyst (DiKTa)

, Authors: Callum Prentice, James Morrison, Eli Zysman-Colman, Andrew Smith
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.26434/chemrxiv-2022-20dvn
 
Subject: Engineering
,
Working Paper
, Title:

Small widths wall-attached Coandă jets for flow control

, Authors: Oussama El Mokkadem, Xintong Chen, Charlene Phan, Jérôme Delva, Pierric Joseph, Antoine Dazin, Francesco Romanò
Version undefined posted 20 October 2022
Posted
Oct 20, 2022
10.33774/coe-2022-6x4md
 
Subject: Chemistry
,
Working Paper
, Title:

Vina-GPU 2.0：further accelerating AutoDock Vina and its derivatives with GPUs

, Authors: Ji Ding, Shidi Tang, Lingyue Wang, Qinqin Huang, Haifeng Hu, Ming Ling, Jiansheng Wu
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-hcv9x
 
Subject: Chemistry
,
Working Paper
, Title:

Exploiting retro oxa-Michael chemistry in polymers

, Authors: Karin Ratzenboeck, Johanna Uher, Ema Zagar, David Pahovnik, Christian Slugovc
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-kxsm6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Highly non-stoichiometric YAG ceramics with modified luminescence properties

, Authors: Weiwei Cao, Ana Isabel Becerro, Victor Castaing, Xue Fang, Pierre Florian, Franck Fayon, Didier Zanghi, Emmanuel Veron, Alessio Zandonà, Cécile Genevois, Michael Pitcher, Mathieu Allix
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-0g95w-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Aerosol-assisted sol-gel synthesis of mesoporous Ag-Ta-SiO2 catalysts for the direct upgrading of ethanol to butadiene

, Authors: Denis Dochain, Antoine Van Den Daelen, Ales Styskalik, Vit Vykoukal, Damien Debecker
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-96hx8
 
Subject: Chemistry
,
Working Paper
, Title:

United atom and coarse grained models for crosslinked polydimethylsiloxane with applications to the rheology of silicone fluids

, Authors: Aditi Khot, Rebecca Lindsey, James Lewicki, Amitesh Maiti, Nir Goldman, Matthew Kroonblawd
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-6kjvc
 
Subject: Film, Media, Mass Communication
,
Working Paper
, Title:

Changing complexity in the hero’s journey of Dreamworks' Megamind

, Authors: Hemasai Kurapati
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.33774/coe-2022-bkz3r
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient high-field MAS-DNP NMR reveals hidden side chains in amyloid fibrils

, Authors: Alons Lends, Nicolas Birlirakis, Xinyi Cai, Asen Daskalov, Jayakrishna Shenoy, Muhammed Bilal Abdul-Shukkoor, Mélanie Berbon, Fabien Ferrage, Yangping Liu, Antoine Loquet, Kong Ooi Tan
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-0lssv
 
Subject: Chemistry
,
Working Paper
, Title:

Size-dependent Thermal Shifts to MOF Nanocrystal Optical Gaps Induced by Dynamic Bonding

, Authors: Kevin Fabrizio, Carl Brozek
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-lf9dc
 
Subject: Chemistry
,
Working Paper
, Title:

Highly stable amorphous silica-alumina catalysts for continuous bio-derived mesitylene production under solvent-free conditions

, Authors: Phillip Reif, Navneet Kumar Gupta, Marcus Rose
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-ht25q
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Propellant Properties of Boron-Based Hypergolic Ionic Liquids via Machine Learning

, Authors: Yang Xiao, Hang-Cheng Dong, Tieyong Zeng, Tinghao Ma, Feng-Lei Fan, Deng-Tao Yang
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-03m5q
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation of the vacuum effect on headspace solid-phase microextraction of volatile organic compounds from aqueous samples using finite element analysis modeling

, Authors: Bulat Kenessov, Aset Muratuly
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-v073h
 
Subject: Chemistry
,
Working Paper
, Title:

Solar E→Z photoisomerization of azo switches

, Authors: Zhao-Yang Zhang, Dongfang Dong, Tongtong Dang, Tao Li
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-vtj1s
 
Subject: Chemistry
,
Working Paper
, Title:

Crystal plane dependent dispersion of cobalt metal on metastable aluminas

, Authors: Ilya V. Yakovlev, Vladimir I. Zaikovskii, Mariya A. Kazakova, Evgeniy S. Papulovskiy, Olga B. Lapina, Jean-Baptiste d'Espinose de Lacaillerie
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-xfrt5
 
Subject: Economics
,
Working Paper
, Title:

Reforming the International Monetary System

, Authors: Abdurrahman Arum Rahman
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.33774/coe-2022-1sl9n
 
Subject: Chemistry
,
Review
, Title:

Heteroatom Substitution for the Development of Near-Infrared Lumiphores

, Authors: Remi Dado, Lauren McNamara, Mya Powers-Nash, John Anderson
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.26434/chemrxiv-2022-glsrf
 
Subject: Materials Science
,
Working Paper
, Title:

A Review Paper on Development of Aluminum Matrix Composite with Organic Reinforcements

, Authors: Akashjyoti Barman, Ajay Biswas, Avishkar B. Rathod, Mahendra Singh
Version undefined posted 21 October 2022
Posted
Oct 21, 2022
10.33774/coe-2022-lgngh
 
Subject: Chemistry
,
Working Paper
, Title:

PyrroTriPol: a Semi-rigid Trityl-Nitroxide for High Field Dynamic Nuclear Polarization

, Authors: Thomas Halbritter, Rania Harrabi, Subhradip Paul, Johan van Tol, Daniel Lee, Sabine Hediger, Snorri Th. Sigurdsson, Frederic Mentink-Vigier, Gaël De Paëpe
Version undefined posted 24 October 2022
Posted
Oct 24, 2022
10.26434/chemrxiv-2022-b7s7m
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Populism, Storytelling, and Polarization in Mexico

, Authors: Rodolfo Sarsfield, Zacarias Abuchanab
Version undefined posted 24 October 2022
Posted
Oct 24, 2022
10.33774/apsa-2022-5cnnk
 
Subject: Chemistry
,
Working Paper
, Title:

Trithiolato-Bridged Dinuclear Arene Ruthenium(ll)- Glycoconjugates: Synthesis and Antiparasitic Activity

, Authors: Isabelle Holzer, Oksana Desiatkina, Nicoleta Anghel, Serena K. Johns, Ghalia Boubaker, Andrew Hemphill, julien Furrer, Emilia Paunescu
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-kkcth
 
Subject: Chemistry
,
Working Paper
, Title:

Targeted small molecule identification using heartcutting liquid chromatography–infrared ion spectroscopy

, Authors: Rianne E. van Outersterp, Jitse Oosterhout, Christoph R. Gebhardt, Giel Berden, Udo F.H. Engelke, Ron A. Wevers, Filip Cuyckens, Jos Oomens, Jonathan Martens
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-h0t51
 
Subject: Chemistry
,
Working Paper
, Title:

Protein Encapsulated Covellite CuS Nanospheres for the Efficient Oxidative Degradation of Organic Dyes in Wastewater

, Authors: Shamili Bandaru, Anik Sen, Goutam Pramanik, Goutam Kumar Dalapati, Sajal Biring, Sabyasachi Chakrabortty
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-m399q
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing Catalytic Rates of Bimetallic Nanoparticles with Active Site Specificity - A Case Study using NO Decomposition

, Authors: Joakim Halldin Stenlid, Verena Streibel, Tej S. Choksi, Frank Abild-Pedersen
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2021-lmlmg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Bond Bundle Analysis of Ketosteroid Isomerase

, Authors: Timothy Wilson, Amanda Morgenstern, Anastassia Alexandrova, Mark Eberhart
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-k7k0h-v6
 
Subject: Chemistry
,
Working Paper
, Title:

SERS based detection of herbicide MCPA using electrochemically synthesized 2D-silver nanodendrites functionalized with cyclodextrin

, Authors: Robert Daly, Tarun Narayan, Fernando Diaz, Julio Gutierrez Moreno, Michael Nolan, Alan O'Riordan, Pierre lovera
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-48ffg
 
Subject: Chemistry
,
Working Paper
, Title:

Pulsed Photothermal Heterogeneous Catalysis

, Authors: Andrea Baldi, Sven Askes
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-c6jll
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate Spin-Orbit Coupling and Intersystem Crossing by Relativistic Mixed-Reference Spin-Flip (MRSF)-TDDFT

, Authors: Konstantin Komarov, Woojin Park, Seunghoon Lee, Tao Zeng, Cheol-Ho Choi
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-z1trp
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Uronic Acid 1-Azasugars as Putative Inhibitors of a-Iduronidase, b-Glucuronidase and Heparanase

, Authors: Gareth Doherty, Geraldine Ler, Norbert Wimmer, Paul Bernhardt, Roger Ashmus, David Vocadlo, Zach Armstrong, Gideon Davies, Marco Maccarana, Jin-ping Li, Yasmin Kayal, Vito Ferro
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-dhq8q
 
Subject: Chemistry
,
Working Paper
, Title:

Evidence for Oxonium Ions in Ethereal "Hydrogen Chloride"

, Authors: Corin Wagen, Eric Jacobsen
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-9fjb7
 
Subject: Chemistry
,
Working Paper
, Title:

Transition Metal-Free Difunctionalization of Sulfur Nucleophiles

, Authors: Shobhan Mondal, Ester Maria Di Tommaso, Berit Olofsson
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-c1bt4
 
Subject: Chemistry
,
Working Paper
, Title:

AQME: Automated Quantum Mechanical Environments for Researchers and Educators

, Authors: Juan V. Alegre-Requena, Shree Sowndarya, Turki Alturaifi, Raúl Pérez-Soto, Robert Paton
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-dnc48
 
Subject: Chemistry
,
Working Paper
, Title:

Orientation-dependent real-time single-molecule photobleaching inside uniform electrodynamic interfaces of nanofluidic confinement

, Authors: Chinmaya KV, Moumita Ghosh, Siddharth Ghosh
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-hp2f0
 
Subject: Chemistry
,
Working Paper
, Title:

NHPyOx as a Chem-Bio Model for the Synergistic Discovery of Novel Ligands Facilitating Pharmaceutical Science

, Authors: Juan Yang, Jixing Lai, Shengxin Sun, Weixing Li, Shengkun Li
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-lw3s9
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanically Gated Formation of Donor–Acceptor Stenhouse Adducts Enabling Mechanochemical Multicolor Soft Lithography

, Authors: Anna C. Overholts, Wendy Granados Razo, Maxwell J. Robb
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-f09r0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Relation Between the Bond Angle and Carbon-Oxygen Stretching Frequencies of Carboxylato Complexes

, Authors: Madison M. Foreman, John F Stanton, J. Mathias WEBER
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-39dc0
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Catalytic Enantioselective Hydrophosphonylation of N-Unsubstituted Ketimines

, Authors: Koki Yamada, Yuta Kondo, Akihiko Kitamura, Tetsuya Kadota, Hiroyuki Morimoto, Takashi Ohshima
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-0hd6r
 
Subject: Chemistry
,
Working Paper
, Title:

Ni/Co@NDC Modulates the Highly Selective Conversion of Vanillin in Flow Reactor under Mild Conditions

, Authors: Jianguo liu, Shanshan Lin, Lungang Chen, Xinghua Zhang, Qi Zhang, Longlong Ma
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-b4t49
 
Subject: Chemistry
,
Working Paper
, Title:

Transport-Mediated Photocatalysts for Selective Conversion of Methane to Methanol and Other Oxygenates

, Authors: Chenlu Xie, Eddie Sun, Gang Wan, Jian Zheng, Raghubir Gupta, Arun Majumdar
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-5dbbd
 
Subject: Chemistry
,
Working Paper
, Title:

Free-standing film based on dissolution and homogeneous compounding of carbon nitride for photocatalytic sterilization

, Authors: Xiaoxiao Peng, Jin Ma, Hong Yang, Kaiqing Wu, Zhixin Zhou, Qing Hong, Sicheng Liang, Songqin Liu, Yanfei Shen, Yuanjian Zhang
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-s03pt
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating Li5NCl2: A fully-reduced, highly-disordered nitride- halide electrolyte for solid state batteries with lithium metal anodes

, Authors: Victor Landgraf, Theodosios Famprikis, Swapna Ganapathy, Lars Bannenberg, Joris de Leeuw, Marnix Wagemaker
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-szgx0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Graph neural networks predict energetic and mechanical properties for models of solid solution metal alloy phases

, Authors: Massimiliano Lupo Pasini, GS Jung, Stephan Irle
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-mmx62-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Redox Inversion: A Radical Analog of Umpolung Reactivity for Base and Metal-Free Catalytic C(sp3)–C(sp3) Coupling

, Authors: Chris Seong, Annabel Ansel, Courtney Roberts
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-qm9wx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

1H NMR Elucidation of Observed Stable Sugar-NaCl-water Complexes in Aqueous Solution

, Authors: Gan Zhu, Hui Li, Yiqun Li, Liuqun Gu
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2021-t8k0j-v5
 
Subject: Chemistry
,
Working Paper
, Title:

MemCross: Accelerated Weight Histogram method to assess membrane permeability

, Authors: Mehdi Benmameri, Benjamin Chantemargue, Antoine Humeau, Patrick Trouillas, Gabin Fabre
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-rk82h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Heterogeneity in Cation Exchange Ag+ Doping of CdSe Nanocrystals

, Authors: Abigail R Freyer, Trevor Tumiel, Michelle Smeaton, Benjamin H Savitzky, Lena F Kourkoutis, Todd D Krauss
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-l7rmf
 
Subject: Chemistry
,
Working Paper
, Title:

Thermal and (thermo-reversible) photochemical cycloisomerization of 1H-2-benzo[c]oxocins; From synthetic applications to the development of a new molecular photothermal switch

, Authors: Minghui Zhou, Simon Mathew, Bas de Bruin
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-nqjmj
 
Subject: Chemistry
,
Working Paper
, Title:

Sulfonamide as Photoinduced Hydrogen Atom Transfer Catalyst for Organophotoredox Hydrosilylation and Hydrogermylation of Activated Alkenes

, Authors: Kalu Ram Bajya, Manjeet Kumar, Azaj Ansari, Sermadurai Selvakumar*
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-6tzsb
 
Subject: Chemistry
,
Working Paper
, Title:

New Nucleic Base-tethered Trithiolato-bridged Dinuclear Ruthenium(II)-Arene Compounds: Synthesis and Antiparasitic Activity

, Authors: Oksana Desiatkina, Martin Mösching, Nicoleta Anghel, Ghalia Boubaker, julien Furrer, Yosra Amdouni, Andrew Hemphill, Emila Păunescu
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-5qf36
 
Subject: Chemistry
,
Working Paper
, Title:

Green recovery of polyphenolic compounds from food industry apple waste using subcritical water

, Authors: Parinaz Hobbi, Oseweuba Okoro, Paul Musonge, Lei Nie, Amin Shavandi
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.26434/chemrxiv-2022-0drh9
 
Subject: Politics and International Relations
,
Working Paper
, Title:

More Than Brown: How Race and Skin Tone Matter for Latino Group Identity

, Authors: Danielle Clealand, Angela Gutierrez
Version undefined posted 25 October 2022
Posted
Oct 25, 2022
10.33774/apsa-2022-4r9wq
 
Subject: Chemistry
,
Review
, Title:

Electrochemical nucleic acid-based sensors for detection of E. coli and Shiga toxin-producing E. coli (STEC) – Review of the recent developments

, Authors: Luiza Wasiewska, Ian Seymour, Vuslat Juska, Kaye Burgess, Geraldine Duffy, Alan O'Riordan
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-3xsrn
 
Subject: Chemistry
,
Working Paper
, Title:

Dissociation slowdown by collective optical response under strong coupling conditions

, Authors: Maxim Sukharev, Joseph Subotnik, Abraham Nitzan
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-g3472
 
Subject: Chemistry
,
Working Paper
, Title:

Forced amyloidogenic cooperativity of structurally incompatible peptide segments: Fibrillization behavior of highly aggregation-prone A-chain fragment of insulin coupled to all-L, and alternating L/D octaglutamates

, Authors: Robert Dec, Róża Okoń, Wojciech Puławski, Matylda Wacławska, Wojciech Dzwolak
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-3j0fg
 
Subject: Chemistry
,
Working Paper
, Title:

Erratum to “Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems”

, Authors: Tian Lu, Qinxue Chen
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-g1m34
 
Subject: Chemistry
,
Working Paper
, Title:

Aldehydes as O-Nucleophiles in Cobalt Hydride Catalysis: Overriding the Innate Somophilicity

, Authors: Yi-Chen Nie, Fan Yang, Yu-Hao Li, Rong Zhu
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-l7xbh
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding Reactivity of Self-Assembled Monolayer-Coated Electrodes: SAM-Induced Surface Reconstruction

, Authors: Francisco W. S. Lucas, Daniel K. Schwartz, J. Will Medlin, Adam Holewinski
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-7jcvl
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of 3-alkyl oxazolidines, derived from 2-hydroxymethyl piperidine, as analytical standards for the analysis of volatile aldehydes in the workplace

, Authors: Amadou R. Yaya, Martin Girard, Karima Belkhadem, Rémi Piard, Andreas Decken, Catherine Choinière, Pierre-Luc Cloutier, Jacques Lesage, Livain Breau
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-scww8
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Access to C-N Axially Chiral Isoquinolones via Dynamic Kinetic Transformation of Carbene Reagents: Unique Chiral Induction Enabled by Dual Role of the Catalyst

, Authors: Peiyuan Wang, Hongli Wu, Xue-Peng Zhang, Genping Huang, Xingwei Li
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-81fvj
 
Subject: Chemistry
,
Review
, Title:

Protein Cargo Encapsulation by Virus-Like Particles: Strategies and Applications

, Authors: Donna McNeale, Noor Dashti, Li Chen Cheah, Frank Sainsbury
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-vtnkq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A scalable microstructure photonic coating fabricated by roll-to-roll “defects” for daytime sub-ambient passive radiation cooling

, Authors: Sipan Liu, Chenxi Sui, Myers Harbinson, Michael Pudlo, Himendra Perera, Zhenzhen Zhang, Ruguan Liu, Zahyun Ku, Md Didarul Islam, Yuxuan Liu, Yong Zhu, Jan Genzer, Saad Khan, Po-Chun Hsu, Jong Eun Ryu
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-b1tm1
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times

, Authors: Mateusz Piotr Sowiński, Sahil Gahlawat, Anna-Luisa Warnke, Bjarte Aarmo Lund, Kathrin Helen Hopmann, Janet Eleanor Lovett, Marius Myreng Haugland
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-25r6x
 
Subject: Chemistry
,
Working Paper
, Title:

Challenges in Molecular Dynamics of Amorphous ZIFs using Reactive Force Fields

, Authors: Nicolas Castel, François-Xavier Coudert
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-lw5n8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Radical-like reactivity for dihydrogen activation by coinage metal-aluminyl complexes: computational evidence inspired by experimental main group chemistry

, Authors: Diego Sorbelli, Leonardo Belpassi, Paola Belanzoni
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-crzh7
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of drug metabolites with infrared ion spectroscopy – application to midazolam in vitro metabolism

, Authors: Rianne van Outersterp, Jonathan Martens, Giel berden, Arnaud Lubin, Filip Cuyckens, Jos Oomens
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-z3419
 
Subject: Chemistry
,
Working Paper
, Title:

One-pot approach for multi-step, iterative synthesis of sequence-defined oligocarbamates

, Authors: Pawel Cwynar, Pawel Pasikowski, Roza Szweda
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-4pg74-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Borylation of Dinitrogen into Borylamines and Borylhydrazines Using Rhenium Complexes under Ambient Reaction Conditions

, Authors: Fanqiang Meng, Shogo Kuriyama, Akihito Egi, Hiromasa Tanaka, Kazunari Yoshizawa, Yoshiaki Nishibayashi
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-thz3c
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-free construction of aminated isoquinoline frameworks from 2-(2-oxo-2-arylethyl) benzonitrile in an aqueous medium

, Authors: Himanshi Sharma, Manoj Kumar, Aaftaab Sethi, Brijesh Rathi
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-9t28v
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Small Molecule Switches of Protein Function in Zebrafish Embryos

, Authors: Wes Brown, Joshua Wesalo, Michael Tsang, Alexander Deiters
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-f6wp5
 
Subject: Chemistry
,
Working Paper
, Title:

Pt:Ge ratio as a lever of activity and selectivity control of supported PtGe clusters in thermal dehydrogenation

, Authors: Patricia Poths, Borna Zandkarimi, Anastassia N. Alexandrova, Elisa Jimenez-Izal
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-9kggn
 
Subject: Chemistry
,
Working Paper
, Title:

AN IMPROVED NON-TARGET ANALYSIS AND SUSPECT SCREENING WORKFLOW FOR ORGANIC ACID CONTAMINANTS IN DRINKING WATER

, Authors: Davide Ciccarelli, Tim Marczylo, Paolo Vineis, Leon Barron
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-df8gb-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Scaffold Generator - A Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK)

, Authors: Jonas Schaub, Julian Zander, Achim Zielesny, Christoph Steinbeck
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-7tf0h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning full NMR chemical shift tensors of silicon oxides with equivariant graph neural networks

, Authors: Maxwell Venetos, Mingjian Wen, Kristin Persson
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.26434/chemrxiv-2022-qbfnb
 
Subject: Mathematics
,
Working Paper
, Title:

Computation and Analysis of Combinatorial Geometric Series and Binomial Series

, Authors: Chinnaraji Annamalai
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.33774/coe-2022-0q625-v5
 
Subject: Earth and Environmental Sciences
,
Policy brief
, Title:

Climate Risk Decision-making: Translation of Decision Support into Policy

, Authors: Erik Mackie, Irena L.C. Connon, Mark Workman, Alyssa Gilbert, Emily Shuckburgh
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.33774/coe-2022-qnd2z
 
Subject: Computer Science
,
Working Paper
, Title:

HIGH-PERFORMANCE NETWORK APPLICATION FOR CREATING PERSONALIZED VIDEOS AND AUDIOS USING MLT

, Authors: Marius Heinrich
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.33774/coe-2022-gqvlx
 
Subject: Mathematics
,
Working Paper
, Title:

On Time Irreversibility of Generalized Hassani Kinematics

, Authors: Yaroslav Grushka
Version undefined posted 26 October 2022
Posted
Oct 26, 2022
10.33774/coe-2022-tk8bw
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring 129Xe NMR parameters for structural investigation of biomolecules: relativistic, solvent, and thermal Effects

, Authors: Mateus A. Gonçalves, Gustavo A. Andolpho, Elaine F. F. da Cunha, Teodorico C. Ramalho
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-kmbsn
 
Subject: Chemistry
,
Working Paper
, Title:

Matcher: An Open-Source Application for Translating Large Structure/Property Datasets into Insights for Drug Design

, Authors: Andrew Hoover, Martin Spale, Brian Lahue, Danny Bitton
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-g2fxg
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Biological Evaluation of tert-Butyl Ester and Ethyl Ester Prodrugs of L-γ-Methyleneglutamic Acid Amides for Cancer

, Authors: Md Imdadul Khan, Fakhri Mahdi, Patrice Penfornis, Nicholas Akins, Md Imran Hossain, Seong Jong Kim, Suresh Sulochana, Amna Adam, Tristan Tran, Chalet Tan, Pier Paolo Claudio, Jason Paris, Hoang Le
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-rhjcx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Global Reactivity Models are Impactful in Industrial Synthesis Applications

, Authors: Paulo Neves, Kelly McClure, Jonas Verhoeven, Natalia Dyubankova, Ramil Nugmanov, Andrey Gedich, Sairam Menon, zhicai Shi, Jörg Wegner
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-5775s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Algorithmic graph theory for post-processing molecular dynamics trajectories

, Authors: Sana Bougueroua, Ylene Aboulfath, Dominique Barth, Marie-Pierre Gaigeot
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-vjmdx
 
Subject: Chemistry
,
Working Paper
, Title:

GaTewAY : Graph theory-based software for automatic analysis of molecular conformers generated over time

, Authors: Sana Bougueroua, Franck Quessette, Dominique Barth, Marie-Pierre Gaigeot
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-1d5x8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Merging Electrocatalytic Alcohol Oxidation with C-N Bond Formation by Electrifying Metal-Ligand Cooperative Catalysts

, Authors: Sitthichok Kasemthaveechok, Niklas von Wolff
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-n306b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Resonant Acoustic Mixing (RAM) for Efficient Mechanoredox Catalysis without Grinding or Impact Media

, Authors: Farshid Effaty, Lori Gonnet, Stefan Koenig, Karthik Nagapudi, Xavier Ottenwaelder, Tomislav Friscic
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-6z2xs
 
Subject: Chemistry
,
Working Paper
, Title:

Monkeypox Virus Aggressively Invades via GP120 Domains and PI3K/GTPase-like System of F13 Protein

, Authors: wenzhong liu, hualan li
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-3smb7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chitin-binding function and glycosyl hydrolysis/motor-like system facilitate the spread of the wheat mosaic virus

, Authors: wenzhong liu, hualan li
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-zs4wh
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalytic treatment of organoselenium in synthetic mine-impacted effluents

, Authors: Jeffrey Martin, Tia Chai, Timothy Leshuk, Zachary Young, Frank Gu
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-sgb2d
 
Subject: Chemistry
,
Working Paper
, Title:

Disproportionation and ligand lability in low oxidation state boryl-tin chemistry

, Authors: Xiongfei Zheng, Agamemnon Crumpton, Andrey Protchenko, Andreas Heilmann, Mathias Ellwanger, Simon Aldridge
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-zk61r
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Detection Methodology of Milk-Oligopeptides fingerprints using Ion-Sensitive BioFET

, Authors: Naveen Kumar, Rakshita Pritam Singh Dhar, César Pascual García, Vihar Georgiev
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-vxtgl
 
Subject: Chemistry
,
Working Paper
, Title:

X- and Q-band EPR with cryogenic amplifiers independent of sample temperature

, Authors: Vidmantas Kalendra, Justinas Turcak, Juras Banys, John J.L. Morton, Mantas Simenas
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-qmvcg
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum versus Classical Unimolecular Fragmentation Rate Constants and Activation Energies at Finite Temperature from Direct Dynamics Simulations

, Authors: Federica Angiolari, Simon Huppert, Riccardo Spezia
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-2t32g-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Performance of Density Functionals and Semiempirical 3c Methods for Small Gold-Thiolate Clusters

, Authors: Maya Khatun, Sayan Paul, Saikat Roy, Subhasis Dey, Anakuthil Anoop
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-35wtw-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Modular synthesis of nimbolide and its analogues as PARP1 trapping inducers

, Authors: Tian Qin, Heping Deng, Hejun Deng, Chiho Kim, Peng Li, Xudong Wang, Yonghao Yu
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-7r1k8
 
Subject: Chemistry
,
Working Paper
, Title:

Assessments of Variational Autoencoder in Protein Conformation Exploration

, Authors: Sian Xiao, Zilin Song, Hao Tian, Peng Tao
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-g2c00
 
Subject: Chemistry
,
Working Paper
, Title:

Photoredox-catalysed Hydroaminoalkylation of on-DNA N- Arylamines

, Authors: Yasaman Mahdavi-Amiri, Nicole Frias, Adam Csakai, Lisa Marcaurelle, Ryan Hili
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-cs7rj
 
Subject: Chemistry
,
Working Paper
, Title:

Fully Delocalized Mixed-Valent Cu1.5Cu1.5 Complex: Strong Cu-Cu Interaction and Fast Electron Self-Exchange Rate Despite Large Structural Changes

, Authors: Yang Liu, Stefan Resch, Haowei Chen, Sebastian Dechert, Serhiy Demeshko, Eckhard Bill, Shengfa Ye, Franc Meyer
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-q86dm
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Excitonically-Coupled Dimers in an Artificial Protein for Light Harvesting via Molecular Dynamics Simulations

, Authors: Mariano Curti, Valentin Maffeis, Luís G.T.A. Duarte, Saeed Shareef, Luisa X. Hallado, Carles Curutchet, Elisabet Romero
Version undefined posted 27 October 2022
Posted
Oct 27, 2022
10.26434/chemrxiv-2022-2mljk
 
Subject: Chemistry
,
Working Paper
, Title:

A Simple Approach for Beginners to Drawing Lewis Structures, Resonance Forms, and Isomers

, Authors: Qi Cui, Jordan Harshman
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-m4ffd
 
Subject: Chemistry
,
Working Paper
, Title:

pH-responsive i-motif-conjugated nanoparticles for MRI analysis

, Authors: Kristine Y. Ma, Mireia Perera Gonzalez, Nicole I. Langlois, Isen Andrew C. Calderon, Heather A. Clark, Chris A. Flask
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-tc7pm
 
Subject: Chemistry
,
Working Paper
, Title:

Diagnostics of Thyroid Cancer Using Machine Learning and Metabolomics

, Authors: Alyssa Kuang, Valentina Kouznetsova, Igor Tsigelny
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-3mdx6
 
Subject: Chemistry
,
Working Paper
, Title:

Aziridination-assisted mass spectrometry of nonpolar lipids with isomeric resolution

, Authors: Erin Hirtzel, Madison Edwards, Dallas Freitas, Xin Yan
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-wpzvv
 
Subject: Chemistry
,
Working Paper
, Title:

Crystal chemistry rationale and DFT investigations of novel hard tetragonal C6 built from tetrahedral C(sp3) lattice embedding allene-like sp2 linear tricarbon.

, Authors: Samir MATAR
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-3cs4s
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced photocatalytic activity of Cs4PbBr6/WS2 hybrid nanocomposite

, Authors: Philip Nathaniel Immanuel, Song-Jeng Huang, Pravrati Taank, Achiad Goldreich, Jonathan Prilusky, Archana Byregowda, Raanan Carmieli, Alla Zak, Naresh Aggarwal, K. V. Adarsh, Lena Yadgarov
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-gxmvh
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling transport of ion pairs by a light-responsive heteroditopic azobenzene carrier

, Authors: Patryk Niedbała, Jakub Narodowiec, Magdalena Ceborska, Jarosław Granda, Kajetan Dąbrowa
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-3sk7j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating Electrocatalytic Oxygen Reduction Kinetics via Intermediates by Time-Dependent Electrochemiluminescence

, Authors: Kaiqing Wu, Ran Chen, Zhixin Zhou, Xinghua Chen, Yanqin Lv, Jin Ma, Yanfei Shen, Songqin Liu, Yuanjian Zhang
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-xtrqr-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Temperature sensitive copolymers as a model system for understanding the physical basis of nonequilibrium assembly

, Authors: Supraja Chittari, Allie Obermeyer, Abigail Knight
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-77cdd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

All-Organic Polymeric Materials with Extraordinarily High Refractive Index and Excellent Transparency

, Authors: Jie Zhang, Tianwen Bai, Weixi Liu, Qiguang Zang, Canbin Ye, Jing Zhi Sun, Yaocheng Shi, Jun Ling, Anjun Qin, Ben Zhong Tang
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-kdjjm
 
Subject: Chemistry
,
Working Paper
, Title:

Polarizable force field for acetonitrile based on the single-center multipole expansion

, Authors: Hemanadhan Myneni, Elvar Örn Jónsson, Hannes Jónsson, Asmus Ougaard Dohn
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-2nkm1-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A surrogate based genetic algorithm method for efficient identification of low-energy peptide structures

, Authors: Justin Villard, Murat Kılıç, Ursula Rothlisberger
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-cq1qm
 
Subject: Chemistry
,
Working Paper
, Title:

Hydration Structure of Na+ and K+ Ions in Solution Predicted by Data-Driven Many-Body Potentials

, Authors: Debbie Zhuang, Marc Riera, Ruihan Zhou, Alexander Deary, Francesco Paesani
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-8h843-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Determining the Impact of Caffeine Concentrations on Betta splendens

, Authors: Andrew Lee, Ryan Cheng, John Heslar
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-lxvnj
 
Subject: Chemistry
,
Working Paper
, Title:

Construction of Carbon Dots with Wavelength-tunable Electrochemiluminescence and Enhanced Efficiency

, Authors: Yanfei Shen, Erli Yang, Hong Yang, Zhenqiang Ning, Yanfeng Fang, Mengyuan Chen, Yongjun Zheng, Guoqiu Wu, Wenhua Xu, Yuanjian Zhang
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-28vp0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

State-Selective Probing of CO2 Autoionizing Inner Valence Rydberg States with Attosecond Extreme Ultraviolet Four-Wave Mixing Spectroscopy

, Authors: Ashley Fidler, Yen-Cheng Lin, James Gaynor, William McCurdy, Stephen Leone, Robert Lucchese, Daniel Neumark
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.26434/chemrxiv-2022-463l2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Relationship Between Crime Levels and Spatial Accessibility to Police Services: The Case of Paraguay

, Authors: Luis Recalde Ramirez
Version undefined posted 28 October 2022
Posted
Oct 28, 2022
10.33774/apsa-2022-2x2c2
 
Subject: Chemistry
,
Working Paper
, Title:

Allosteric Modulation of PCSK9-LDLR Interaction: Can Structureless Loops be Drug Targets?

, Authors: Ipsita Basu, Krishnendu Sinha, Zacharia Shah, Salim Shah, Suman Chakrabarty
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-1w1q3
 
Subject: Chemistry
,
Working Paper
, Title:

Visible-light promoted N-aminoalkylation of quinazolinones

, Authors: Wenwen Cui, Yang Fan, Zhi-Bin Wang, Xiao- Wei Liang, Shou-Guo Wang
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-1hv1c
 
Subject: Chemistry
,
Working Paper
, Title:

Bio-weathering Using Shewanella oneidensis MR-1 Enhances Selective Recovery of Rare Earth Elements from Alaskan Coal Mines

, Authors: Ankur Sachan, Subhabrata Dev, Brandon R Briggs, Tathagata Ghosh, Srijan Aggarwal, Fahimeh Dehghani
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-lxgvr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Conjugated Imine Polymer Synthesized via Step-Growth Metathesis for Highly Stable Silicon Nanoparticle Anodes in Lithium-Ion Batteries

, Authors: Trevor Martin, Leah Rynearson, Mackenzie Kuller, Joseph Quinn, Chongmin Wang, Brett Lucht, Nathan Neale
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-bphpr
 
Subject: Chemistry
,
Working Paper
, Title:

Origin of Photoluminescence, Exciton Binding Energy, Exciton-Phonon interaction, and Urbach Energy in γ-CsPbI3 Nanoparticles.

, Authors: Daniel Gau, Isabel Galain, Ivana Aguiar, Ricardo Marotti
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-3w06g
 
Subject: Chemistry
,
Working Paper
, Title:

Overcoming the Limitations of Kolbe Coupling via Waveform-Controlled Electrosynthesis

, Authors: Yuta Hioki, Matteo Costantini, Jeremy Griffin, Kaid Harper, Melania Prado Merini, Benedikt Nissl, Yu Kawamata, Phil Baran
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-3cj82-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Nanoporous metal oxide functionalized carbon sorbent for carbon dioxide capture

, Authors: Ali Sekizkardes, Ping Wang, Patrick Muldoon, Nicholas Means, Victor Kusuma, John Baltrus, Bret Howard, James Hoffman, Janice Steckel, David Hopkinson
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-d409h
 
Subject: Chemistry
,
Working Paper
, Title:

Kohn-Sham Time-Dependent Density Functional Theory on the Massively Parallel Graphics Processing Units

, Authors: Young Min Rhee, Inkoo Kim, Daun Jeong, Won-Joon Son, Hyungjin Kim, Yongsik Jung, Hyeonho Choi, Jinkyu Yim, Inkook Jang, Dae Sin Kim
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-th77p
 
Subject: Chemistry
,
Working Paper
, Title:

Second-order Phase Transition Behavior behind Polymer Glass Transition

, Authors: Mitsuru Ishikawa, Taihei Takahashi, Yu-ichiro Hayashi, Maya Akashi, Takayuki Uwada
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2021-66w4j-v8
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanical Force Enables an Anomalous Dual Ring-Opening Re-action of Naphthodipyran

, Authors: Molly E. McFadden, Skylar K. Osler, Yan Sun, Maxwell J. Robb
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-f8mh3
 
Subject: Chemistry
,
Working Paper
, Title:

Band Inversion-Driven Warping and High Valley Degeneracy

, Authors: Michael Toriyama, G. Jeffrey Snyder
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-73gtk
 
Subject: Chemistry
,
Working Paper
, Title:

Structure and Bonding Patterns in Heterometallic Organometallics with Short and Rare Ln-Pd Distances

, Authors: Valeriu Cemortan, Thomas Simler, Jules Moutet, Arnaud Jaoul, Carine Clavaguera, Gregory Nocton
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-n4fbb
 
Subject: Chemistry
,
Working Paper
, Title:

Density matrix via few dominant observables for the ultrafast non-radiative decay in pyrazine

, Authors: Ksenia Komarova
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-vb60d
 
Subject: Chemistry
,
Working Paper
, Title:

Data-centric heterogeneous catalysis: identifying rules and materials genes of alkane selective oxidation

, Authors: Lucas Foppa, Frederik Rüther, Michael Geske, Gregor Koch, Frank Girgsdies, Pierre Kube, Spencer Carey, Michael Hävecker, Olaf Timpe, Andrey Tarasov, Matthias Scheffler, Frank Rosowski, Robert Schlögl, Annette Trunschke
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-xmg75
 
Subject: Chemistry
,
Working Paper
, Title:

A field-induced exchange flip in a spin linear trimer in a coordination polymer of cobalt and melamine

, Authors: Ignacio Bernabe Virseda, Alexander Prado-Roller, Michael Eisterer, Hidetsugu Shiozawa
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-vmm6q
 
Subject: Chemistry
,
Working Paper
, Title:

Characterisation of a newly available marine dissolved organic matter reference material (TRM-0522)

, Authors: Stacey Felgate, Alexander Craig, Lindon Moodie, Jeffrey Hawkes
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-3qwcj
 
Subject: Chemistry
,
Working Paper
, Title:

Disentangling the effect of pressure on a mechanochemical bromination reaction by solid-state NMR spectroscopy

, Authors: Ettore Bartalucci, Christian Schumacher, Leeroy Hendrickx, Francesco Puccetti, Igor d'Anciães Almeida Silva, Rıza Dervişoğlu, Rakesh Puttreddy, Carsten Bolm, Thomas Wiegand
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-zghv6
 
Subject: Chemistry
,
Review
, Title:

Upgrading the Detection of Electrocatalyst Degradation During the Oxygen Evolution Reaction

, Authors: Marcel Risch
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-n13fz
 
Subject: Chemistry
,
Working Paper
, Title:

An Image Based 3D Modelling Framework for Li-S Batteries

, Authors: Xiaoyu Dai, Nivedita Kulkarni, James B. Robinson, Dan J.L. Brett, Paul R. Shearing, Rhodri Jervis
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-2ktc5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

CoPriNet: Graph Neural Networks provide accurate and rapid compound price prediction for molecule prioritisation.

, Authors: Ruben Sanchez-Garcia, Dávid Havasi, Gergely Takács, Matthew C. Robinson, Alpha Lee, Frank von Delft, Charlotte M. Deane
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-gvk2k-v6
 
Subject: Chemistry
,
Review
, Title:

Re-envisioning the Design of Nanomedicines: Harnessing Automation and Artificial Intelligence

, Authors: Jonathan Zaslavsky, Pauric Bannigan, Christine Allen
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-w6fms
 
Subject: Chemistry
,
Working Paper
, Title:

The hydroamination of TIPS-C≡C-SF5 – A bench-top route to pentafluorosulfanylated enamines

, Authors: Jonas Oliver Wenzel, Fabian Jester, David Rombach
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-brg1w
 
Subject: Chemistry
,
Working Paper
, Title:

Atom-in-SMILES tokenization

, Authors: Umit Volkan Ucak, Islambek Ashyrmamatov, Juyong Lee
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-9xx75
 
Subject: Chemistry
,
Working Paper
, Title:

EPISOL: A Software Package with Expanded Functions to Perform 3D-RISM Calculations for the Solvation of Chemical and Biological Molecules

, Authors: Siqin Cao, Michael Kalin, Xuhui Huang
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-52cn3
 
Subject: Chemistry
,
Working Paper
, Title:

Thermal imaging and clandestine surveillance using low-cost polymers with long-wave infrared transparency

, Authors: Samuel Tonkin, Le Nhan Pham, Jason Gascooke, Martin Johnston, Michelle Coote, Christopher Gibson, Justin Chalker
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-bzzd3
 
Subject: Chemistry
,
Working Paper
, Title:

Molybdenum disulfide field-effect transistor biosensor for ultrasensitive detection of matrix metallopeptidase 9 (MMP9) gene

, Authors: huijuan li, shibin Liu, qingliang Feng, jie Tan, jiezhang Luo, yinghao Chen
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-6rhq8
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Responsive Plasmon Modulation in Dopant-Segregated Nanocrystals

, Authors: Bharat Tandon, Stephen L. Gibbs, Christopher Dean, Delia J. Milliron
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-k0fqg
 
Subject: Chemistry
,
Working Paper
, Title:

Copper-Catalyzed Enantioselective Synthesis of α-Aminoboronic Acid Derivatives

, Authors: Giuseppe Zuccarello, Suzanne M. Batiste, Hyungdo Cho, Gregory C. Fu
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-ds1lh
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Elements, Flavor Chemicals, and Nicotine in Unused and Used Electronic Cigarettes Aged 5-10 Years and Effects of pH

, Authors: Monique Williams, Wentai Luo, Kevin McWhirter, Omeka Ikegbu, Prue Talbot
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-rhg14
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanical Evaluation of Hydrogel-Elastomer Interfaces Generated Through Thiol-Ene Coupling

, Authors: Khai Nguyen, Stéphane Dejean, Benjamin Nottelet, Julien Gautrot
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-kwj88
 
Subject: Chemistry
,
Review
, Title:

Gold Photocatalysis in Sustainable Hydrogen Peroxide Generation

, Authors: Rohul Adnan, Aishah A Jalil
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-wzt1x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cycling Performance and Mechanistic Insights of Ferricyanide Electrolytes in Alkaline Redox Flow Batteries

, Authors: Maowei Hu, Abigail Wang, Tianbiao Liu, Jian Luo
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-lqms7-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Design and synthesis of orexin 1 receptor-selective agonists

, Authors: Keita Iio, Kao Hashimoto, Yasuyuki Nagumo, Mao Amezawa, Taisei Hasegawa, Naoshi Yamamoto, Noriki Kutsumura, Katsuhiko Takeuchi, Yukiko Ishikawa, Masashi Yanagisawa, Hiroshi Nagase, Tsuyoshi Saitoh
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-fxx2d
 
Subject: Chemistry
,
Working Paper
, Title:

A Concise Total Synthesis of (±)-Stepharine and (±)-Pronuciferine

, Authors: Ruiming Chen, Shihu Jia, Yuning Man, Hong-Gang Cheng, Qianghui Zhou
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-rk11z
 
Subject: Chemistry
,
Working Paper
, Title:

Bridging Nanocrystals to Robust, Multifunctional, Bulk Materials through Nature-Inspired, Hierarchical Design

, Authors: Alexander Plunkett, Kaan Temiz, Chad Warren, Valea Wisniewski, Kaline P. Furlan, Javier Garay, Diletta Giuntini, Berta Domènech, Gerold A. Schneider
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-mxtm4
 
Subject: Chemistry
,
Working Paper
, Title:

On accelerating reaction optimization using computational Gibbs energy barriers: A numerical consideration utilizing a computational dataset

, Authors: Hiroaki Okada, Satoshi Maeda
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-m025c
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Testing of Analogs of the Tuberculosis Drug SQ109 Against Bacteria and Protozoa: Identification of Lead Compounds Against Mycobacterium abscessus and Malaria

, Authors: Marianna Stampolaki, Satish Malwal, Nadine Alvarez, Zijun Gao, Mohammad Moniruzzaman, Svitlana Babii, Nikolaos Naziris, André Rey-Cibati, Mariana Valladares-Delgado, Andreea Turcu, Kyung-Hwa Baek, Hyeryon Lee, Matthéo Alcaraz, Savannah Watson, Mariëtte van der Watt, Dina Coertzen, Natasa Efstathiou, Ioannis Stylianakis, Maria Chountoulesi, Carolyn Schoen, Ioannis Papanastasiou, José Brea, Michael Cynamon, Lyn-Marie Birkholtz, Laurent Kremer, Joo Hwan No, Santiago Vazquez, Gustavo Benaim, Costas Demetzos, Helen Zgurskaya, Thomas Dick, Eric Oldfield, Antonios Kolocouris
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-xm94p
 
Subject: Chemistry
,
Review
, Title:

Ammonia - A Step Away from Traditional Fuels

, Authors: Dhairya Mittal, Aaftaab Sethi
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.26434/chemrxiv-2022-mccfz
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Female Representation in Legislative Committees and Perceptions of Legitimacy: Evidence from a Harmonized Experiment in Jordan, Morocco, and Tunisia

, Authors: Kristen Kao, Ellen Lust, Marwa Shalaby, Chagai Weiss
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.33774/apsa-2022-3bnth-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Pedagogical Utility of Science Fiction & The Neither Impossible nor Possible Universe of The Expanse

, Authors: Jiun Bang
Version undefined posted 31 October 2022
Posted
Oct 31, 2022
10.33774/apsa-2022-nwntp
 
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