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Category: Nanoscience
,
Working Paper
, Title:

Signal-Processing and Adaptive Prototissue Formation in Metabolic DNA Protocells

, Authors: Avik Samanta, Maximilian Hörner, Wei Liu, Wilfried Weber, Andreas Walther
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2021-0dzzl-v2
 
Category: Catalysis
,
Working Paper
, Title:

A formal (3+2) cycloaddition strategy toward 2-azanorbornanes

, Authors: Anthony Allen, Annika Tharp, Corey Stephenson
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-42h36
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

Racemic and Meso Diastereomers of a P-Chirogenic Diboranyldiphosphinoethane

, Authors: Brady Austen, Harvey Sharma, Joseph Zurakowski, Marcus Drover
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-p08rn
 
Category: Organic Chemistry
,
Working Paper
, Title:

Squarephaneic Tetraanhydride: A Conjugated Square-Shaped Cyclophane for the Synthesis of Porous Organic Materials

, Authors: Simon Eder, Daisy B. Thornton, Bowen Ding, Darlene Sammut, Andrew J. P. White, Felix Plasser, Ifan E. L. Stephens, Martin Heeney, Stefano Mezzavilla, Florian Glöcklhofer
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-p4p5d
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Putative G-quadruplex Formation in the Upstream Region of mTOR Gene

, Authors: Jyotirmayee Dash, Khushnood Fatma, Puja Saha, Tania Das
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-sfsd4-v2
 
Category: Materials Science
,
Working Paper
, Title:

The role of organic cations as additives in photovoltaic perovskites.

, Authors: alejandra tayde cadillo, alejandra vargas, arian roa, Andres M. Garay-Tapia
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-mfmc5
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

The covalent reactivity of functionalized 5-hydroxy-butyrolactams is the basis for targeting of fatty acid binding protein 5 (FABP5) by the neurotrophic agent MT-21

, Authors: Esben Svenningsen, Rasmus Ottosen, Katrine Jørgensen, Marija Nisavic, Camilla Larsen, Bente Hansen, Yong Wang, Kresten Lindorff-Larsen, Thomas Tørring, Stephan Hacker, Johan Palmfeldt, Thomas Poulsen
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-knt5m
 
Category: Physical Chemistry
,
Working Paper
, Title:

How very small changes in the peptide sequence of β-amyloids influence their redox properties. Electrochemical studies of copper complexes with Aβ(11-16) and pAβ(11-16)

, Authors: Magdalena Zofia Wiloch, Martin Jönsson-Niedziółka
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-vz4cg-v2
 
Category: Analytical Chemistry
,
Review
, Title:

Metabolomics of Non-Saccharomyces Yeasts in Fermented Beverages

, Authors: Daniel Ellis, Edward Kerr, Gerhard Schenk, Benjamin Schulz
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-gf5dz
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Novel dual-motor nanorotator assembled by cyclo[18]carbon and figure-eight carbon hoop

, Authors: Zeyu Liu, Xia Wang, Tian Lu, Jiaojiao Wang, Mengdi Zhao, Xiufen Yan
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-lb0dt
 
Category: Polymer Science
,
Working Paper
, Title:

Chiral and Achiral Pendant-Bound Poly(biphenylylacetylene)s Bearing Amide and/or Carbamate Groups: One-Handed Helix Formations and Chiral Recognition Abilities

, Authors: Tomoyuki Ikai, Shogo Okuda, Motoki Aizawa, Eiji Yashima
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-kzrzz
 
Category: Materials Science
,
Working Paper
, Title:

Growth of silicon carbide multilayers with varying preferred growth orientation

, Authors: Jing-Jia Huang, Christian Militzer, Charles Wijayawardhana, Urban Forsberg, Henrik Pedersen
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-c0md8
 
Category: Polymer Science
,
Working Paper
, Title:

Understanding the Aggregation and Flow Response of Donor-Acceptor Conjugated Polymers

, Authors: Justin Kwok, Giridar Vishwanathan, Kyung Sun Park, Bijal Patel, Dongqi Zhao, Gabriel Juarez, Ying Diao
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-1nvnj
 
Category: Organic Chemistry
,
Working Paper
, Title:

Efficient and Site-Specific C–H Hydroxylation of Enones via a New Mechanism Useful for the Late-Stage Functionalization of Drugs and Natural Products

, Authors: Cheng-Yu Zheng, Jian-Min Yue
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-p2h8r
 
Category: Organic Chemistry
,
Working Paper
, Title:

Expedient Synthesis of a Library of Heparan Sulfate Like “Head to Tail” Linked Multimers for Structure and Activity Relationship Studies

, Authors: Jicheng Zhang, Li Liang, Weizhun Yang, Sherif Ramadan, Kedar Baryal, Chang-xin Huo, Jamie Bernard, Jian Liu, Linda Hsieh-wilson, Fuming Zhang, Robert Linhardt, Xuefei Huang
Version undefined posted 01 July 2022
Posted
Jul 01, 2022
10.26434/chemrxiv-2022-m03tb-v2
 
Category: Materials Science
,
Working Paper
, Title:

AlInP(001) surface structure and electronic properties

, Authors: Luis Joel Glahn, Isaac Azahel Ruiz Alvarado, Sergej Neufeld, Mohammad Amin Zare Pour, Agnieszka Paszuk, David Ostheimer, Sahar Shekarabi, Oleksandr Romanyuk, Dominik Christian Moritz, Jan Philipp Hofmann, Wolfram Jaegermann, Thomas Hannappel, Wolf Gero Schmidt
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-mt165-v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Crystal Structure and Conformational Dynamics of Pyrococcus furio- sus Prolyl Oligopeptidase

, Authors: Ken Ellis-Guardiola, Huan Rui, Ryan Beckner, Poonam Srivastava, Narayanasami Sukumar, Benoît Roux, Jared C. Lewis
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-878t5-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

On the prospects of optical cycling in diatomic cations: Effects of transition metals, spin-orbit couplings, and multiple bonds

, Authors: Paweł Wójcik, Eric R. Hudson, Anna I. Krylov
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-ztpbc-v3
 
Category: Materials Science
,
Working Paper
, Title:

Texture evolution in rhombohedral boron carbide films grown on 4H-SiC(𝟎𝟎𝟎𝟏̅) and 4H-SiC(0001) substrates by chemical vapor deposition

, Authors: Laurent Souqui, Sachin Sharma, Hans Högberg, Henrik Pedersen
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-1r67k
 
Category: Analytical Chemistry
,
Working Paper
, Title:

‘Omic-scale quantitative HILIC-MS/MS approach for circulatory lipid phenotyping in clinical research

, Authors: Jessica Medina, Rebecca Borreggine, Tony Teav, Liang Gao, Shanshan Ji, Justin Carrard, Christina Jones, Niek Blomberg, Martin Jech, Alan Atkins, Claudia Martins, Arno Schmidt-Trucksass, Martin Giera, Amaury Cazenave-Gassiot, Hector Gallart Ayala, Julijana Ivanisevic
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-xk9wv
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

KVIK Optimiser - An Enhanced ReaxFF Force Field Training Approach

, Authors: Daniel Gaissmaier, Matthias van den Borg, Donato Fantauzzi, Timo Jacob
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-lrsjd-v2
 
Category: Materials Chemistry
,
Working Paper
, Title:

Flexible organic crystals. Understanding the tractable co-existence of elastic and plastic bending

, Authors: SUNIL VARUGHESE, PhD, Krzysztof Woźniak, Indira S. Divya, Kandasamy Saravanan, Toshiyuki Sasaki, Hideko Koshima, Shodai Hasebe
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-1s760-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

A combined XPS and computational study of the chemical reduction of BMP-TFSI by lithium

, Authors: Katrin Forster-Tonigold, Florian Buchner, Joachim Bansmann, R. Jürgen Behm, Axel Gross
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-mpb1w
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Human-in-the-loop assisted de novo molecular design

, Authors: Iiris Sundin, Alexey Voronov, Haoping Xiao, Kostas Papadopoulos, Esben Jannik Bjerrum, Markus Heinonen, Atanas Patronov, Samuel Kaski, Ola Engkvist
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-7z27b
 
Category: Chemical Education
,
Working Paper
, Title:

Systematic Treatment of Acid-Base Equilibria: An Unexpected Application of the Negative Root in Solving the pH of a Diluted Strong Acid or Base Solution

, Authors: Gabriel Unger, CHONG QIU
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-db4cl
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Metal-support interactions in molecular single-site cluster catalysts

, Authors: Benjamin S. Mitchell, Andrei Chirila, Jonathan A. Kephart, Andrew C. Boggiano, Sebastian M. Krajewski, Dylan Rogers, Werner Kaminsky, Alexandra Velian
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-p3nsg
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Effects of sodium benzoate and heavy metals on biodegradation of 2,2',4,4'-tetrabromodiphenyl ether by Rhodococcus jostii RHA1

, Authors: Chunlei Wang, Teng Ma
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-3fklf
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Oxyl Character and Methane Hydroxylation Mechanism in Heterometallic M(O)Co3O4 Cubanes (M = Cr, Mn, Fe, Mo, Tc, Ru, Rh)

, Authors: Bastian Skjelstad, Trygve Helgaker, Satoshi Maeda, David Balcells
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-09wr7
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Chemical bonding in representative astrophysically relevant neutral, cation, and anion HCnH chains

, Authors: Ioan Baldea
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-h0pzl
 
Category: Materials Chemistry
,
Working Paper
, Title:

Synthesis of End-Cap Enabled Self-Immolative Photoresists for Extreme Ultraviolet Lithography

, Authors: Jingyuan Deng, Sean Bailey, Ruiwen Ai, Anthony Delmonico, Gregory Denbeaux, Shaoyi Jiang, Christopher Ober
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-1ps85
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Controlling superselectivity of multivalent interactions with cofactors and competitors

, Authors: Tine Curk, Galina V. Dubacheva, Alain R. Brisson, Ralf P. Richter
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-tkxgk
 
Category: Energy
,
Working Paper
, Title:

Thermal Enhancement of Product Conductivity Permits Deep Discharge in Solid State Li-O2 Batteries

, Authors: Alexander A. Delluva, Jonas Kulberg-Savercool, Adam Holewinski
Version undefined posted 04 July 2022
Posted
Jul 04, 2022
10.26434/chemrxiv-2022-cj0tb
 
Category: Materials Chemistry
,
Working Paper
, Title:

Photoinduced Amyloid Fibril Degradation for Controlled Cell Patterning

, Authors: Kübra Kaygisiz, Adriana Maria Ender, Jasmina Gačanin, Lara Alix Kaczmarek, Dimitrios A. Koutsouras, Abin N. Nalakath, Pia Winterwerber, Franz J. Mayer, Hans-Joachim Räder, Tomasz Marszalek, Paul W. M. Blom, Christopher V. Synatschke, Tanja Weil
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-68g56
 
Category: Physical Chemistry
,
Working Paper
, Title:

Combining Deep Eutectic Solvents with TEMPO-based Polymer Electrodes: Influence of Molar Ratio on Electrode Performance

, Authors: Matthias Uhl, Tanja Geng, Philipp A. Schuster, Benjamin W. Schick, Matthias Kruck, Alexander Fuoss, Alexander J. C. Kuehne, Timo Jacob
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-qj35z-v2
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Competitive Adsorption and Reaction at the Air-Water Interface studied by Iodide Ozonolysis in Microdroplets

, Authors: Alexander Prophet, Kevin Wilson
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-pjfdf
 
Category: Materials Chemistry
,
Review
, Title:

Nuclear Magnetic Resonance Studies of Carbon Dioxide Capture

, Authors: Suzi Pugh, Alexander Forse
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-3v785
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

A ferromagnetically coupled pseudo-calixarene [Co16] wheel that self-assembles as a tubular network of capsules

, Authors: Euan Brechin, Pinelopi Tsami, Thomais Tziotzi, Angelos Canaj, Mukesh Singh, Scott Dalgarno, Constantinos Milios
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-k78lh
 
Category: Materials Chemistry
,
Working Paper
, Title:

Characterisation of intergrowth in metal oxide materials using structure-mining: the case of γ-MnO2

, Authors: Nicolas Magnard, Andy S. Anker, Andrea Kirsch, Kirsten M. Ø. Jensen
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-rk7tp
 
Category: Nanoscience
,
Working Paper
, Title:

Unexpected reversal of reactivity in organic functionalities when immobilized together in a metal-organic framework (MOF)

, Authors: Pricilla Matseketsa, Donovan Mafukidze, Lahiru Pothupitiya, Boris Averkiev, Tendai Gadzikwa
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-3w4jg
 
Category: Catalysis
,
Working Paper
, Title:

Nickel-Catalyzed Electro-Reductive Cross-Coupling of Aliphatic Amides with Alkyl Halides as a Strategy for Dialkyl Ketone Synthesis: Scope and Mechanistic Investigations

, Authors: Taline Kerackian, Didier Bouyssi, Guillaume Pilet, Maurice Médebielle, Nuno Monteiro, Julien Vantourout, Abderrahmane Amgoune
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-mbqs6
 
Category: Organic Chemistry
,
Working Paper
, Title:

Methylation Confers Accessibility, Stability and Selectivity to Picrotoxinin

, Authors: Guanghu Tong, Samantha Griffin, Avery Sader, Anna Crowell, Ken Beavers, Jerry Watson, Zachary Buchan, Shuming Chen, Ryan Shenvi
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-0l4nt
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state

, Authors: Nils Edvin Richard Zimmermann, Gabriela Guevara-Carrion, Jadran Vrabec, Niels Hansen
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-56xw9-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

α-Xanthyl Cyclopentenones and Cyclohexenones: New, Highly Versatile Building Blocks

, Authors: Bartosz Bieszczad, Xuan Chen, Samir Z. Zard
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-s05s9
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Enantioselective fullerene functionalization via traceless stereochemical information transfer from a self-assembled cage

, Authors: Zifei Lu, Tanya Ronson, Andrew Heard, Sascha Feldmann, Nicolas Vanthuyne, Alexandre Martinez, Jonathan Nitschke
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-l5zk8-v2
 
Category: Catalysis
,
Working Paper
, Title:

IntEnzyDB: an Integrated Structure-Kinetics Enzymology Database

, Authors: Bailu Yan, Xinchun Ran, Anvita Gollu, Zihao Cheng, Xiang Zhou, Yiwen Chen, Zhongyue Yang
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-k1n52
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes?

, Authors: Olga Bokareva, Patrick Zobel, Ayla Kruse, Omar Baig, Stefan Lochbrunner, Leticia Gonzalez, Oliver Kühn, Sergey Bokarev
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-1wjbt
 
Category: Organic Chemistry
,
Working Paper
, Title:

Photoinduced Concerted Dual Single-bond Rotation of a Nitrogen-containing System Realized by Chalcogen Substitution

, Authors: Shotaro Nagami, Akira Katsuyama, Rintaro Kaguchi, Tohru Taniguchi, Kenji Monde, Satoshi Ichikawa
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-4hq5r
 
Category: Catalysis
,
Working Paper
, Title:

Oxidative con-PET Catalysis for Arene Functionalization

, Authors: Bartosz Bieszczad, Tobias Karl, Alessa Rolka, Patrick Nuernberger, Roger Kutta, Burkhard Koenig
Version undefined posted 05 July 2022
Posted
Jul 05, 2022
10.26434/chemrxiv-2022-39x5l
 
Category: Energy
,
Review
, Title:

Unraveling the Translational Exchange between Academic Research and product Scale-up for disruptive technologies: Critical Comments on Devices and path forward.

, Authors: Sukanta Nandi, Raaghesh Vijayan, Manjeet Chhetri
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-9g3qb
 
Category: Nanoscience
,
Working Paper
, Title:

FAIR assessment of nanosafety data reusability with community standards

, Authors: Ammar Ammar, Chris Evelo, Egon Willighagen
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-l8vk8-v2
 
Category: Materials Science
,
Working Paper
, Title:

Anisotropic MXene@Wood Composites for Tunable Electromagnetic Interference Shielding

, Authors: Yuyi Wei, Zhenhua Dai, Yanfei Zhang, Weiwei Zhang, Chuanshuang Hu, Xiuyi Lin
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-1jt91
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Large-scale synthesis of Notum inhibitor 1-(2,4-dichloro-3-(trifluoromethyl)-phenyl)-1H-1,2,3-triazole (ARUK3001185) employing a modified Sakai reaction as the key step

, Authors: Benjamin N. Atkinson, Nicky J. Willis, Jennifer Smith, Rebecca Gill, Jody Ali, Zhou Xu, Ping-Shan Lai, Paul V. Fish
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-4vzgh
 
Category: Nanoscience
,
Working Paper
, Title:

A quality by design approach for the synthesis of palmitoyl carnitine loaded nanoemulsions as drug delivery systems

, Authors: Eva María Arroyo Urea, María Muñoz Hernando, Marta Leo Barriga, Fernando Herranz, Ana Gonzalez Paredes
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-ssh16
 
Category: Catalysis
,
Working Paper
, Title:

How to Dope the Basal Plane of 2H-MoS2 to Boost the Hydrogen Evolution Reaction?

, Authors: Nawras Abidi, Audrey Bonduelle-Skrzypczak, Stephan N. Steinmann
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-hqgjv-v2
 
Category: Materials Science
,
Working Paper
, Title:

Exploring the effects of processing methods on telmisartan-phospholipid complex: A comparative study

, Authors: Mahendra Singh, Charan Singh, Sarasija Suresh, Sabyasachi Roy, Uttam Chand Banerjee
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-4w95p
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Reversible O–O Bond Scission and O2 evolution at MOF-supported Tetramanganese Clusters

, Authors: Xin He, Tzuhsiung Yang, Andrei Iliescu, Maxx Arguilla, Tianyang Chen, Heather Kulik, Mircea Dinca
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-14g3n
 
Category: Catalysis
,
Working Paper
, Title:

Isocyanate-free Polyurea Synthesis via Ru-Catalyzed Car-bene Insertion into the N‒H Bonds of Urea

, Authors: Felix J. de Zwart, Petrus C. M. Laan, Nicole S. van Leeuwen, Ning Yan, Jitte Flapper, Keimpe J. van den Berg, Joost N. H. Reek, Bas de Bruin
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-xsrbn
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Direct Observation of Peptide Hydrogel Self-Assembly

, Authors: Zoë Adams, Erika Olson, Zhengwen Lian, Audrey Kim, Matthew Holcomb, Jörg Zimmermann, Ramkrishna Adhikary, Philip Dawson
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2021-6wbv4-v2
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

A π-conjugated N-containing compound as a high-capacity cathode for fast aqueous and flexible Zn-ion batteries

, Authors: Qi Liu, Xiaojuan Chen, Haoqi Su, Baozhu Yang, Xiaocen Liu, Xiuting Song, Lixin Su, Gui Yin
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-flz34
 
Category: Catalysis
,
Working Paper
, Title:

Pd–H species on electrode stabilized by solvent co-adsorption: Observation by operando IR spectroscopy

, Authors: Junko N. Kondo, Shuo Ge, Tomohiro Suzuki, Ryota Osuga, Takeshi Matsumoto, Toshiyuki Yokoi, Yugo Shimizu, Atsushi Fukazawa, Naoki Shida, Mahito Atobe
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-3gfbx
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Acetoxymethyl-BODIPY Dyes: A Universal Platform for the Fluorescence Labeling of Nucleophiles

, Authors: Alberto Blazquez-Moraleja, Larissa Maierhofer, Enrique Mann, Ruth Prieto-Montero, Ainhoa Oliden-Sanchez, Lucia Celada, Virginia Martinez-Martinez, Maria-Dolores Chiara, Jose Luis Chiara
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-46vsh-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Stereoselective Synthesis of 2-Oxyenamides

, Authors: Sara-Cathrin Krieg, Jennifer Grimmer, Annika Maria Pick, Harald Kelm, Martin Breugst, Georg Manolikakes
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-59zzw-v2
 
Category: Energy
,
Working Paper
, Title:

Gaussian Processes for the Analysis of Electrochemical Impedance Spectroscopy Data: Prediction, Filtering, and Active Learning

, Authors: Baptiste Py, Adeleke Maradesa, Francesco Ciucci
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-rs2m8
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Assessing Deep Generative Models in Chemical Composition Space

, Authors: Hanna Türk, Elisabetta Landini, Christian Kunkel, Johannes T. Margraf, Karsten Reuter
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-glxvs
 
Category: Organic Chemistry
,
Working Paper
, Title:

Reaction impurity prediction using a data mining approach

, Authors: Adarsh Arun, Zhen Guo, Simon Sung, Alexei Lapkin
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-0btmt
 
Category: Catalysis
,
Working Paper
, Title:

Why do sulfone-containing polymer photocatalysts work so well for sacrificial hydrogen evolution from water?

, Authors: Sam A. J. Hillman, Reiner Sebastian Sprick, Drew Pearce, Duncan Woods, Wai-Yu Sit, Xingyuan Shi, Andrew I. Cooper, James R. Durrant, Jenny Nelson
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-g19mw-v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

A High-Sensitivity Rapid Acquisition Spectrometer for Lanthanide(III) Luminescence

, Authors: Patrick R. Nawrocki, Villads M. R. Nielsen, Thomas Just Sørensen
Version undefined posted 06 July 2022
Posted
Jul 06, 2022
10.26434/chemrxiv-2022-14fwm
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel halogen and methoxy ring-disubstituted tert-butyl phenylcyanoacrylates

, Authors: Mariyah H. AbdurRahman, Kumayl K. Ahmed, Sarrah Asgarali, Jennifer E. Blackburn, Sonja G. Collins, Alexander Eremin, Riley Hrasky, Kent D. Le-Vu, Karina Lopez, Sara M. Schjerven, Nicholas M. Tassone, Gregory B. Kharas
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-zv8m4
 
Category: Catalysis
,
Working Paper
, Title:

Enzyme-Graphene Nanometal biohybrid Architectures as Highly Efficient Multifunctional Catalysts for Cascade Reactions

, Authors: Noelia Losada-Garcia, Esteban Urriolabeitia, Jose M. Palomo
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-w2lhd
 
Category: Catalysis
,
Working Paper
, Title:

Carbon dioxide fixation in RuBisCO is protonation state dependent and irreversible

, Authors: Oscar Douglas-Gallardo, Juliana Murillo, Javier Oller, Adrian Mulholland, Esteban Vöhringer-Martinez
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-b8rzb-v2
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

A Synthetic Cycle for Heteroarene Synthesis by Nitride Insertion

, Authors: Patrick Kelly, Alexander Filatov, Mark Levin
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-1x9rq
 
Category: Materials Chemistry
,
Working Paper
, Title:

Ultrasensitive Surface–Enhanced Raman Spectroscopy Detection by Porous Silver Supraparticles from Self–lubricating Drop Evaporation

, Authors: Tulsi Satyavir Dabodiya, Somasekhara Goud Sontti, Zixiang Wei, Qiuyun Lu, Romain Billet, Arumugam Vadivel Murugan, Xuehua Zhang
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-nhm64
 
Category: Catalysis
,
Working Paper
, Title:

Tuning Ionic Screening to Accelerate Electrochemical CO2 Reduction in Ionic Liquid Electrolytes

, Authors: Beichen Liu, Wenxiao Guo, Matthew Gebbie
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-k8ws1-v3
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Controlling the Separation of Native Proteins With Temperature in Thermal Gel Transient Isotachophoresis

, Authors: Shakila Peli Thanthri, Thomas Linz
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-r1tw6
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Metabolites of Cannabigerol (CBG) Generated by Human Cytochrome P450s are Bioactive

, Authors: Pritam Roy, David G. Dennis, Mark D. Eschbach, Shravanthi D. Anand, Fengyun Xu, Jonathan Maturano, Judith Hellman, David Sarlah, Aditi Das
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-nq47c
 
Category: Catalysis
,
Review
, Title:

Industrial potential of the enzymatic synthesis of nucleoside analogs: Existing challenges and perspectives

, Authors: Sarah Westarp, Felix Kaspar, Peter Neubauer, Anke Kurreck
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-x5hm9-v2
 
Category: Materials Chemistry
,
Working Paper
, Title:

Materials discovery and design limits in MDABCO perovskites

, Authors: Samuel D. Gale, Harry J. Lloyd, Louise Male, Mark R. Warren, Lucy K. Saunders, Paul A. Anderson, Hamish Yeung
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-tbtb8-v2
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Long Story Short: Donor Set Symmetry in Eu(DOTA) Crystals Determines the Electronic Structure

, Authors: Maria Storm Thomsen, Helene O B Andersen, Thomas Just Sørensen
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-56w2r
 
Category: Organic Chemistry
,
Working Paper
, Title:

Biocatalytic cascades towards iminosugar scaffolds reveals promiscuous activity of shikimate dehydrogenases

, Authors: Christopher Swanson, Grayson Ford, Ashley Mattey, Lea Gourbeyre, Sabine Flitsch
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-4zzq4
 
Category: Catalysis
,
Working Paper
, Title:

G-type Halohydrin Dehalogenases Catalyze Ring Opening Reactions of Cyclic Epoxides with Diverse Anionic Nucleophiles

, Authors: Jennifer Solarczek, Felix Kaspar, Pia Bauer, Anett Schallmey
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-jl3gd
 
Category: Catalysis
,
Working Paper
, Title:

Development of a Universal NADH Detection Assay for High Throughput Enzyme Evolution Using Fluorescence Activated Droplet Sorting

, Authors: Gerassimos Kolaitis, Ankit Jain, Dennis Romeis, Tomas Buryska, Matthias Steiger, Lena Wuerstl, Manuel Doering, Barbara Beer, Stavros Stavrakis, Andrew deMello, Volker Sieber
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-jvg5j
 
Category: Theoretical and Computational Chemistry
,
Review
, Title:

Anti-Kasha Fluorescence in Molecular Entities: The Central Role of the Electron-Vibrational Coupling

, Authors: Koen Veys, Daniel Escudero
Version undefined posted 07 July 2022
Posted
Jul 07, 2022
10.26434/chemrxiv-2022-4ngk1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Trade-off between redox potential and strength of electrochemical CO2 capture in quinones

, Authors: Anna T. Bui, Niamh A. Hartley, Alex J. W. Thom, Alexander C. Forse
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-8zt6r-v3
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Electronic Energy Levels and Optical Transitions in Samarium(III) Solvates

, Authors: Sabina Svava Mortensen, Malthe Asmus Marciniak Nielsen, Patrick R Nawrocki, Thomas Just Sørensen
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-6btc7
 
Category: Organic Chemistry
,
Working Paper
, Title:

Computer Vision for Kinetic Analysis of Lab- and Process-scale Mixing Phenomena

, Authors: Henry Barrington, Alan Dickinson, Jake McGuire, Chunhui Yan, Marc Reid
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-3911h
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Pillar[6]MaxQ: A Potent Supramolecular Host for In Vivo Sequestration of Methamphetamine and Fentanyl

, Authors: Adam Brockett, Weijian Xue, Chun-Lin Deng, Canjia Zhai, Michael Shuster, David King, Shivangi Rastogi, Volker Briken, Matthew Roesch, Lyle Isaacs
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-0nfz0
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes

, Authors: Mirko Paulikat, Daniele Vitone, Florian K. Schackert, Nils Schuth, Alessandra Barbanente, GiovanniMaria Piccini, Emiliano Ippoliti, Giulia Rossetti, Adam H. Clark, Maarten Nachtegaal, Michael Haumann, Holger Dau, Paolo Carloni, Silvano Geremia, Rita De Zorzi, Liliana Quintanar, Fabio Arnesano
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-d9pjp-v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Thermal Transport in Citrate-Capped Gold Interfaces using a Polarizable Force Field

, Authors: Sydney A. Shavalier, J. Daniel Gezelter
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-7xp7g
 
Category: Catalysis
,
Working Paper
, Title:

Electrocatalytic Radical-Polar Crossover Hydroetherification of Alkenes with Phenols

, Authors: Steve Park, Jieun Jang, Kwangmin Shin, Hyunwoo Kim
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-9pjmw-v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Organelle-selective membrane labeling through PLD-mediated transphosphatidylation

, Authors: Din-Chi Chiu, Jeremy M. Baskin
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-4wj4j
 
Category: Nanoscience
,
Working Paper
, Title:

High Humidity Shaker Aging to Access Chitin and Cellulose Nanocrystals

, Authors: Tony Jin, Tracy Liu, Faezeh Hajiali, Madison Santos, Yali Liu, Davis Kurdyla, Sophie Regnier, Sabahudin Hrapovich, Edmond Lam, Audrey Moores
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-jfvdk-v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Natural complex mixtures unequivocally defined in formulae difference space

, Authors: Anastasia Sarycheva, Irina V. Perminova, Eugene N. Nikolaev, Alexander Zherebker
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-4pw2n
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Using Genetic Algorithms to Discover Novel Ground- State Triplet Conjugated Polymers

, Authors: Omri Abarbanel, Geoffrey Hutchison
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-g5qfr
 
Category: Organic Chemistry
,
Working Paper
, Title:

aDim-aDmoc Protection for ODN Synthesis Allows Deprotection under Non-nucleophilic and Nearly Neutral Conditions

, Authors: Komal Chillar, Adikari Eriyagama, Yipeng Yin, Shahien Shahsavari, Bhaskar Halami, Alexander Apostle, Shiyue Fang
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-z1s7c
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Quality over quantity: Sampling high probability rare events with the Weighted Ensemble algorithm

, Authors: Nicole Roussey, Alex Dickson
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-25jxb
 
Category: Materials Science
,
Working Paper
, Title:

Bioderived Ionic Liquids with Alkaline Metal Ions for Biodegradable Electrochemical Devices

, Authors: Shunsuke Yamada
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-d5jv3
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

A computational bird's eye view of redox reactivity in the formation of cysteine-lysine covalent linkages

, Authors: Jin Ye, Sophia Bazzi, Tobias Fritz, Ricardo A. Mata, Jon Uranga
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-x4sq9
 
Category: Catalysis
,
Working Paper
, Title:

Photocatalytic activity and electron storage capability of TiO2 aerogels with adjustable surface area

, Authors: Alexandra Rose, Anja Hofmann, Pascal Voepel, Barbara Milow, Roland Marschall
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2021-vxkpq-v3
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

An Isolable Phosphaborene Stabilized by an Intramolecular Lewis Base

, Authors: Jiancheng Li, Yanbo Mei, Liu Leo Liu
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-1dd2h
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis and structure-activity relationship of Peptide Nucleic Acid Probes with improved Interstrand-Crosslinking abilities: Application to Biotin-mediated RNA-Pulldown

, Authors: Enrico Cadoni, Francesca Pennati, Penthip Muangkaew, Joke Elskens, Annemieke Madder, Alex Manicardi
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-t9vn8-v2
 
Category: Materials Chemistry
,
Working Paper
, Title:

Rationalising the difference in crystallisability of two Sulflowers using efficient in silico methods.

, Authors: Isaac Sugden, Nicholas Francia, Torsten Jensen, Claire Adjiman, Matteo Salvalaglio
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-ht3v5
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Shedding light on the enigmatic TcO2·xH2O structure with density functional theory and EXAFS spectroscopy

, Authors: Augusto F. Oliveira, Agnieszka Kuc, Thomas Heine, Ulrich Abram, Andreas C. Scheinost
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-rjndn
 
Category: Materials Science
,
Working Paper
, Title:

Controlling dendrite propagation in solid-state batteries with engineered stress

, Authors: Cole D. Fincher, Christos E. Athanasiou, Colin Gilgenbach, Michael Wang, Brian W. Sheldon, W. Craig Carter, Yet-Ming Chiang
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-0mmvj
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Identification and Characterization of Designer Phencyclidines (PCPs) in Forensic Casework

, Authors: Edward Sisco, Aaron Urbas
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-mmpps
 
Category: Energy
,
Working Paper
, Title:

Prototyping styles accelerate hardware development

, Authors: Erin Looney, Andre Buscariolli, Maria Yang, Geoffrey Raymond, Tonio Buonassisi, I. Marius Peters
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-k4dkg
 
Category: Energy
,
Working Paper
, Title:

Identification of Potential Solid-State Li-Ion Conductors with Semi-Supervised Learning

, Authors: Forrest A. L. Laskowski, Daniel B. McHaffie, Kimberly A. See
Version undefined posted 08 July 2022
Posted
Jul 08, 2022
10.26434/chemrxiv-2022-2m3qb
 
Category: Chemical Education
,
Working Paper
, Title:

Implementing an anonymized and scaffolded search at a primarily undergraduate institution

, Authors: Barbara Reisner, Donna Amenta, Daniel Blumling, Jill Hagmaier, Christine Hughey, Qingsheng Liu, Isaiah Sumner, Linette Watkins
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-39cff-v3
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-guest Binding: I. Standard Procedure

, Authors: Xiao Liu, Lei Zheng, Chu Qin, John Z.H. Zhang, Zhaoxi Sun
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-6zfjj
 
Category: Organic Chemistry
,
Review
, Title:

Translation of a phosphine- and azide-based reaction to chemical modification of biomolecules in ionic liquid

, Authors: Chiamaka Uzoewulu, Jun Ohata
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-k3rc1
 
Category: Chemical Education
,
Working Paper
, Title:

An Interactive Planetary Boundaries Systems Thinking Learning Tool to Integrate Sustainability into Chemistry Curriculum

, Authors: Robert P. MacDonald, Anna N. Pattison, Sarah E. Cornell, Ashley K. Elgersma, Sarah N. Greidanus, Sydney N. Visser, Melanie Hoffman, Peter G. Mahaffy
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-84bz2
 
Category: Organic Chemistry
,
Working Paper
, Title:

A new family of rigid C2-symmetric cleft molecules as potential medicinal chemistry scaffolds

, Authors: Marc Kimber, Gazalah Elgadi, Mark Elsegood, Miheal Patel, Paulo Netz, Tiago de Oliveira
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-pgg7r-v2
 
Category: Biological and Medicinal Chemistry
,
Review
, Title:

Scavengome of an Antioxidant

, Authors: Attila Hunyadi, Orinamhe Godwin Agbadua, Gergely Takács, György Tibor Balogh
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-jl7rs-v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Active learning guided drug design lead optimization based on relative binding free energy modeling

, Authors: Filipp Gusev, Evgeny Gutkin, Maria G. Kurnikova, Olexandr Isayev
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-krs1t
 
Category: Catalysis
,
Working Paper
, Title:

Dynamic Structural Evolution of [Rh(NO)2]+ Complex/Rh Metal Cluster in Zeolite during deNOx via In Situ Formed NH3 under Lean/Rich Periodic Conditions

, Authors: Shunsaku Yasumura, Taisetsu Kato, Yucheng Qian, Takashi Toyao, Zen Maeno, Ken-ichi Shimizu
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-j78bc
 
Category: Organic Chemistry
,
Working Paper
, Title:

Bioinspired peptide stapling with lanthionine ketenamine esters

, Authors: Richard Morewood, Christoph Nitsche
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-5jc53
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Electronic substitution effect on the ground and excited state properties of indole chromophore: A computational study

, Authors: Soumyadip Ray, Padmabati Mondal
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-97b0f
 
Category: Organic Chemistry
,
Working Paper
, Title:

Evaluation of the reaction mechanism between 1,4-dihydropyridines and α,β-unsaturated nitriles.

, Authors: David Adrian Saez, Stefan Vogt-Geisse, Esteban Vöhringer-Martinez
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-68sr0
 
Category: Analytical Chemistry
,
Working Paper
, Title:

An Approach to High Throughput Measurement of Accurate Retention Data in Liquid Chromatography

, Authors: Dwight Stoll, Gudrun Kainz, Tina Dahlseid, Trevor Kempen, Tyler Brau, Bob Pirok
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-pkqs1-v2
 
Category: Nanoscience
,
Working Paper
, Title:

High-quality AB bilayer graphene films by direct solar-thermal chemical vapor deposition

, Authors: Abdalla Alghfeli, Timothy Fisher
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-grc1b
 
Category: Organic Chemistry
,
Working Paper
, Title:

Reprogramming of the biosynthetic network of Daphniphyllum alkaloids into a chemically synthetic network through generalized biomimetic strategies

, Authors: Wenhao Zhang, Ming Lu, Lu Ren, Xiang Zhang, Peng Yang, Ang Li
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-j8fzb
 
Category: Polymer Science
,
Working Paper
, Title:

Design of Cellular Solids for Acoustic Noise Cancellation: A Multiphase Lattice Boltzmann Approach

, Authors: Rajat Zope, Pratyush Dayal
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-rc4wx
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Electron Paramagnetic Resonance for the Detection of Electrochemically Generated Hydroxyl Radicals: Issues Associated with Electrochemical Oxidation of the Spin Trap

, Authors: Emily Braxton, David Fox, Ben Breeze, Joshua Tully, Katherine Levey, Mark Newton, Julie Macpherson
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-mxq0n
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction

, Authors: Jialu Wu, Yue Wan, Zhenxing Wu, Shengyu Zhang, Dongsheng Cao, Chang-Yu Hsieh, Tingjun Hou
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-t6q61
 
Category: Materials Chemistry
,
Review
, Title:

1,3,5-Triazine-Functionalized Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes

, Authors: Dianming Sun, Changfeng Si, Tao Wang, Eli Zysman-Colman
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-pl4k2
 
Category: Catalysis
,
Review
, Title:

Activation of Hydrogen

, Authors: Xinchen HE, Quoc Bao Pham, Yi CHEN, Yuyao GUO
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-srhvk
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Probing Local Environments of Oxygen Vacancies Responsible for Hydration in Sc-doped Barium Zirconates at Elevated Temperatures: In Situ X-ray Absorption Spectroscopy, Thermogravimetry, and Active Learning Ab Initio Replica Exchange Monte Carlo Simulations

, Authors: Kenta Hoshino, Shusuke Kasamatsu, Junji Hyodo, Kentaro Yamamoto, Hiroyuki Setoyama, Toshihiro Okajima, Yoshihiro Yamazaki
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-wddg0
 
Category: Polymer Science
,
Working Paper
, Title:

Development of a Transferable Coarse-Grained Model of Polydimethylsiloxane

, Authors: Sonia Cambiaso, Giulia Rossi, Davide Bochicchio
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-sd5vw
 
Category: Physical Chemistry
,
Working Paper
, Title:

Interaction of imidazolium-based ionic liquids with supported phospholipid bilayers as model biomembranes

, Authors: Massimiliano Galluzzi, Lorenzo Marfori, Stefania Asperti, Alessandro De Vita, Matteo Giannangeli, Alessandro Caselli, Paolo Milani, Alessandro Podestà
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-vxl2s
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Comparability of Steroid Collision Cross Sections Using Three Different IM-HRMS Technologies: An Interplatform Study

, Authors: Max Feuerstein, Maykel Hernández-Mesa, Andrea Kiehne, Bruno Le Bizec, Stephan Hann, Gaud Dervilly, Tim Causon
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-87k68
 
Category: Nanoscience
,
Working Paper
, Title:

Cavity Polaritons formed from Spatially Separated Quasi-degenerate Porphyrin Excitons: Energetics and Structures of Bright and Dark States

, Authors: Aleksandr Avramenko, Aaron Rury
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-10jn7
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel halogen, methyl, and phenoxy ring-disubstituted tert-butyl phenylcyanoacrylates

, Authors: Kelly M. Coogan, Abigail E. Edwards, Javier Lozano, Wania Mahmood, Elizabeth Miller, Maia A. Palomar, James M. Sibert, Hajira Syeda, Peter J. Werderitch III, Mimi R. Withington, Sara M. Schjerven, Nicholas M. Tassone, Gregory B. Kharas
Version undefined posted 11 July 2022
Posted
Jul 11, 2022
10.26434/chemrxiv-2022-fjql2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Secondary Metabolites from Caulerpa Cylindracea (Sonder) Could Be Alternative Natural Antiviral Compounds for COVID-19: A Further in Silico Proof

, Authors: Levent Çavaş, Cengizhan Dag, Miguel Carmena-Bargueño, Carlos Martínez-Cortés, Horacio Pérez-Sánchez
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-47qj3-v3
 
Category: Catalysis
,
Working Paper
, Title:

C-H activation of indole-derivatives catalysed by Pd-nanobiohybrids under mild conditions

, Authors: Noelia Losada-Garcia, A. Sofia Santos, M. Manuel B. Marques, Jose M. Palomo
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-s9df5
 
Category: Organic Chemistry
,
Working Paper
, Title:

3-Selective Halogenation of Pyridines via Zincke Imine Intermediates

, Authors: Benjamin T. Boyle, Jeffrey N. Levy, Louis de Lescure, Robert S. Paton, Andrew McNally
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-88802-v3
 
Category: Catalysis
,
Working Paper
, Title:

Atomistic insights into activation and degradation of La0.6Sr0.4CoO3 ẟ electrocatalysts under oxygen evolution conditions

, Authors: Moritz Lukas Weber, Gaurav Lole, Attila Kormanyos, Alexander Schwiers, Lisa Heymann, Florian Speck, Tobias Meyer, Regina Dittmann, Serhiy Cherevko, Christian Jooss, Christoph Baeumer, Felix Gunkel
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-sfqkl
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

PdCu Electrocatalysts for Selective Nitrate and Nitrite Reduction to Nitrogen

, Authors: Jeonghoon Lim, Yu Chen, David Cullen, Seung Woo Lee, Thomas Senftle, Marta Hatzell
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-93kwv-v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Superhydrophilicity of α-Alumina Surfaces Results from Tight Binding of Interfacial Waters to Specific Aluminols

, Authors: Ruiyu Wang, Yunqian Zou, Richard C. Remsing, Naomi O. Ross, Michael L. Klein, Vincenzo Carnevale, Eric Borguet
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2021-rg4wj-v2
 
Category: Nanoscience
,
Working Paper
, Title:

Reply to Comment on “Molecules, the Ultimate Nanomotor: Linking Chemical Reaction Intermediates to their Molecular Diffusivity”

, Authors: Tian Huang, Bo Li, Huan Wang, Steve Granick
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-8nwn0-v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Understanding Nonlinear Composition Dependency of Enantioselectivity in Chiral Separation Using Mixed Micelle

, Authors: Nozomu Suzuki
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-07q8z-v4
 
Category: Materials Chemistry
,
Working Paper
, Title:

Activity Enhancement of Defective Carbon Nitride for Photocatalytic Ammonia Generation by Modification with Pyrite

, Authors: Judith Zander, Jana Timm, Morten Weiss, Roland Marschall
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-97hl0-v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

The Potential Role of Addition Coupled Electron Transfer (ACET) in Single Atom Catalysis: The Hydrogen Transfer from Metalloporphyrin to Imine is an ACET

, Authors: Yumiao Ma, Aqeel A. Hussein
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-p1p49
 
Category: Organic Chemistry
,
Review
, Title:

Recent concepts for supramolecular 2D materials

, Authors: Lucía Gallego, Joseph F. Woods, Michel Rickhaus
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-9vgk6
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Analysis of Abietane-Type Diterpenoids from Baltic Amber Samples

, Authors: Elizabeth Ambrose, Connor McDermott, Parker Flanders
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-48kmn
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Aza-BODIPY Based Carbonic Anhydrase IX: Strategy to Overcome Hypoxia Limitation in Photodynamic Therapy

, Authors: Thitima Pewklang, Kantapat Chansaenpak, Rung-Yi Lai, Siti Nursyahirah Bakar, Chin Siang Kue, Anyanee Kamkaew
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-xzqk0
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Enhanced ciprofloxacin removal from aqueous solution using a chemically modified biochar derived from bamboo sawdust: Adsorption process optimization with response surface methodology

, Authors: wondimu kebede Wakejo, Beteley Tekola Meshasha, Joon Wun Kang, Yonas Chebude Chebude
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-1xw3b
 
Category: Analytical Chemistry
,
Working Paper
, Title:

raMSI for Ground-Truth Machine Learning of Mass Spectrometry Imaging Data

, Authors: Jialing Zhang, Hiu Lok Ngan, Liu Yang, Yike Guo, Xian Yang, Zongwei Cai
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-qms3q
 
Category: Materials Chemistry
,
Working Paper
, Title:

Thermally induced oxygen vacancies in BiOCl nanosheets and their impact on photoelectrochemical performance

, Authors: Xiaofeng Wu, Freddy E. Oropeza, Daan den Boer, Peter Kleinschmidt, Thomas Hannappel, Dennis G. H. Hetterscheid, Emiel J. M. Hensen, Jan Philipp Hofmann
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-3tvpq
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Life cycle assessment of the LimoFish process for the full valorization of anchovy fillet leftovers

, Authors: Francesco Arfelli, Daniela Maria Pizzone, Daniele Cespi, Luca Ciacci, Rosaria Ciriminna, Paolo Salvatore Calabrò, Mario Pagliaro, Francesco Mauriello, Fabrizio Passarini
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-6c3fd
 
Category: Energy
,
Working Paper
, Title:

Unravelling the Ordered Phase of the Quintessential Hybrid Perovskite MAPbI3 – Thermophysics to the Rescue

, Authors: Pelayo Marin-Villa, Ana Arauzo, Kacper Drużbicki, Felix Fernandez-Alonso
Version undefined posted 12 July 2022
Posted
Jul 12, 2022
10.26434/chemrxiv-2022-dtwbm
 
Category: Biological and Medicinal Chemistry
,
Review
, Title:

A Systematic Review on the Kappa Opioid Receptor and Its Ligands: New Directions for the Treatment of Pain, Anxiety, Depression, and Drug Abuse

, Authors: Md Imdadul Khan, Benjamin Sawyer, Nicholas Akins, Hoang Le
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-s3d4b
 
Category: Catalysis
,
Working Paper
, Title:

Reduced Potential Barrier of Sodium-substituted Disordered Rocksalt Cathode for Oxygen Evolution Electrocatalysts

, Authors: ADITYA NARAYAN SINGH, Amir Hajibabaei, Miran Ha, Abhishek Meena, Kyung-Wan Nam
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-gd90m
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Phytochemical Drug Discovery for COVID-19 Using High-resolution Computational Docking and Machine Learning Assisted Binder Prediction

, Authors: Zirui Wang, Theodore Belecciu, Joelle Eaves, Mark Reimers, Michael Bachmann, Daniel Woldring
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-6bp55-v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Discovery of XL01126: A Potent, Fast, Cooperative, Selective, Orally Bioavailable and Blood Brain Barrier Penetrant Prote-olysis Targeting Chimera Degrader of Leucine Rich Repeat Kinase 2

, Authors: Xingui Liu, Alexia Kalogeropulou, Sofia Domingos, Nikolai Makukhin, Raja Nirujogi, Francois Singh, Natalia Shpiro, Anton Saalfrank, Esther Sammler, Ian Ganley, Rui Moreira, Dario Alessi, Alessio Ciulli
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-4gzm0-v2
 
Category: Catalysis
,
Working Paper
, Title:

Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height

, Authors: Hao Gao, Valentina Belova, Francesco La Porta, Santiago Cingolani, Mie Andersen, Mehdi Saedi, Oleg Konovalov, Maciej Jankowski, Hendrik Heenen, Irene Groot, Gilles Renaud, Karsten Reuter
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-99gfv
 
Category: Physical Chemistry
,
Working Paper
, Title:

Interfacial electric fields catalyze Ullmann coupling reactions on gold surfaces

, Authors: Ilana Stone, Rachel Starr, Norah Hoffmann, Xiao Wang, Austin Evans, Colin Nuckolls, Tristan Lambert, Michael Steigerwald, Timothy Berkelbach, Xavier Roy, Latha Venkataraman
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-jqwmn
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Algorithmic Explorations of Unimolecular and Bimolecular Reaction Spaces

, Authors: Qiyuan Zhao, Brett Savoie
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-5116j
 
Category: Physical Chemistry
,
Working Paper
, Title:

Molecular Insights into the Calcium Binding in Troponin C Through a Molecular Dynamics Study

, Authors: Madelyn Smith, Pengfei Li
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-068pr
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Synthesis, crystal structure, and electrical and magnetic characterizations of the monoclinic compounds Ln3Mo4+xSi1-xO14 (Ln = La, Ce, Pr, and Nd; X = 0 and 0.35) containing Mo3 clusters and Mo2 dimers

, Authors: Patrick Gougeon, Philippe Gall
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-t52l1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

LassoHTP: a High-throughput Computational Tool for Lasso Peptide Structure Construction and Modeling

, Authors: Reecan J. Juarez, Matthew Tremblay, Yaoyukun Jiang, Qianzhen Shao, A. James Link, Zhongyue Yang
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-btvk9
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

Catalytic nitrogen fixation using visible light energy

, Authors: Yuya Ashida, Yuto Onozuka, Kazuya Arashiba, Asuka Konomi, Hiromasa Tanaka, Shogo Kuriyama, Yasuomi Yamazaki, Kazunari Yoshizawa, Yoshiaki Nishibayashi
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-dcn3z
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Chemical Space Exploration with Active Learning and Alchemical Free Energies

, Authors: Yuriy Khalak, Gary Tresadern, David F. Hahn, Bert L. de Groot, Vytautas Gapsys
Version undefined posted 13 July 2022
Posted
Jul 13, 2022
10.26434/chemrxiv-2022-q9033
 
Category: Materials Science
,
Review
, Title:

Biodegradable Polymer Nanocomposites: A Review of Properties

, Authors: Hani Nasser Abdelhamid
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-npnrs
 
Category: Physical Chemistry
,
Working Paper
, Title:

Electric-Field-Induced Coupling of Aryl Iodides with a Nickel(0) Complex

, Authors: Nicholas Orchanian, Sophia Guizzo, Michael Steigerwald, Colin Nuckolls, Latha Venkataraman
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-lfnw1
 
Category: Energy
,
Working Paper
, Title:

Temperature-dependent study of AcFc-FeIII(acac)3 redox couple for non-aqueous redox flow battery

, Authors: MD MOTIUR RAHAMAN MAZUMDER, Rezoanul Islam
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-3177p
 
Category: Biological and Medicinal Chemistry
,
Review
, Title:

The Rise and Fall of Hydroxychloroquine (HCQ) in COVID Era: A Therapeutic Journey and Synthetic Progress

, Authors: Dinesh Kumar, Gargi Nikhil Vaidya, Ashwini Venkatesh, Deep Rohan Chatterjee, Pooja Rana, Mithilesh Nagpure, Dinesh Parshuram Satpute, Shyam Lokhande, Kiran Kalia
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-4fj0r
 
Category: Catalysis
,
Working Paper
, Title:

High-Throughput Optimization of Photochemical Reactions using Segmented Flow Nanoelectrospray Ionization Mass Spectrometry

, Authors: Alexandra Sun, Daniel Steyer, Richard Robinson, Carol Ginsburg-Moraff, Scott Plummer, Jinhai Gao, Jospeh Tucker, Dirk Alpers, Corey Stephenson, Robert Kennedy
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-mvc7h
 
Category: Organic Chemistry
,
Working Paper
, Title:

A Sustainable Synthesis of the SARS-CoV-2 Mpro Inhibitor Nirmatrelvir, the Active Ingredient in Paxlovid

, Authors: Joseph R. A. Kincaid, Juan C. Caravez, Karthik S. Iyer, Rahul D. Kavthe, Nico Fleck, Donald H. Aue, Bruce H. Lipshutz
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-hmdd4-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Photoinduced Oxygen Transfer using Nitroarenes for the Anaerobic Cleavage of Alkenes

, Authors: Dan Wise, Emma Gogarnoiu, Alana Duke, Joshua Paolillo, Taylor Vacala, Waseem Hussain, Marvin Parasram
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-hmwkr-v3
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

The burden of city’s pain treatment – a longitudinal one year study of two cities via wastewater-based epidemiology

, Authors: Andrew Kannan, Natalie Sims, Angus Hold, Kishore Jagadeesan, Richard Standerwick, Ruth Barden, Barbara Kasprzyk-Hordern
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-gtmk1
 
Category: Catalysis
,
Working Paper
, Title:

Chloride-Mediated Alkene Activation Drives Enantioselective Thiourea and Hydrogen Chloride Co-Catalyzed Prins Cyclizations

, Authors: Dennis Kutateladze, Corin Wagen, Eric Jacobsen
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-61gmn
 
Category: Nanoscience
,
Working Paper
, Title:

Solid-State Synthesis of UV-Plasmonic Cr2N Nanoparticles

, Authors: Reem Karaballi, Yashar Esfahani Monfared, Isobel Bicket, Robert Coridan, Mita Dasog
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-hwb33
 
Category: Materials Chemistry
,
Working Paper
, Title:

Promoting Reverse Intersystem Crossing in Thermally Activated Delayed Fluorescence via Heavy-Atom Effect

, Authors: Katsuyuki Shizu, Ren Yongxia, Hironori Kaji
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-9drhb
 
Category: Physical Chemistry
,
Working Paper
, Title:

Label-free detection of β-sheet polymorphism

, Authors: William Weeks, Lauren Buchanan
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-j3t8h
 
Category: Organic Chemistry
,
Working Paper
, Title:

Organophotocatalytic [2+2] cycloaddition of electron-deficient styrenes

, Authors: Maxim Golfmann, Louis Glagow, Antonios Giakoumidakis, Christopher Golz, Johannes Walker
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-trn3c
 
Category: Catalysis
,
Working Paper
, Title:

Detailed microkinetics for the oxidation of exhaust gas emissions through automated mechanism generation

, Authors: Bjarne Kreitz, Patrick Lott, Jongyoon Bae, Katrín Blöndal, Sofia Angeli, Zachary W. Ulissi, Felix Studt, C. Franklin Goldsmith, Olaf Deutschmann
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-r5wn0-v2
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Autonomous and programmable reorganization of DNA-based polymers using redox chemistry

, Authors: Serena Gentile, Erica Del Grosso, Leonard J. Prins, Francesco Ricci
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-vjbbz
 
Category: Materials Science
,
Working Paper
, Title:

Machine Learning Predicts Conversion and Molecular Weight Distributions in Computer Controlled Polymerization

, Authors: Jin Da Tan, Balamurugan Ramalingam, Swee Liang Wong, Jayce Cheng, Yee-Fun Lim, Vijila Chellappan, Saif A. Khan, Jatin Kumar, Kedar Hippalgaonkar
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-tlz53
 
Category: Materials Science
,
Working Paper
, Title:

Probing the Stability of SrIrO3 During Active Water Electrolysis via Operando Atomic Force Microscopy

, Authors: Andrew R. Akbashev, Vladimir Roddatis, Christoph Baeumer, Tianchi Liu, J. Tyler Mefford, William C. Chueh
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-jg608-v3
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Thermo-programmed synthetic DNA-based receptors

, Authors: Davide Mariottini, Idili Andrea, Francesco Ricci
Version undefined posted 14 July 2022
Posted
Jul 14, 2022
10.26434/chemrxiv-2022-jph9v
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel ring-substituted tert-butyl phenylcyanoacrylates

, Authors: Zeeshan M. Muzammil, Hannah M. Notte, Heena K. Patel, Munaza M. Rasool, Afrah N. Rehman, Page E. Rhodes, Simona Risteska, Maxwell Schertler, Galen D. Sienicki, Sara M. Schjerven, Nicholas M. Tassone, Gregory B. Kharas
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-j6fr6
 
Category: Chemical Education
,
Working Paper
, Title:

On the statistical mechanical interpretation of entropy: a revision

, Authors: Amin Alibakhshi
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-1w9zr
 
Category: Materials Chemistry
,
Working Paper
, Title:

Novel superhard phases in the B-C-N system from first principles: tetragonal C16, B8N8 and C6N8

, Authors: Samir F. Matar, Vladimir L. Solozhenko
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-lmt02
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

The impact of high-emission event duration on the effectiveness of monthly, quarterly, semi-annual and annual emission measurements

, Authors: Colette Schissel, David Allen
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-ggk5b-v3
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Multi-element compound specific isotope analysis reveals aerobic biodegradation of 2,3-dichloroaniline at a complex site

, Authors: Shamsunnahar Suchana, Sofia Pimentel Araujo, Line Lomheim, Elizabeth Edwards, Elizabeth Erin Mack, Elodie Passeport
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-wcjjj
 
Category: Catalysis
,
Review
, Title:

New Strategies for the Synthesis of 1- and 2-Azetines and Their Applications as Value-Added Building Blocks

, Authors: Corinna Schindler, Michael Gatazka, Elvis McFee, Cody Ng, Emily Wearing
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-1x2xk
 
Category: Materials Chemistry
,
Working Paper
, Title:

Non-covalent interactions drive the Young modulus of oligolignols-cellulose complexes.

, Authors: Pablo Lopez-Albarran, Antonio Pizzi, Rafael Herrera-Bucio, Joel Sánchez-Badillo, Marco Gallo, Raymundo Hernández-Esparza, Jorge Garza
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-17nkf
 
Category: Nanoscience
,
Working Paper
, Title:

New Insights into the Bonding Properties of [Ag25(SR)18]- Nanoclusters from X-ray Absorption Spectroscopy

, Authors: Ziyi Chen, Andrew Walsh, Xiao Wei, Manzhou Zhu, Peng Zhang
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-mt480
 
Category: Inorganic Chemistry
,
Review
, Title:

In-depth analysis on photocatalysts related research trends about polyoxometalate-based materials: A bibliometric study

, Authors: Rongqing Tang, Jianhui Zhou, Nan Zhang
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-5l430
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Structure of POPC lipid bilayers in OPLS3e force field

, Authors: Milla Kurki, Antti Poso, Piia Bartos, Markus S. Miettinen
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-m89bg-v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Polarizing insensitive nuclei at ultralow magnetic fields using parahydrogen: a facile route to optimize adiabatic magnetic field sweeps

, Authors: Vitaly Kozinenko, Alexey Kiryutin, Alexandra Yurkovskaya
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-12996
 
Category: Polymer Science
,
Working Paper
, Title:

Designing negative feedback loops in enzymatic coacervate droplets

, Authors: Nisha Modi, Siwei Chen, Kyle Bishop, Allie Obermeyer
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-cghsm
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Characterizing the Behavior of Bitumen-Water Systems with the Hydrophilic-Lipophilic Difference (HLD) Framework

, Authors: Amir Ghayour, Rafael Perez Franco, Sujit Bhattacharya, Edgar Acosta
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-fgq9l
 
Category: Materials Science
,
Working Paper
, Title:

Towards High-Performance Metal-Organic-Framework-Based Solid-State Electrolytes: Tunable Structures and Electrochemical Properties

, Authors: Panpan Dong, Xiahui Zhang, William Hiscox, Xiaoyu Li, Qiang Zhang, Min-Kyu Song
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-hkd5f
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Improved Prediction of Maximum EQE in TADF-based OLEDs Through Ensemble Learning

, Authors: BIDHAN CHANDRA GARAIN, Swapan K. Pati
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-636c2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Development of alkylated hydrazides as highly potent and selective class I HDAC inhibitors with T cell modulatory properties

, Authors: Ping Sun, Jing Wang, Khadija S. Khan, Weiqin Yang, Wai-Lung (Billy) Ng, Nikita Ilment, Matthes Zessin, Emre F. Bülbül, Dina Robaa, Frank Erdmann, Matthias Schmidt, Christophe Romier, Mike Schutkowski, Alfred Sze-Lok Cheng, Wolfgang Sippl
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-t54nv
 
Category: Catalysis
,
Working Paper
, Title:

Cross-Coupling Reactions of 5-Bromo-1,2,3-triazines

, Authors: Lukas Hoff, Joana Hauser, Karl Gademann
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-wgm91
 
Category: Materials Science
,
Working Paper
, Title:

The Effect of Cation Exchange on the Pore Geometry of Zeolite L

, Authors: Lisa Price, Zoe Jones, Antony Nearchou, Gavin Stenning, Daniel Nye, Asel Sartbaeva
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-wl2h1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

A Systematic Analysis and Prediction of the Target Space of Bioactive Food Compounds: Filling the Chemobiological Gaps

, Authors: Andrés Sánchez-Ruiz, Gonzalo Colmenarejo
Version undefined posted 15 July 2022
Posted
Jul 15, 2022
10.26434/chemrxiv-2022-4nt4t
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Application of Multiple Length Crosslinkers to the Characterization of Gaseous Protein Structure

, Authors: Melanie Cheung See Kit, Ian Webb
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-b7xs6
 
Category: Analytical Chemistry
,
Working Paper
, Title:

A long-wavelength xanthene dye for photoacoustic imaging

, Authors: Xinqi Zhou, Yuan Fang, Viranga Wimalasiri, Cliff Stains, Evan Miller
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-xj9rk
 
Category: Organic Chemistry
,
Working Paper
, Title:

Simultaneous Capture and Profile the Kinetic Changes of Short-Lived Reactive Electrochemical Reaction Intermediates by Time-Resolved Mass Spectrometry

, Authors: Qiongqiong Wan, Kaixiang Chen, Xin Dong, Wenjing Nie, Suming Chen
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-p7mfd
 
Category: Materials Science
,
Working Paper
, Title:

Effect of Calcium on the Atomic and Electronic Structures of CdSe QDs Embedded Soda-Lime-Silica Glasses

, Authors: Wenke Li, Xiujian Zhao, François-Xavier Coudert, Chao Liu
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-d5smv-v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Breaking the Histone Code with Two-Dimensional Partial Covariance Mass Spectrometry

, Authors: Taran Driver, Ruediger Pipkorn, Vitali Averbukh, Leszek Frasinski, Jon P. Marangos, Marina Edelson-Averbukh
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-7gt0s-v4
 
Category: Materials Chemistry
,
Working Paper
, Title:

Water Structure in the Electrical Double Layer and the Contributions to the Total Interfacial Potential at Different Surface Charge Densities

, Authors: Benjamin Rehl, Emily Ma, Shyam Parshotam, Emma L. DeWalt-Kerian, Tianli Liu, Franz M. Geiger, Julianne M. Gibbs
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-p5fwp-v4
 
Category: Catalysis
,
Working Paper
, Title:

Effects of Electrochemical Conditioning on Nickel-based Oxygen Evolution Electrocatalysts

, Authors: Yoon Jun Son, Seonwoo Kim, Vanessa Leung, Kenta Kawashima, Jungchul Noh, Kihoon Kim, Raul A. Marquez, Omar A. Carrasco-Jaim, Lettie A. Smith, Hugo Celio, Delia J. Milliron, Brian Korgel, C. Buddie Mullins
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-41gpv
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

mwfn: A Strict, Concise and Extensible Format for Electronic Wavefunction Storage and Exchange

, Authors: Tian Lu, Qinxue Chen
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2021-lt04f-v6
 
Category: Catalysis
,
Working Paper
, Title:

Undirected, Pd-catalysed deuteration of indoles with programmable regioselectivity

, Authors: Liam Fitzgerald, Rachael McNulty, Andrew Greener, Miriam O'Duill
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-s48dt
 
Category: Catalysis
,
Working Paper
, Title:

Temperature-Controlled Mechanochemistry for the Nickel-Catalyzed Suzuki-Miyaura-Type Coupling of Aryl Sulfamates via Ball Milling and Twin-Screw Extrusion

, Authors: Robert Bolt, Sarah Raby-Buck, Katharine Ingram, Jamie Leitch, Duncan Browne
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-z1d96
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Nuclear Gradient Expressions for Molecular Cavity Quantum Electrodynamics Simulations using Mixed Quantum-Classical Methods

, Authors: Wanghuai Zhou, Deping Hu, Arkajit Mandal, Pengfei Huo
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-2p91x
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Arene C–H Borylation Strategy Enabled by a Non-Classical Boron Cluster-Based Electrophile

, Authors: Sangmin Kim, Joseph Treacy, Jordan Gonzalez, Milan Gembicky, K. N. Houk, Alexander Spokoyny
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-j5t74
 
Category: Materials Science
,
Working Paper
, Title:

Design and synthesis of new nanobiomaterials with antimicrobial properties

, Authors: Clara Ortega-Nieto, Noelia Losada-Garcia, Benevides C. Pessela, Pilar Domingo-Calap, Jose Miguel Palomo
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-b7z4k
 
Category: Catalysis
,
Working Paper
, Title:

General and Practical Route to Diverse 1,3-(Difluoro)alkyl bicyclo[1.1.1]-Aryl Pentanes Enabled by an Fe-Catalyzed Multicomponent Radical Coupling

, Authors: Angel Rentería-Gómez, Wes Lee, Shuai Yin, Michael Davis, Achyut Gogoi, Osvaldo Gutierrez
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-hm39c
 
Category: Catalysis
,
Working Paper
, Title:

Copper Hydride-Catalyzed Enantioselective Olefin Hydromethylation

, Authors: Yuyang Dong, Kwangmin Shin, Binh Khanh Mai, Peng Liu, Stephen Buchwald
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-s3n7v
 
Category: Biological and Medicinal Chemistry
,
Review
, Title:

Harnessing systematic protein-ligand interaction fingerprints for drug discovery

, Authors: Zheng Zhao, Philip E. Bourne
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-b0zq0
 
Category: Catalysis
,
Working Paper
, Title:

Benzaldehyde-Promoted (Auto)Photocatalysis under Visible Light: Pitfalls and Opportunities in Photocatalytic H2O2 Production

, Authors: Igor Krivtsov, Ashish Vazirani, Dariusz Mitoraj, Radim Beranek
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-sg5mt
 
Category: Organic Chemistry
,
Working Paper
, Title:

Photoredox-Mediated Deoxygenative Radical Additions of Aromatic Acids to Vinyl Boronic Esters and gem-Diborylalkenes

, Authors: Anugula Nagaraju, Tamer Saiaede, Ahmad Masarwa
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-73431
 
Category: Materials Science
,
Working Paper
, Title:

P-terminated InP(001) surfaces: Surface band bending and reactivity to water

, Authors: Dominik Christian Moritz, Isaac Azahel Ruiz Alvarado, Mohammad Amin Zare Pour, Agnieszka Paszuk, Tilo Frieß, Erich Runge, Jan Philipp Hofmann, Thomas Hannappel, Wolf Gero Schmidt, Wolfram Jaegermann
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-x73nn
 
Category: Organic Chemistry
,
Working Paper
, Title:

Repurposing amine and carboxylic acid building blocks with an automatable esterification reaction

, Authors: Andrew McGrath, Rui Zhang, Khadija Shafiq, Tim Cernak
Version undefined posted 18 July 2022
Posted
Jul 18, 2022
10.26434/chemrxiv-2022-9grb8-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Predicting the Partitioning Behavior of Per- and Poly-Alkyl Substances (PFAS) on Liquid-Solid Interface for Carbon and Mineral Based Surfaces using Multivariate Linear Regression Models with K-Fold Cross Validation.

, Authors: Harsh Patel, Hyo-shin Park, Renzun Zhao
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-4r4ml
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

A Monoboranyl Analogue of 1,2-bis(di-tert-butylphosphino)ethane

, Authors: Marissa Clapson, Harvey Sharma, Joseph Zurakowski, Marcus Drover
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-w2th1
 
Category: Nanoscience
,
Working Paper
, Title:

Chirality Analysis for Nanostructured Microparticles Using Deep Learning

, Authors: Anastasia Visheratina, Alexander Visheratin, Prashant Kumar, Michael Veksler, Nicholas Kotov
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-4pv1z
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

a coarse-grained molecular dynamics description of docetaxel-conjugate release from plga matrices

, Authors: Martina Pannuzzo, Alessia Felici, Paolo Decuzzi
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-tzm9s
 
Category: Energy
,
Working Paper
, Title:

Designing Efficient Tandem Organic Solar Cells with Machine Learning and Genetic Algorithms

, Authors: Brianna Greenstein, Geoffrey Hutchison
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-tvlp7
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Top-Down Mass Spectrometry and Assigning Internal Fragments for Determining Disulfide Bond Positions in Proteins

, Authors: Benqian Wei, Muhammad Zenaidee, Carter Lantz, Brad Williams, Sarah Totten, Rachel Loo, Joseph Loo
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-65k4h
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Uni-Dock: A GPU-Accelerated Docking Program Enables Ultra-Large Virtual Screening

, Authors: Yuejiang Yu, Chun Cai, Zhengdan Zhu, Hang Zheng
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-5t5ts
 
Category: Physical Chemistry
,
Working Paper
, Title:

Cavity-Free Quantum-Electrodynamic Electron Transfer Reactions

, Authors: Yu-Chen Wei, Liang-Yan Hsu
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-qspm0
 
Category: Catalysis
,
Working Paper
, Title:

A dual-role halogen-bonding-assisted EDA-SET/HAT photoreaction system with phenol catalyst and aryl iodide: Visible-light-driven carbon–carbon bond formation

, Authors: Tatsuhiro Uchikura, Kazushi Tsubono, Yurina Hara, Takahiko Akiyama
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-vkqmw-v2
 
Category: Energy
,
Working Paper
, Title:

Simplifying electrode design for lithium-ion rechargeable cells

, Authors: Tianye Zheng, Steven Boles
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-nxb0c-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Stereoelectronics-Aware Molecular Representation Learning

, Authors: Daniil Boiko, Thiago Reschützegger, Benjamin Sanchez-Lengeling, Samuel Blau, Gabriel Gomes
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-nz4pc
 
Category: Organic Chemistry
,
Working Paper
, Title:

A generally applicable quantitative reactivity model for nucleophilic aromatic substitution built from simple descriptors

, Authors: Jingru Lu, Irina Paci, David Leitch
Version undefined posted 19 July 2022
Posted
Jul 19, 2022
10.26434/chemrxiv-2022-71bzc
 
Category: Organic Chemistry
,
Working Paper
, Title:

A batch photoreactor for small-scale laboratory research - a technical note

, Authors: Jun Li, Patrick Hodapp, Bradley Paul Ladewig, Nicole Jung, Roland Dittmeyer
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-46w7s
 
Category: Organic Chemistry
,
Working Paper
, Title:

Tris(2,4,6-trimethoxyphenyl)phosphine - a Lewis base able to compete with phosphazene bases in catalysing oxa-Michael reactions

, Authors: Susanne, Maria Fischer, Petra Kaschnitz, Christian Slugovc
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-9zkl6
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

SARS-CoV-2 and MERS-CoV spike protein binding studies support stable mimic of bound 9-O-acetylated sialic acids

, Authors: Lisa Oh, Ajit Varki, Xi Chen, Lee-Ping Wang
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-tnc3f
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Structure elucidation, biosynthesis, total synthesis and antibacterial in-vivo efficacy of myxobacterial Corramycin

, Authors: Cédric Couturier, Sebastian Groß, Alexander von Tesmar, Judith Hoffmann, Selina Deckarm, Anouchka Fievet, Nelly Dubarry, Thomas Taillier, Christoph Pöverlein, Heike Stump, Michael Kurz, Luigi Toti, Sabine Haag Richter, Dietmar Schummer, Philippe Sizun, Michael Hoffmann, Ram Prasad Awal, Nestor Zaburannyi, Kirsten Harmrolfs, Joachim Wink, Emilie Lessoud, Thierry Vermat, Veronique Cazals, Sandra Silve, Armin Bauer, Michael Mourez, Laurent Fraisse, Corinne Leroi-Geissler, Astrid Rey, Stéphanie Versluys, Eric Bacqué, Rolf Müller, Stephane Renard
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-97gp2
 
Category: Catalysis
,
Working Paper
, Title:

Identifying Limitations in Screening High-Throughput Photocatalytic Bimetallic Nanoparticles with Machine-Learned Hydrogen Adsorptions

, Authors: Kirby Broderick, Eric Lopato, Brook Wander, Stefan Bernhard, John Kitchin, Zachary Ulissi
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-fkj67-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Chiral Solvent Discovery: Exploring Chiral Eutectic Mixtures and Deep Eutectic Solvents

, Authors: Todd Hopkins, Liam VandenElzen, Brian Nelson, Vishnu Vaid, Jayme Brickley, Paola Ariza, Grace Whitacre, Inaya Patel, Olivia Gooch, Mandy Bechman, Charlotte Jordan
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-7c94s-v3
 
Category: Materials Chemistry
,
Working Paper
, Title:

Colloidal Silicon Quantum Dot-Based Cavity Light-Emitting Diodes with Narrowed and Tunable Electroluminescence

, Authors: I Teng Cheong, Josef Mock, Maria Kallergi, Elisabeth Groß, Alkiviathes Meldrum, Bernhard Rieger, Markus Becherer, Jonathan G. C. Veinot
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-st099
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Synthesis and Kinetic Stabilization of a Theoretically Predicted Sn(II)-Perovskite Oxide as a Nanoshell

, Authors: Shaun O'Donnell, DJ Osborne, Gowri Krishnan, Theresa Block, Aylin Koldemir, Thomas Small, Rachel Broughton, Jacob Jones, Rainer Pöttgen, Gunther Andersson, Gregory Metha, Paul Maggard
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-llt2q-v2
 
Category: Catalysis
,
Working Paper
, Title:

Mechanical Interlocking Enhances the Electrocatalytic Oxygen Reduction Activity and Selectivity of Molecular Copper Complexes

, Authors: Xiaoyong Mo, Yulin Deng, Samuel Kin-Man Lai, Xutao Gao, Hung-Ling Yu, Kam-Hung Low, Heng-Liang Wu, Ho Yu Au-Yeung, Edmund Chun Ming Tse
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-5sqh3
 
Category: Nanoscience
,
Working Paper
, Title:

Evolution of Ge wetting layers growing on smooth and rough Si (001) surfaces: isolated {105} facets as a kinetic factor of stress relaxation

, Authors: Larisa V. Arapkina, Kirill V. Chizh, Vladimir P. Dubkov, Mikhail S. Storozhevykh, Vladimir A. Yuryev
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-nbwr4
 
Category: Materials Chemistry
,
Working Paper
, Title:

Functional Group Pair Distance based Descriptor for Isomerization in Porous Molecular Framework Materials

, Authors: Maryam Nurhuda, Yusuf Hafidh, Carole C. Perry, Matthew A. Addicoat
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-5bcq2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

A systematic core-shell approach for coarsening nanoparticle-membrane interactions: application to silver nanoparticles

, Authors: Ankush Singhal, Agur Sevink
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-b41qd
 
Category: Materials Chemistry
,
Review
, Title:

Rip It, Stitch It, Click It: A Chemist’s Guide to VLP Manipulation

, Authors: Fabian C Herbert, Yalini H Wijesundara, Sneha Kumari, Thomas Howlett, Shailendra Koirala, Orikeda Trashi, Ikeda Trashi, Noora M. Al-Kharji, Jeremiah Gassensmith
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-7742c
 
Category: Materials Chemistry
,
Review
, Title:

Serendipity based recommender system for perovskites material discovery: balancing exploration and exploitation across multiple models

, Authors: Venkateswaran Shekar, Vincent Yu, Benjamin J. Garcia, David Benjamin Gordon, Gemma E. Moran, David M. Blei, Loïc M. Roch, Alberto García-Durán, Mansoor Ani Najeeb, Margaret Zeile, Philip W. Nega, Zhi Li, Mina A. Kim, Emory M. Chan, Alexander J. Norquist, Sorelle Friedler, Joshua Schrier
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-l1wpf-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Multideuteration of Nitroaromatics by Silver-Catalyzed Hydrogen-Isotope Exchange

, Authors: Jianbo Tang, Junhua Kong, Hui Xu, Zhi-Jiang Jiang, Yifan She, Jianfei Bai, Bencan Tang, Jia Chen, Zhanghua Gao, Kun Gao
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-24mxw-v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Discovery and molecular elucidation of pervasive Aflatoxin B1 oxidation activity in the laccase superfamily

, Authors: Ryan Caster, Emma Luu, Ka Yi Tsui, Jun Yang, Augustine Arredondo, Youtian Cui, Hannah Shafaat, Guangtao Zhang, Bruce Hammock, Dean Tantillo, Justin Siegel
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-hfctd
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Cement clinker production in an electrolyser

, Authors: Zishuai Zhang, Benjamin A.W. Mowbray, Colin Parkyn, Chris Waizenegger, Aubry S. R. Williams, Eric W. Lees, Shaoxuan Ren, Ryan P. Jansonius, Curtis P. Berlinguette
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-k20zm
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis of Benzofuropyridines and Dibenzofurans by a Metalation/Negishi Cross-Coupling/SNAr Reaction Sequence

, Authors: Guy J. Clarkson, Stefan Roesner
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-63g8k
 
Category: Materials Chemistry
,
Working Paper
, Title:

Enhanced Mechanical Stability and Scratch Resistance of Mesoporous Aluminosilicate Thin Films

, Authors: Barry Reid, Ishaa Mane, Faizah Ahmed, Maximiliano Jara Fornerod, Máté Füredi, Alberto Alvarez-Fernandez, Stefan Guldin
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-55czc
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Sequestering and metamorphosis of molecular nitrogen at ambient conditions: role of bonding and back-bonding

, Authors: Ratan Logdi, Arijit Bag, Ashwani Kumar Tiwari
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-cr98c-v2
 
Category: Catalysis
,
Working Paper
, Title:

Tandem Cooperative Friedel-Crafts Reaction of Aldehydes with Electron Deficient Arenes Through Catalyst-Activation via Hydrogen Bonding Network

, Authors: Sanjay Singh, Sankalan Mondal, Vikas Tiwari, Nagaraju Vodnala, Tarak Karmakar, Chinmoy Hazra
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-w56tj-v3
 
Category: Agriculture and Food Chemistry
,
Working Paper
, Title:

Monitoring metabolic changes during storage of hazelnuts (Corylus avellana L.) by 1H NMR spectroscopy

, Authors: Navid Shakiba, Henri Lösel, Soeren Wenk, René Bachmann, Marina Creydt, Stephan Seifert, Markus Fischer, Thomas Hackl
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-6mm5c-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Structural, Dynamical, and Entropic Differences Between SARS-CoV and SARS-CoV-2 s2m Elements Using Molecular Dynamics Simulations

, Authors: Adam H. Kensinger, Joseph A. Makowski, Kendy A. Pellegrene, Joshua A. Imperatore, Caylee L. Cunningham, Caleb J. Frye, Patrick E. Lackey, Mihaela-Rita Mihailescu, Jeffrey D. Evanseck
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-lpjl9-v2
 
Category: Materials Chemistry
,
Working Paper
, Title:

Highly Efficient Green & Red Narrowband Emissive Organic Light-Emitting Diodes Employing Multi-Resonant Thermally Activated Delayed Fluorescence Emitters

, Authors: Sen Wu, Abhishek Kumar Gupta, Kou Yoshida, Junyi Gong, David Hall, David Cordes, Alexandra Slawin, Ifor Samuel, Eli Zysman-Colman
Version undefined posted 20 July 2022
Posted
Jul 20, 2022
10.26434/chemrxiv-2022-1j3np-v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Homogeneous ice nucleation rates for mW and TIP4P/ICE models through Lattice Mold calculations

, Authors: Ignacio Sanchez-Burgos, Andres R. Tejedor, Carlos Vega, Maria M. Conde, Eduardo Sanz, Jorge Ramirez, JORGE R. ESPINOSA
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-2k8g5-v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography

, Authors: Tijmen Bos, Jim Boelrijk, Stef Molenaar, Brian van 't Veer, Leon Niezen, Denice van Herwerden, Saer Samanipour, Dwight Stoll, Patrick Forré, Bernd Ensing, Govert Somsen, Bob Pirok
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-7vtxs
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Synthesis and Reactivity of titanium ‘POCOP’ pincer complexes

, Authors: F. Mark Chadwick, Tobias Krämer, Leah Webster
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-zbqx5
 
Category: Materials Science
,
Working Paper
, Title:

One-Pot Synthesis of Aminated Bimodal Mesoporous Silica Nanoparticles as Antibacterial Nanocarrier and CO2 Capture Sorbent

, Authors: Yun Li, Amit Kumar Tiwari, Jingyi Sandy Ng, Geok Leng Seah, Hong Kit Lim, Teeraporn Suteewong, Chor Yong Tay, Yeng Ming Lam, Kwan W. Tan
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-26vgr
 
Category: Organic Chemistry
,
Working Paper
, Title:

A quantum-chemical analysis on the Lewis acidity of diaryl-halonium ions

, Authors: Raphael Robidas, Dominik Reinhard, Stefan M. Huber, Claude Legault
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-jtt63-v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

The myxobacterial antibiotic myxovalargin: Biosynthesis, structural revision, total synthesis and molecular characterization of ribosomal inhibition

, Authors: Timm O. Koller, Ullrich Scheid, Teresa Kösel, Jennifer Herrmann, Daniel Krug, Helena I. Boshoff, Bertrand Beckert, Joanna C. Evans, Jan Schlemmer, Becky Sloan, Danielle M. Weiner, Laura E. Via, Atica Moosa, Thomas R. Ioerger, Franziska Gille, Maik Siebke, Tim Seedorf, Oliver Plettenburg, Anna-Luisa Warnke, Joachim Ullrich, Ralf Warrass, Clifton E. Barry, Digby F. Warner, Valerie Mizrahi, Andreas Kirschning, Daniel N. Wilson, Rolf Müller
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-vr3hn
 
Category: Organic Chemistry
,
Working Paper
, Title:

Developing Photoaffinity Probes for Dopamine Receptor D2 to Determine Targets of Parkinson’s Disease Drugs

, Authors: Spencer Kim, Emma Doukmak, Raymond Flax, Dylan Gray, Victoria Zirimu, Ebbing de Jong, Rachel Steinhardt
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-cgq07
 
Category: Earth, Space, and Environmental Chemistry
,
Review
, Title:

Small-Scale Electrochemical Oxidation of Non-Steroidal Anti-Inflammatory Drugs: Conventional Approaches and Conditions

, Authors: Benjamin Chang, Jeffrey Huang, Jocelyn Ho
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-s177n
 
Category: Inorganic Chemistry
,
Review
, Title:

Free Aluminylenes: An Emerging Class of Compounds

, Authors: Xin Zhang, Yanbo Mei, Liu Leo Liu
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-lk5kv
 
Category: Physical Chemistry
,
Working Paper
, Title:

Photocurrent generation in artificial light-harvesting protein matrices

, Authors: Yuval Agam, Nadav Amdursky
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-k1ph2
 
Category: Materials Science
,
Review
, Title:

A State-of-the-Art Review of Graphene-Based Corrosion Resistant Coatings for Metal Protection

, Authors: Ganesh Zade, Kiran Patil
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-cwccz
 
Category: Catalysis
,
Working Paper
, Title:

Union Carbide Polymerization Catalysts: from Uncovering Active Site Structures to Designing Molecularly-Defined Analogs

, Authors: David Trummer, Anna Nobile, Pierre-Adrien Payard, Anton Ashuiev, Yuya Kakiuchi, Daniel Klose, Gunnar Jeschke, Christophe Copéret
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-98t71-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Switchable reactivity of 2-Azetines: Ionic versus radical pathway for accessing β-aminocarbonyls and 2,3-disubstituted azetidines

, Authors: Renzo Luisi, Leonardo Degennaro, Marco Colella, Pantaleo Musci, Michael Andresini, Debora Cannillo, Elena Graziano, Andrea Aramini
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-g4p77
 
Category: Physical Chemistry
,
Working Paper
, Title:

Controlling Amyloid Fibril Properties Via Ionic Liquids: The Representative Case of Ethylammonium Nitrate and Tetramethylguanidinium Acetate on the Amyloidogenesis of Lysozyme

, Authors: Visakh Pillai, Pallavi Kumari, Srikanth Kolagatla, Victoria Garcia Sakai, Svemir Rudić, Brian Rodriguez, Marina Rubini, Katarzyna Tych, Antonio Benedetto
Version undefined posted 21 July 2022
Posted
Jul 21, 2022
10.26434/chemrxiv-2022-cl7bh-v2
 
Category: Chemical Education
,
Working Paper
, Title:

The Impact of COVID-19 Outbreak on the Digital Teaching and Learning Process in Indian Higher Education Institutions

, Authors: Kiran Patil, Varsha Patil
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-vkr3w
 
Category: Physical Chemistry
,
Working Paper
, Title:

Automated Reaction Kinetics and Network Exploration (Arkane): A Statistical Mechanics, Thermodynamics, Transition State Theory, and Master Equation Software

, Authors: Alon Grinberg Dana, Matthew Johnson, Joshua Allen, Sandeep Sharma, Sumathy Raman, Mengjie Liu, Connie Gao, Colin Grambow, Mark Goldman, Duminda Ranasinghe, Ryan Gillis, Allen Mark Payne, Yi-Pei Li, Enoch Dames, Zachary Buras, Nick Vandewiele, Nathan Yee, Shamel Merchant, Beat Buesser, Caleb Class, Franklin Goldsmith, Richard West, William Green
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-4klsm
 
Category: Physical Chemistry
,
Working Paper
, Title:

Bond breaking of furan-maleimide adducts via a diradical sequential mechanism under an external mechanical force

, Authors: Manuel Cardosa-Gutierrez, Guillaume De Bo, Anne-Sophie Duwez, Francoise Remacle
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-ccf1x
 
Category: Organic Chemistry
,
Working Paper
, Title:

Enabling batch and microfluidic non-thermal plasma chemistry: reactor design and testing

, Authors: Patrycja Roszkowska, Aaron Dickenson, Jonathan Higham, Timothy Easun, James Walsh, Anna Slater
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-d2hzk-v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Separation of Dissolved Organic Matter (DOM) and Per- and Polyfluoro-Alkyl Substances (PFAS) from Landfill Leachate Using Modified Coal Fly-Ash (CFA)

, Authors: Harsh Patel, Myles Greer, Kang Xia, Zhiwu Wang, Brian Brazil, Chamindu Liyanapatirana, Sameer Hamoush, Renzun Zhao
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-h8l06
 
Category: Materials Chemistry
,
Working Paper
, Title:

Phosphine-stabilized hidden ground states in gold clusters investigated via a Au_n(PH_3)_m database

, Authors: Caitlin McCandler, Jakob Dahl, Kristin Persson
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-q1hj2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Conformational control of ortho-phenylenes by terminal amides

, Authors: Govinda Prasad Devkota, William P. Carson, C. Scott Hartley
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-r1hd3
 
Category: Organic Chemistry
,
Working Paper
, Title:

Total Synthesis of Peshawaraquinone

, Authors: Tomas de Castro, David Huang, Christopher Sumby, Andrew Lawrence, Jonathan George
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-tlczl
 
Category: Physical Chemistry
,
Working Paper
, Title:

The RMG Database for Chemical Property Prediction

, Authors: Matthew S. Johnson, Xiaorui Dong, Alon Grinberg Dana, Yunsie Chung, David Farina, Ryan J. Gillis, Mengjie Liu, Nathan W. Yee, Katrin Blondal, Emily Mazeau, Colin Grambow, A. Mark Payne, Kevin Spiekermann, Hao-Wei Pang, C. Franklin Goldsmith, Richard H. West, William H. Green
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-0lp0g
 
Category: Organic Chemistry
,
Working Paper
, Title:

Catalyst-Free Transfer Hydrogenation of Activated Alkenes Exploit-ing Isopropanol as the Sole and Traceless Reductant

, Authors: Tamal Kanti Das, Agustin Rodriguez Trevino, Sanjay Pandiri, Sini Irvankoski, Juha Siitonen, Sara M Rodriguez, Muhammed Yousufuddin, Laszlo Kurti
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-k7wdb
 
Category: Catalysis
,
Working Paper
, Title:

The Source of Proton in the Noyori−Ikariya Reaction

, Authors: Nikolay V. Tkachenko, Pavel Rublev, Pavel A. Dub
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-dbc0n
 
Category: Organic Chemistry
,
Working Paper
, Title:

Preparation of Highly Reactive Lithium Metal Dendrites for the Synthesis of Organolithium Reagents

, Authors: Michael Crockett, Lupita Aguirre, Leonel Jimenez, Han-Hsiang Hsu, Andy Thomas
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-k1pvr
 
Category: Catalysis
,
Working Paper
, Title:

Metal Nanoparticle-Decorated Germanane for Selective Photocatalytic Aerobic Oxidation of Benzyl Alcohol

, Authors: Chuyi Ni, Madison Chevalier, Jonathan G. C. Veinot
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-16204
 
Category: Chemical Engineering and Industrial Chemistry
,
Review
, Title:

Sustainable Green Chemical Technology for Developments in Process Industries

, Authors: Kiran Patil
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-h5vlc
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Quantum-based modeling of protein-ligand interaction: The complex of RutA with uracil and molecular oxygen

, Authors: Igor Polyakov, Alexander Nemukhin, Tatiana Domratcheva, Anna Kulakova, Bella Grigorenko
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-s8m5s
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Multivariate Imaging for Fast Evaluation of in Situ Dark Field Microscopy Hyperspectral Data

, Authors: Sabrina Diehn, Helmut Schlaad, Janina Kneipp
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-q6l0k
 
Category: Materials Chemistry
,
Working Paper
, Title:

Mechanochemistry of Spiropyran Under Internal Stresses of a Glassy Polymer

, Authors: Richard Janissen, Georgy Filonenko
Version undefined posted 22 July 2022
Posted
Jul 22, 2022
10.26434/chemrxiv-2022-xp6w9
 
Category: Catalysis
,
Working Paper
, Title:

Alcohol Synthesis by Cobalt-Catalyzed Visible-Light-Driven Reductive Hydroformylation

, Authors: Connor S. MacNeil, Lauren N. Mendelsohn, Tyler P. Pabst, Paul J. Chirik
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-ftnzw-v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Dimerosesquiterpene and sesquiterpene lactones from Artemisia argyi inhibiting oncogenic PI3K/AKT signaling in melanoma cells

, Authors: Lara Dürr, Jakob K. Reinhardt, Maciej Dobrzynski, Tanja Hell, Martin Smiesko, Olivier Pertz, Matthias Hamburger, Eliane Garo
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-967sf
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

A FAIR approach for detecting and sharing PFAS hot-spot areas and water systems

, Authors: Sweta Ojha, P. Travis Thompson, Christian D. Powell, Hunter N.B. Moseley, Kelly G. Pennell
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-bt3f6
 
Category: Energy
,
Working Paper
, Title:

Co-Ion Desorption as the Main Charging Mechanism in Metallic 1T-MoS2 Supercapacitors

, Authors: Sheng Bi, Mathieu Salanne
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-5m3w2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Dipole Effects in the Photoelectron Angular Distributions of the Sulfur Monoxide Anion

, Authors: Beverly Ru, C. Annie Hart, Richard Mabbs, Samer Gozem, Anna I. Krylov, Andrei Sanov
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-43sd6
 
Category: Analytical Chemistry
,
Working Paper
, Title:

A headspace collection chamber for whole body volatilomics

, Authors: Stephanie Rankin-Turner, Conor McMeniman
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-rmf6x-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Tunable Porosity and Conjugation in Ferrocene Polymers of Intrinsic Microporosity

, Authors: Theresa Chua, Liza Welch, Congyu Qian, Jeremy Feldblyum, Heidi Hendrickson
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-5hbl9
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Insights into the Importance of WPD-Loop Sequence for Activity and Structure in Protein Tyrosine Phosphatases

, Authors: Ruidan Shen, Rory M. Crean, Keith J. Olsen, Marina Corbella, Ana Rita Calixto, Teisha Richan, Tiago A. S. Brandão, Ryan D. Berry, Alex Tolman, J. Patrick Loria, Sean J. Johnson, Shina Caroline Lynn Kamerlin, Alvan C. Hengge
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2021-8f6mc-v2
 
Category: Catalysis
,
Working Paper
, Title:

Extended Conjugation Refining Carbon Nitride for Non-sacrificial H2O2 Photosynthesis and Hypoxic Tumor Therapy

, Authors: Jin Ma, Xiaoxiao Peng, Zhixin Zhou, Hong Yang, Kaiqing Wu, Zhengzou Fang, Dan Han, Yanfeng Fang, Songqin Liu, Yanfei Shen, Yuanjian Zhang
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-7hxsc-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Strained delta-stacked motifs of nanogridarenes achieved via Pd-PPh3-controlled diastereoselective C-H gridization

, Authors: Linghai Xie, Ying Wei, Wei Huang, Xiangping Wu, Yongxia Wang, Yue Sun, Xue Du, Yongxia Yan, Chaoyang Dong, Wenjing Shi, Yuyu Liu, Juan Song, Lei YANG
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-mlqzc
 
Category: Materials Chemistry
,
Working Paper
, Title:

Asymmetric Polymerization-Induced Crystallization-Driven Self-Assembly of Helical, Rod-Coil Poly(Aryl Isocyanide) Block Copolymers

, Authors: Randall Scanga, Ali Shahrokhinia, Jake Borges, Michael Ross, James Reuther
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-qvrsd
 
Category: Organic Chemistry
,
Working Paper
, Title:

Heterocyclic Hemithioindigos: Highly Advantageous Properties as Molecular Photoswitches

, Authors: Verena Josef, Frank Hampel, Henry Dube
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-9l11s
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Method for Interfacing a Plate Reader Spectrometer Directly with an OT-2 Liquid Handling Robot

, Authors: Kaia N. Martin, Michael S. Rubsamen, Noah P. Kaplan, Mark P. Hendricks
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-6z4q1
 
Category: Materials Chemistry
,
Working Paper
, Title:

Operando visualisation of kinetically-induced lithium heterogeneities in single-particle layered Ni-rich cathodes

, Authors: Chao Xu, Alice J. Merryweather, Shrinidhi S. Pandurangi, Zhengyan Lun, David S. Hall, Vikram S. Deshpande, Norman A. Fleck, Christoph Schnedermann, Akshay Rao, Clare P. Grey
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-qb80n-v2
 
Category: Catalysis
,
Working Paper
, Title:

Realizing Direct Conversion of Glucose to Furfurals with Tunable Selectivity Utilizing a Carbon Dot Catalyst with Dual Acids Controlled by a Biphasic Medium

, Authors: Raina Sharma, Abdul Selim, Bhawana Devi, Senthil M Arumugam, Shaifali Sartaliya, Sasikumar Elumalai, Govindasamy Jayamurugan
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-lx28n-v2
 
Category: Polymer Science
,
Working Paper
, Title:

One-pot catalysis from renewable resources: A direct route to recyclable camphor-based polycarbonates

, Authors: Bo Jiang, Christophe Thomas
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-q76km-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Ring-Opening of Aziridines by Pendant Silanols Allows for Efficient Preparations of (±)-Clavaminol H, (±)-Des-Acetyl-Clavaminol H, (±)-Dihydrosphingosine, and (±)-N-Hexanoyldihydrosphingosine

, Authors: SHYAM SATHYAMOORTHI, Someshwar Nagamalla, Debobrata Paul, Joel Mague
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-vbqmv
 
Category: Materials Chemistry
,
Working Paper
, Title:

Tuning the Physical Properties of Carboxylated Cellulose Nanocrystal (cCNC) Microspheres by Hybridizing with Silk Fibroin (SF)

, Authors: Junqi Wu, Amelia Loesch-Zhang, Mark Andrews
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-p9grn
 
Category: Materials Science
,
Working Paper
, Title:

Mechanical Properties of Microspheres Assembled from Carboxylated Cellulose Nanocrystal Rods

, Authors: Junqi Wu, Mark Andrews
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-jmc23
 
Category: Catalysis
,
Working Paper
, Title:

PdH-Catalyzed Electrooxidative Hydrofluorination of Aryl-Substituted Alkenes with Nucleophilic Fluorine Source

, Authors: Anup Mandal, Jieun Jang, Baeho Yang, Hyunwoo Kim, Kwangmin Shin
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-z63ld
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Reversible Discrete-to-Extended Metal–Organic Polyhedra Trans-formation by Sulfonic Acid Surface Functionalization

, Authors: Javier Troyano, Satoshi Horike, Shuhei Furukawa
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-v60mb
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states

, Authors: Gabriel Braun, Itamar Borges Jr., Adelia A. J. Aquino, Hans Lischka, Felix Plasser, Silmar A. do Monte, Elizete Ventura, Saikat Mukherjee, Mario Barbatti
Version undefined posted 25 July 2022
Posted
Jul 25, 2022
10.26434/chemrxiv-2022-hs7ln
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Mechanistic Insights of IscU Conformation Regulation for Fe–S Cluster Biogenesis Revealed by Variable-Temperature Electrospray Ionization Native Ion Mobility Mass Spectrometry

, Authors: Cheng-Wei Lin, Shelby D. Oney-Hawthorne, Syuan-Ting Kuo, David P. Barondeau, David H. Russell
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-phxng-v2
 
Category: Materials Chemistry
,
Working Paper
, Title:

Pyrrolo[3,2-b]pyrrole-Based Covalent Triazine Framework: Three-dimensional Organization of Pores Using Nanostructural Spherical Carbon

, Authors: Agnieszka Hryniewicka, Joanna Breczko, Gabriela Siemiaszko, Anthony Papathanassiou, Kinga Góra-Marek, Karolina Tarach, Krzysztof Brzezinski, Anna Ilnicka, Artur Terzyk, Karolina Markiewicz, Luis Echegoyen, Marta Plonska-Brzezinska
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-h0n3l
 
Category: Energy
,
Working Paper
, Title:

Stability of magnesium binary and ternary compounds for batteries determined from first principles

, Authors: Mohsen Sotoudeh, Axel Gross
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-m90n5
 
Category: Catalysis
,
Working Paper
, Title:

Molybdenum/Quinone-Catalyzed Deoxygenative Coupling of Aromatic Carbonyl Compounds

, Authors: Somsuvra Banerjee, Takafumi Kobayashi, Kazuhiko Takai, Sobi Asako, Laurean Ilies
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-cgj4f
 
Category: Materials Chemistry
,
Working Paper
, Title:

Facile Supramolecular Strategy to Construct Solid Fluorophore@Metal-Organic Framework Composites

, Authors: Lavinia Trifoi, Gregory Hodgson, Nicholas Dogantzis, Sumaiya Soha, Roya Dayam, Costin Antonescu, Roberto Botelho, Stephen Wylie, Stefania Impellizzeri
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-hrxvj-v2
 
Category: Materials Science
,
Working Paper
, Title:

Insights on the amphiphillicity of cellulose: competitive wetting by polar and apolar solvents

, Authors: Xavier Martínez-Soler, David Malaspina, Irene Antón-Sales, Soledad Roig-Sánchez, Natalia Martínez-Reyes, Anna Laromaine, Anna Roig, JORDI FARAUDO
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-j81xv
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Force field parameterization and molecular dynamics simulation of epoxy resin interaction with boron nitride nanotube surfaces

, Authors: Swapnil Sambhaji Bamane, Krishan Kanhaiya, Hendrik Heinz, Gregory Odegard
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-c3t1b
 
Category: Physical Chemistry
,
Working Paper
, Title:

Theory of Protein Charge Transfer: Electron Transfer between Tryptophan Residue and Active Site of Azurin

, Authors: Setare Sarhangi, Dmitry Matyushov
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-fnfck
 
Category: Organic Chemistry
,
Working Paper
, Title:

Control of stereogenic oxygen in a helically chiral oxonium ion

, Authors: Owen Smith, Mihai Popescu, Madeleine Hindson, Robert Paton, Jonathan Burton, Martin Smith
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-l5qms
 
Category: Materials Science
,
Working Paper
, Title:

Tapered Cross-Section Photoelectron Spectroscopy Provides Insights into the Buried Interfaces of III-V Semiconductor Devices

, Authors: Clément Maheu, Mohammad Amin Zare Pour, Iban Damestoy, David Ostheimer, Maximilian Mellin, Dominik C. Moritz, Agnieszka Paszuk, Wolfram Jaegermann, Thomas Mayer, Thomas Hannappel, Jan Philipp Hofmann
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-7xf8p-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions

, Authors: Max Linke, Patrick Quoika, Berenger Bramas, Jürgen Köfinger, Gerhard Hummer
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-nnfrh
 
Category: Energy
,
Working Paper
, Title:

Deconvolution of Electrochemical Impedance Spectroscopy Data Using the Deep-Neural-Network-Enhanced Distribution of Relaxation Times

, Authors: Emanuele Quattrocchi, Baptiste Py, Adeleke Maradesa, Quentin Meyer, Chuan Zhao, Francesco Ciucci
Version undefined posted 26 July 2022
Posted
Jul 26, 2022
10.26434/chemrxiv-2022-b601x
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Design, Synthesis, and Lead Optimisation of CHVB Series Analogues as Potent Small Molecule Inhibitors of Chikungunya Virus

, Authors: Verena Battisti, Julia Moesslacher, Rana Abdelnabi, Pieter Leyssen, Ana Lucia Rosales Rosas, Lana Langendries, Mohammed Aufy, Christian Studenik, Jadel Kratz, Judith M. Rollinger, Gerhard Puerstinger, Johan Neyts, Leen Delang, Ernst Urban, Thierry Langer
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-z50q7
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Investigation on the relationship between lipid composition and structure in model membranes composed of extracted natural phospholipids

, Authors: Andreas Santamaria, Krishna C. Batchu, Giovanna Fragneto, Valerie Laux, Michael Haertlein, Tamim A. Darwish, Robert A. Russell, Eduardo Guzman, Nathan Zaccai, Armando Maestro
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-mrfmx
 
Category: Materials Chemistry
,
Working Paper
, Title:

[4]Triangulenes with Three Oxygen-Boron-Oxygen (OBO) Units and Anti-Kasha Emissions

, Authors: Xiaobin Chen, Dehui Tan, Jiaqi Dong, Tinghao Ma, Deng-Tao Yang
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-f0mfq
 
Category: Catalysis
,
Working Paper
, Title:

Efficiency and suitability when exploring the conformational space of phase transfer catalysts

, Authors: Iñigo Iribarren, Cristina Trujillo
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-nrmf0-v2
 
Category: Agriculture and Food Chemistry
,
Working Paper
, Title:

Amplification-free, highly sensitive electrochemical DNA-based sensor for simultaneous detection of stx1 and stx2 genes of Shiga toxin-producing E. coli (STEC)

, Authors: Alan O'Riordan, Luiza Wasiewska, Fernando Garrido Diaz, Sofia Rodrigues Teixeira, Catherine M. Burgess, Geraldine Duffy
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-rlnpl
 
Category: Materials Science
,
Working Paper
, Title:

Structure-dependent Photoluminescence from MA1-xFAxPbI3 with Evidence of Defect-suppression on FA-substitution

, Authors: Ashutosh Mohanty, D. D. Sarma
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-4ns3r
 
Category: Physical Chemistry
,
Working Paper
, Title:

Sella, an open-source automation-friendly molecular saddle point optimizer

, Authors: Eric Hermes, Khachik Sargsyan, Habib Najm, Judit Zádor
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-44r17-v2
 
Category: Materials Science
,
Working Paper
, Title:

Additive Manufacturing of Zn with Submicron Resolution and its Conversion into Zn/ZnO core-shell structures

, Authors: Mirco Nydegger, Adam Pruška, Henning Galinski, Renato Zenobi, Alain Reiser, Ralph Spolenak
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-cw76g
 
Category: Physical Chemistry
,
Working Paper
, Title:

Room-Temperature Quantitative Quantum Sensing of Lithium Ions with a Radical-Embedded Metal‒Organic Framework

, Authors: Lei Sun, Luming Yang, Jin-Hu Dou, Jian Li, Grigorii Skorupskii, Michael Mardini, Kong Ooi Tan, Tianyang Chen, Chenyue Sun, Julius Oppenheim, Robert Griffin, Mircea Dincă, Tijana Rajh
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-rf8cp
 
Category: Materials Science
,
Working Paper
, Title:

Accurate determination of interfacial thermal resistance inside particle-laden composites based on high-throughput computation and machine learning

, Authors: XIAOXIN LU, JIABIN HUANG, NAN CHENG, LINLIN REN, JIANBIN XU, JIBAO LU, RONG SUN
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-gjxkd
 
Category: Organic Chemistry
,
Working Paper
, Title:

Stereodivergent Total Syntheses of (+)-Mycaperoxides C, D, G Methyl Ester and (-)-Mycaperoxide B

, Authors: Mansour Dolé Kérim, Laurent Evanno, Laurent FERRIE
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-730lx-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Engineering chiral induction in centrally functionalized ortho-phenylenes

, Authors: Sumalatha Peddi, Juliana M. Livieri, Gopi Nath Vemuri, C. Scott Hartley
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-9r7nl
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Deprotonation from Diphenylsilane with Organosilyllithium Agents

, Authors: Atsushi Takamori, Shoki Ito, Yuji Naruse
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-kqbhw
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

pH Accelerates the Long-Range Electron Transfer for Lignin Degradation via Second-Sphere H-Bonding Interactions

, Authors: Wenhan Fang, Shishi Feng, Zhihui Jiang, WanZhen Liang, Pengfei Li, Binju Wang
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-2v28c
 
Category: Nanoscience
,
Working Paper
, Title:

Growth Synchronization and Size Control in Magic-Sized Semiconductor Nanocrystals

, Authors: Sergio Mazzotti, Aniket S. Mule, Andrew B. Pun, Jacob T. Held, David J. Norris
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-vbczc
 
Category: Physical Chemistry
,
Working Paper
, Title:

Importance and Impact of International Agreements or Protocols to Protect Ozone and Beyond

, Authors: Montu K. Hazra, Soumen Mondal, Saikat Sadhukhan
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-4rz5q
 
Category: Analytical Chemistry
,
Review
, Title:

On a black hole effect in bilinear curve resolution based on least squares

, Authors: Raffaele Vitale, Cyril Ruckebusch
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-34g1j-v3
 
Category: Polymer Science
,
Working Paper
, Title:

A Novel Instrumented Technique for Measuring Cutting Resistance of Plastics : Comparison with Rodent Bite Resistance Test and Other Mechanical Properties of the Material

, Authors: Manoj Praharaj Bhatnagar
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-xj26g
 
Category: Polymer Science
,
Working Paper
, Title:

Effect of Rheology and Role of External Forces on Indigenous Melt Centrifugal Spinning of PP fibers and their Transcrystalline Composites

, Authors: Manoj Praharaj Bhatnagar
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-xpv04
 
Category: Materials Science
,
Working Paper
, Title:

Low ice adhesion anti-icing coatings based on PEG release from mesoporous silica particles loaded SBS

, Authors: Aatif Ijaz, Annamaria Miko, Adem Levent Demirel
Version undefined posted 27 July 2022
Posted
Jul 27, 2022
10.26434/chemrxiv-2022-063l7
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Efficient machine learning configuration interaction for bond breaking problems

, Authors: Madhumita Rano, Debashree Ghosh
Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-866vj
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Influx of Near-Infrared Technology in Microplastic Community: A Bibliometric Analysis

, Authors: Monika Rani, Stefania FEDERICI, Laura Eleonora Depero
Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-3zgpp
 
Category: Materials Science
,
Working Paper
, Title:

Supramolecular Semiconductivity through Emerging Ionic Gates in Ion-Nanoparticle Superlattices

, Authors: Chiara Lionello, Claudio Perego, Andrea Gardin, Rafal Klajn, Giovanni M. Pavan
Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-0jm0l
 
Category: Physical Chemistry
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Working Paper
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Reversed Conductance Decay of 1D Topological Insulators by Tight-Binding Analysis

, Authors: Liang Li, Suman Gunasekaran, Yujing Wei, Colin Nuckolls, Latha Venkataraman
Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-b1fh9-v3
 
Category: Energy
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Working Paper
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The annual-hydrogen-yield-climatic-response ratio: evaluating the real-life performance of integrated solar water splitting devices

, Authors: Moritz Kölbach, Oliver Höhn, Kira Rehfeld, Manuel Finkbeiner, James Barry, Matthias M. May
Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-8rhkf-v2
 
Category: Organic Chemistry
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Working Paper
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Chemosensoric properties of porphyrin analogues ionized forms by spectrophotometry and quantum chemistry: 5,10,15,20-tetraphenyl-21-thia- and 5,10,15,20-tetraphenyl-21,23-dithiaporphyrins

, Authors: Svetlana Pukhovskaya, Yulia Ivanova, Sergey Syrbu, Anna Plotnikova, Ilya Kuzmin, Oleg Pimenov, Sergey Shlykov
Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-k4w76
 
Category: Chemical Engineering and Industrial Chemistry
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Working Paper
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Post-Combustion CO2 capture by vacuum swing adsorption using a hydrophobic metal-organic framework (MOF), CALF-20: Multi-objective optimization and experimental validation

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Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-c7hp1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Orthogonally protected diaminocyclopentenones as versatile synthons: Total synthesis of (±)-Agelastatin A

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Version undefined posted 28 July 2022
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Jul 28, 2022
10.26434/chemrxiv-2022-td42k
 
Category: Theoretical and Computational Chemistry
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Working Paper
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The Involvement of Triplet State in the Isomerization of Retinaloids

, Authors: Ofer Filiba, Veniamin Borin, Igor Schapiro
Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-ntlhr
 
Category: Physical Chemistry
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Working Paper
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Unsupervised Data-Driven Reconstruction of Molecular Motifs in Simple to Complex Dynamic Micelles

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Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-mfgdh
 
Category: Materials Science
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Working Paper
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PEDOT-NHS as a Versatile Conjugated Polyelectrolyte for Bioelectronics

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Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-x8kdv
 
Category: Organic Chemistry
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Working Paper
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Regioselective anti-Silyllithiation of Propargylic Alcohols

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Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-7frsl-v5
 
Category: Organic Chemistry
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Working Paper
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Stereospecific Synthesis of Silicon-Stereogenic Optically Active Silylboranes and their Application to Synthesis of Chiral Organosilanes

, Authors: Xihong Wang, Chi Feng, Koji Kubota, Hajime Ito
Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-ft3c6
 
Category: Organic Chemistry
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Working Paper
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A Photochemical Method to Evidence Directional Molecular Motions

, Authors: Benjamin Lukas Regen-Pregizer, Peter Mayer, Frank Hampel, Henry Dube
Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-4th46
 
Category: Energy
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Working Paper
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Systematic studies of graphite intercalation compounds with various intercalants using a first-principles calculation

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Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-6wvxm
 
Category: Organic Chemistry
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Working Paper
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Structural investigation of Fe(III)-salen complexes as "turn-on" fluorogenic probes for selective detection of pyrophosphate ions

, Authors: Eunice Y.-L. HUI, Dillon W. P. TAY, Jean-Alexandre RICHARD, Zuzana POHANCENIKOVA, Kévin RENAULT, Anthony ROMIEU, Yee Hwee LIM
Version undefined posted 28 July 2022
Posted
Jul 28, 2022
10.26434/chemrxiv-2022-xqlqc
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Structure-based computational approaches for characterization and functional elucidation of the fusion protein from Nipah henipavirus

, Authors: Abu Saim Mohammad Saikat
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-mcm52
 
Category: Biological and Medicinal Chemistry
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Working Paper
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In vitro Selection of an Aptamer Targeting SARS-CoV-2 Spike Protein with Nanopore Sequence Identification Reveals Discrimination Between the Authentic Strain and Omicron

, Authors: Maria Khrenova, Lyudmila Nikiforova, Fedor Grabovenko, Nadezhda Orlova, Maria Sinegubova, Denis Kolesov, Elena Zavyalova, Vera Spiridonova, Timofei Zatsepin, Maria Zvereva
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-d9gcs
 
Category: Materials Chemistry
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Working Paper
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Promoting Halogen-Bonding Catalyzed Living Radical Polymerization through Ion-Pair Strain

, Authors: Shiwen Huang, Xinjian Su, Yanzhen Wu, Xiao-Gen Xiong, Yiliu Liu
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-dbcvc
 
Category: Catalysis
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Working Paper
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A comparative spectroscopic study revealing why the CO2 electroreduction selectivity switches from CO to HCOO- at Cu-Sn and Cu-In based catalysts

, Authors: Gumaa El-Nagar, Fan Yang, Sasho Stojkovikj, Stefan Mebs, Siddharth Gupta, Ibbi Ahmet, Holger Dau, Matthew Mayer
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-7lwf0
 
Category: Catalysis
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Review
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What X-ray absorption spectroscopy can tell us about the active state of earth-abundant electrocatalysts for the oxygen evolution reaction

, Authors: Marcel Risch, Dulce M. Morales, Javier Villalobos, Denis Antipin
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-lhwmb
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Ferrocene as an electrochemical reporting surrogate of abasic sites in DNA

, Authors: Chiara Figazzolo, Yifeng Ma, James Tucker, Marcel Hollenstein
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-d2xxj-v2
 
Category: Catalysis
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Working Paper
, Title:

Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors

, Authors: Nobuya Tsuji, Pavel Sidorov, Chendan Zhu, Yuuya Nagata, Timur Gimadiev, Alexandre Varnek, Benjamin List
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-bsmdl
 
Category: Physical Chemistry
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Working Paper
, Title:

Helical versus linear Jahn-Teller distortions in allene and spiropentadiene radical cations

, Authors: Marc H. Garner, Rubén Laplaza, Clemence Corminboeuf
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-12x94
 
Category: Physical Chemistry
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Working Paper
, Title:

Trajectory Surface Hopping for a Polarizable Embedding QM/MM

, Authors: Mattia Bondanza, Baptiste Demoulin, Filippo Lipparini, Mario Barbatti, Benedetta Mennucci
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-nw4fb
 
Category: Catalysis
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Working Paper
, Title:

Electrocatalytic Ammonia Oxidation by a Low Coordinate Copper Complex

, Authors: Md Estak Ahmed, Mahdi Raghibi Boroujeni, Pokhraj Ghosh, Christine Greene, Subrata Kundu, Jeffery Bertke, Timothy Warren
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-h3nhx
 
Category: Polymer Science
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Working Paper
, Title:

Degradable Glycopolyester-Like Nanoparticles by Radical Ring-Opening Polymerization

, Authors: Théo Pesenti, Daniel Domingo-Lopez, Emilie Gillon, Nada Ibrahim, Samir Messaoudi, Anne Imberty, Julien Nicolas
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-fdkv1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Why Ortho- and Para-Hydroxy Metabolites Can Scavenge Free Radicals That the Parent Atorvastatin Cannot? Important Pharmacologic Insight from Quantum Chemistry

, Authors: Ioan Baldea
Version undefined posted 29 July 2022
Posted
Jul 29, 2022
10.26434/chemrxiv-2022-6z5sd
 
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