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Biological and Medicinal Chemistry

Targeted photodynamic neutralization of SARS-CoV-2 mediated by singlet oxygen

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Polymer Science

Augmenting Polymer Datasets by Iterative Rearrangement

Stanley Lo, Martin Seifrid, Théophile Gaudin, Alán Aspuru-Guzik

Theoretical and Computational Chemistry

[4Fe-4S]-mediated proton-coupled electron transfer enables the efficient degradation of chloroalkenes by reductive dehalogenases

Xuan Zhang, Zikuan Wang, Zhen Li, Sason Shaik, Binju Wang

Inorganic Chemistry

Combined Machine Learning, Computational and Experimental Analysis of the Iridium(III) Complexes with Red to Near-IR Emission

Anas Karuth, Gerardo Casanola-Martin, Levi Lystrom, Wenfang Sun, Dmitri Kilin, Svetlana Kilina, Bakhtiyor Rasulev

Materials Chemistry

Three-in-one: dye-volatile cocrystals exhibiting intensity-dependent photo-chromic, photo-mechanical and photo-carving response

Tristan Borchers, Filip Topic, Mihails Arhangelskis, Jogirdas Vainauskas, Hatem Titi, Oleksandr Bushuyev, Christopher Barrett, Tomislav Friscic

Theoretical and Computational Chemistry

Accelerating Organic Electronic Materials Design with Low-Cost, Robust Molecular Reorganization Energy Predictions

Cheng-Han Li, Daniel Tabor

Theoretical and Computational Chemistry

QM/MM Simulations on NVIDIA and AMD GPUs

Madushanka Manathunga, Hasan Metin Aktulga, Andreas W. Goetz, Kenneth M. Merz, Jr

Materials Science

Mapping nanocrystalline disorder within an amorphous metal–organic framework

Adam Sapnik, Chao Sun, Joonatan Laulainen, Duncan Johnstone, Rik Brydson, Timothy Johnson, Paul Midgley, Thomas Bennett, Sean Collins

High-Throughput Experimentation, Theoretical Modeling, and Human Intuition: Lessons Learned in Metal-Organic Framework-Supported Catalyst Design

Massimiliano Delferro, Katherine E. McCullough, Daniel S. King, Saumil Chheda, Magali Ferrandon, Timothy A. Goetjen, Zoha H. Syed, Trent R. Graham, Nancy Washton, Omar Farha, Laura Gagliardi

Inorganic Chemistry

Adsorptive Removal of Iodate Oxyanions from Water using a Zr-based Metal–Organic Framework

Christopher Copeman, Hudson A. Bicalho, Maxwell W. Terban, Diego Troya, Martin Etter, Paul L. Frattini, Daniel W. Wells, Ashlee J. Howarth

Analytical Chemistry

Exploiting Directed Self-Assembly and Disassembly for off-to-on Fluorescence Responsive Live Cell Imaging

Niamh Curtin, Donal O'Shea, Massimiliano Garre, Jean-Baptiste Bodin, Nicolas Solem, Rachel Meallet-Renault

Organic Chemistry

Halogen-bonding-promoted Photo-induced C–X Borylation of Aryl Halide using Phenol Derivatives

Kazuki Matsuo, Eiji Yamaguchi, Akichika Itoh

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