19 F NMR viewed through two different lenses: ligand-observed and protein-observed 19 F NMR applications for fragment-based drug discovery

CR Buchholz, WCK Pomerantz - RSC chemical biology, 2021 - pubs.rsc.org
19F NMR has emerged as a powerful tool in drug discovery, particularly in fragment-based
screens. The favorable magnetic resonance properties of the fluorine-19 nucleus, the …

Protein-observed fluorine NMR: a bioorthogonal approach for small molecule discovery: miniperspective

KE Arntson, WCK Pomerantz - Journal of medicinal chemistry, 2016 - ACS Publications
The 19F isotope is 100% naturally abundant and is the second most sensitive and stable
NMR-active nucleus. Unlike the ubiquitous hydrogen atom, fluorine is nearly absent in …

A systematic analysis of atomic protein–ligand interactions in the PDB

RF de Freitas, M Schapira - Medchemcomm, 2017 - pubs.rsc.org
As the protein databank (PDB) recently passed the cap of 123 456 structures, it stands more
than ever as an important resource not only to analyze structural features of specific …

Ligand-based fluorine NMR screening: principles and applications in drug discovery projects

C Dalvit, A Vulpetti - Journal of medicinal chemistry, 2018 - ACS Publications
Ligand-based fluorine NMR screening has gained popularity in drug discovery projects
during the past decade and has become a powerful methodology to produce high quality …

Fluorine as a hydrogen‐bond acceptor: Experimental evidence and computational calculations

C Dalvit, C Invernizzi, A Vulpetti - Chemistry–A European …, 2014 - Wiley Online Library
Hydrogen‐bonding interactions play an important role in many chemical and biological
systems. Fluorine acting as a hydrogen‐bond acceptor in intermolecular and intramolecular …

High‐Voltage Deep Eutectic Solvent Electrolyte with Fluorine‐Substituted Acetamide Additive for Aluminum‐ion Battery

W Chu, X Zhang, S Zhao, M Tang, S Li… - Advanced Functional …, 2024 - Wiley Online Library
The high‐voltage stability of electrolytes profoundly determines electrochemical reactions,
which is still one of the major obstacles for develo** advanced Al‐ion batteries (AIBs) …

Organic fluorine as a hydrogen-bond acceptor: recent examples and applications

PA Champagne, J Desroches, JF Paquin - Synthesis, 2015 - thieme-connect.com
For more than three decades, the ability of a fluorine atom involved in a C–F bond to act as a
hydrogen-bond acceptor has been a controversial issue. Throughout the years, more and …

Protecting group free radical C–H trifluoromethylation of peptides

N Ichiishi, JP Caldwell, M Lin, W Zhong, X Zhu… - Chemical …, 2018 - pubs.rsc.org
Two radical-based approaches have been developed to effect the trifluoromethylation of aryl
C–H bonds in native peptides either using stoichiometric oxidant or visible light photoredox …

Fluorine in drug design: a case study with fluoroanisoles

L **ng, DC Blakemore, A Narayanan… - …, 2015 - Wiley Online Library
Anisole and fluoroanisoles display distinct conformational preferences, as evident from a
survey of their crystal structures. In addition to altering the free ligand conformation, various …

Advancing Reversible Magnesium− Sulfur Batteries with a Self-Standing Gel Polymer Electrolyte

L Wang, S Riedel, A Welle, S Vincent… - ACS Applied Energy …, 2024 - ACS Publications
Magnesium (Mg) metal batteries exhibit great potential as energy storage systems beyond
lithium, owing to their inherent safety, material sustainability, and low cost. However, their …