Local charge distributions, electric dipole moments, and local electric fields influence reactivity patterns and guide regioselectivities in α-ketoglutarate-dependent non …

SP De Visser, G Mukherjee, HS Ali… - Accounts of chemical …, 2021 - ACS Publications
Conspectus Non-heme iron dioxygenases catalyze vital processes for human health related
to the biosynthesis of essential products and the biodegradation of toxic metabolites. Often …

Promoting oxygen reduction reaction on atomically dispersed Fe sites via establishing hydrogen bonding with the neighboring P atoms

L Zong, K Fan, P Li, F Lu, B Li… - Advanced Energy …, 2023 - Wiley Online Library
Single atom catalysts (SACs) comprised of nitrogen‐coordinated transition metal (TM–N–C)
moieties show encouraging performance towards the oxygen reduction reaction (ORR) …

Distinct chemical factors in hydrolytic reactions catalyzed by metalloenzymes and metal complexes

LF Serafim, VM Jayasinghe-Arachchige… - Chemical …, 2023 - pubs.rsc.org
The selective hydrolysis of the extremely stable phosphoester, peptide and ester bonds of
molecules by bio-inspired metal-based catalysts (metallohydrolases) is required in a wide …

Coordination tuning of metal porphyrins for improved oxygen evolution reaction

H Lv, XP Zhang, K Guo, J Han, H Guo… - Angewandte Chemie …, 2023 - Wiley Online Library
The nucleophilic attack of water or hydroxide on metal‐oxo units forms an O− O bond in the
oxygen evolution reaction (OER). Coordination tuning to improve this attack is intriguing but …

Modeling the enzyme specificity by molecular cages through regulating reactive oxygen species evolution

JP Yuan, ZJ Guan, HY Lin, B Yan… - Angewandte Chemie …, 2023 - Wiley Online Library
Mimicking the active site and the substrate binding cavity of the enzyme to achieve
specificity in catalytic reactions is an essential challenge. Herein, porous coordination cages …

Hydrogen bonding-assisted and nonheme manganese-catalyzed remote hydroxylation of C–H bonds in nitrogen-containing molecules

J Chen, W Song, J Yao, Z Wu, YM Lee… - Journal of the …, 2023 - ACS Publications
The development of catalytic systems capable of oxygenating unactivated C–H bonds with
excellent site-selectivity and functional group tolerance under mild conditions remains a …

Electron redistribution and proton transfer induced by atomically fully exposed Cu-O-Fe clusters coupled with single-atom sites for efficient oxygen electrocatalysis

E Zhu, T Zheng, J Yu, C Shi, L Zhou, H **, J Yang… - Energy Storage …, 2024 - Elsevier
Single-atom catalysts have garnered significant attention by showing sparkling performance
in the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) on the air …

What drives radical halogenation versus hydroxylation in mononuclear nonheme iron complexes? A combined experimental and computational study

EF Gérard, V Yadav, DP Goldberg… - Journal of the American …, 2022 - ACS Publications
Nonheme iron halogenases are unique enzymes in nature that selectively activate an
aliphatic C–H bond of a substrate to convert it into C–X (X= Cl/Br, but not F/I). It is proposed …

Rational design of first-row transition metal complexes as the catalysts for oxidation of arenes: a homogeneous approach

A Rajeev, M Balamurugan, M Sankaralingam - ACS Catalysis, 2022 - ACS Publications
Researchers have always been intrigued by one-step selective hydroxylation of aromatic
compounds since achieving adequate selectivity toward the target product and avoiding …

Electrostatic perturbations in the substrate‐binding pocket of taurine/α‐ketoglutarate dioxygenase determine its selectivity

HS Ali, SP de Visser - Chemistry–A European Journal, 2022 - Wiley Online Library
Taurine/α‐ketoglutarate dioxygenase is an important enzyme that takes part in the cysteine
catabolism process in the human body and selectively hydroxylates taurine at the C1 …