Redox chemistry of cobalamin and its derivatives

IA Dereven'kov, DS Salnikov… - Coordination Chemistry …, 2016 - Elsevier
A comprehensive review on redox reactions of Co (III), Co (II) and Co (I) forms of cobalamins
(vitamin B12) and their derivatives (cobinamide, cobyrinates) is presented. An influence of …

The inorganic chemistry of the cobalt corrinoids–an update

HM Marques - Journal of Inorganic Biochemistry, 2023 - Elsevier
The inorganic chemistry of the cobalt corrinoids, derivatives of vitamin B 12, is reviewed, with
particular emphasis on equilibrium constants for, and kinetics of, their axial ligand …

Cobalt-catalyzed radical-mediated carbon–carbon scission via a radical-type migratory insertion

JB Liu, XJ Liu, JCA Oliveira, DZ Chen… - Chemical Science, 2023 - pubs.rsc.org
Migratory insertions of alkenes into metal–carbon (M–C) bonds are elementary steps in
diverse catalytic processes. In the present work, a radical-type migratory insertion that …

Ab Initio Methods in First‐Row Transition Metal Chemistry

M Feldt, QM Phung - European Journal of Inorganic Chemistry, 2022 - Wiley Online Library
Molecules containing 3d transition metals (TMs) are usually associated with versatile
reactivity, partly due to their complicated electronic structures involving multiple close‐lying …

Vitamin B12: An efficient cobalt catalyst for sustainable generation of radical species

M Giedyk, D Gryko - Chem Catalysis, 2022 - cell.com
Vitamins are organic molecules that are essential for the proper functioning of mammalian
cells. Among them, there is only one organometallic molecule: vitamin B 12, a natural cobalt …

Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and …

K Boguslawski, A Leszczyk, A Nowak, F Brzęk… - Computer Physics …, 2021 - Elsevier
Abstract Pythonic Black-box Electronic Structure Tool (PyBEST) represents a fully-fledged
modern electronic structure software package developed at Nicolaus Copernicus University …

A DMRG/CASPT2 investigation of metallocorroles: quantifying ligand noninnocence in archetypal 3d and 4d element derivatives

QM Phung, Y Muchammad, T Yanai, A Ghosh - JACS Au, 2021 - ACS Publications
Hybrid density functional theory (B3LYP) and density matrix renormalization group (DMRG)
theory have been used to quantitatively compare the degree of ligand noninnocence …

Electronic structure of the S1 state in methylcobalamin: Insight from CASSCF/MC‐XQDPT2, EOM‐CCSD, and TD‐DFT calculations

K Kornobis, N Kumar, P Lodowski… - Journal of …, 2013 - Wiley Online Library
The methylcobalamin cofactor (MeCbl), which is one of the biologically active forms of
vitamin B12, has been the subject of many spectroscopic and theoretical investigations …

Mechanism of cobalamin-mediated reductive dehalogenation of chloroethylenes

L Ji, C Wang, S Ji, KP Kepp, P Paneth - ACS Catalysis, 2017 - ACS Publications
Reductive dehalogenation involving cobalamin has been proved to be a promising strategy
for decontamination of the polluted environment. However, cob (I) alamin can act both as a …

Kinetics and mechanism of oxidation of super-reduced cobalamin and cobinamide species by thiosulfate, sulfite and dithionite

IA Dereven'kov, DS Salnikov, SV Makarov… - Dalton …, 2013 - pubs.rsc.org
We studied the kinetics of reactions of cob (I) alamin and cob (I) inamide with thiosulfate,
sulfite, and dithionite by UV-Visible (UV-Vis) and stopped-flow spectroscopy. We found that …