An iron-oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase

Autor: E P, Tchesnokov, A S, Faponle, C G, Davies, M G, Quesne, R, Turner, M, Fellner, R J, Souness, S M, Wilbanks, S P, de Visser, G N L, Jameson

Publikováno v: Chemical Communications (Cambridge, England)

Combined spectroscopic, kinetic and computational studies provide first evidence of a short-lived intermediate in the catalytic cycle of cysteine dioxygenase.
Cysteine dioxygenase is a key enzyme in the breakdown of cysteine, but its mechanism r

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::d5e0a27b5c0d2d9433ae2af19581163a
https://pubmed.ncbi.nlm.nih.gov/27297454

The first identification and spectroscopic characterisation of nonheme iron(III)-hypochlorite intermediates

Autor: A. Draksharapu, D. Angelone, M. G. Quesne, S. K. Padamati, L. Gxf3mez, R. Hage, M.Costas, W R . Browne, S. P. de Visser

Publikováno v: Angewandte Chemie - International Edition.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=erc_________::a129cb089e8e1bf11842f3966947c690

A Model 'Rebound' Mechanism of Hydroxylation by Cytochrome P450: Stepwise and Effectively Concerted Pathways, and Their Reactivity Patterns

Autor: Michael Filatov, S P De Visser, Nathan Harris, Shmuel Cohen, François Ogliaro, Sason Shaik

Publikováno v: Journal of the American Chemical Society. 122:8977-8989

A two-state rebound mechanism of alkane hydroxylation by a model active species of the enzyme cytochrome P450 is studied using density functional theoretic calculations. Theory corroborates Groves's rebound mechanism (Groves, J. T. J. Chem. Educ. 198

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a1ffa58cb09dd2d615e72641225edc3e
https://doi.org/10.1021/ja991878x

What is the difference between the manganese porphyrin and corrole analogues of cytochrome P450's compound I?

Autor: S P, de Visser, L F, Ogliaro, Z, Gross, S, Shaik

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany). 7(22)

Density functional calculations on oxo-manganese complexes of corrole (1) and porphyrin (2 and 3) show a fundamental difference. The ground state of I is the singlet manganese(V) state, 1A(MnV), in which corrole is a closed shell. In contrast, 2 and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::9421b3fa6e73c9d3c01101776aa039ed
https://pubmed.ncbi.nlm.nih.gov/11763464

Nature of the three-electron bond in H2S∴SH2+

Autor: S P De Visser, L. J. De Koning, Nico M. M. Nibbering, A Diefenbach, F M Bickelhaupt

Publikováno v: Bickelhaupt, F M, Diefenbach, A, De Visser, S P, De Koning, L J & Nibbering, N M M 1998, ' Nature of the three-electron bond in H 2 S∴SH 2 + ', Journal of Physical Chemistry A, vol. 102, no. 47, pp. 9549-9553 . https://doi.org/10.1021/jp9820830
Journal of Physical Chemistry A, 102(47), 9549-9553. American Chemical Society

We have investigated the model system H2S∴-SH2+, i.e., the sulfur-sulfur bound dimer radical cation of H2S, using both density functional theory (LDA, BP86, PW91) and traditional ab initio theory (up to CCSD-(T)). Our purpose is to better understan

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::11885c2682967ff7d1fb72712b7873b0
https://research.vu.nl/en/publications/0bfa6b00-cc3e-49f3-9d02-63d999d4ffa9