scholarly journals First-principle computation of zero-field splittings: Application to a high valent Fe(IV)-oxo model of nonheme iron proteins

2005 ◽  
Vol 123 (20) ◽  
pp. 204902 ◽  
Author(s):  
Fredy Aquino ◽  
Jorge H. Rodriguez
Keyword(s):  
Nonheme Iron ◽  
Zero Field ◽  
First Principle ◽  
Iron Proteins ◽  
High Valent

Models for high-valent centers in nonheme iron proteins

1991 ◽  
Vol 43 (2-3) ◽  
pp. 566 ◽  
Author(s):  
Randolph A. Leising ◽  
Bridget A. Brennan ◽  
Lawrence Que ◽  
Brian G. Fox ◽  
Eckard Münck
Keyword(s):  
Nonheme Iron ◽  
Iron Proteins ◽  
High Valent

Moessbauer spectroscopy of nonheme iron proteins

Biochemistry ◽  
1968 ◽  
Vol 7 (4) ◽  
pp. 1591-1596 ◽  
Author(s):  
Thomas H. Moss ◽  
Alan J. Bearden ◽  
Robert G. Bartsch ◽  
Michael A. Cusanovich ◽  
Anthony. San Pietro
Keyword(s):  
Nonheme Iron ◽  
Moessbauer Spectroscopy ◽  
Iron Proteins

scholarly journals Computational studies of DNA base repair mechanisms by nonheme iron dioxygenases: selective epoxidation and hydroxylation pathways

2020 ◽  
Vol 49 (14) ◽  
pp. 4266-4276
Author(s):  
Reza Latifi ◽  
Jennifer L. Minnick ◽  
Matthew G. Quesne ◽  
Sam P. de Visser ◽  
Laleh Tahsini
Keyword(s):  
Nonheme Iron ◽  
Dna Bases ◽  
Dft Study ◽  
Computational Studies ◽  
Repair Enzymes ◽  
Dna Base ◽  
Repair Mechanisms ◽  
High Valent

A detailed QM/MM and DFT study into the structure and reactivity of AlkB repair enzymes with alkylated DNA bases is reported. In particular, we investigate the aliphatic hydroxylation and CC epoxidation mechanisms of the enzymes by a high-valent iron(iv)–oxo intermediate.

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