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A Model Study on the Possible Effects of an External Electrical Field on Enzymes Having Dinuclear Iron Cluster [2Fe-2S]
Author
Source
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-9, 9 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-05-01
Country of Publication
Egypt
No. of Pages
9
Main Subjects
Natural & Life Sciences (Multidisciplinary)
Medicine
Information Technology and Computer Science
Abstract EN
Hydrogenases which catalyze the H2 ↔ 2H+ + 2e− reaction are metalloenzymes that can be divided into two classes, the NiFe and Fe enzymes, on the basis of their metal content.
Iron-sulfur clusters [2Fe-2S] and [4Fe-4S] are common in ironhydrogenases.
In the present model study, [2Fe-2S] cluster has been considered to visualize the effect of external electric field on various quantum chemical properties of it.
In the model, all the cysteinyl residues are in the amide form.
The PM3 type semiempirical calculations have been performed for the geometry optimization of the model structure in the absence and presence of the external field.
Then, single point DFT calculations (B3LYP/6-31+G(d)) have been carried out.
Depending on the direction of the field, the chemical reactivity of the model enzyme varies which suggests that an external electric field could, under proper conditions, improve the enzymatic hydrogen production.
American Psychological Association (APA)
Türker, Lemi. 2012. A Model Study on the Possible Effects of an External Electrical Field on Enzymes Having Dinuclear Iron Cluster [2Fe-2S]. The Scientific World Journal،Vol. 2012, no. 2012, pp.1-9.
https://search.emarefa.net/detail/BIM-513759
Modern Language Association (MLA)
Türker, Lemi. A Model Study on the Possible Effects of an External Electrical Field on Enzymes Having Dinuclear Iron Cluster [2Fe-2S]. The Scientific World Journal No. 2012 (2012), pp.1-9.
https://search.emarefa.net/detail/BIM-513759
American Medical Association (AMA)
Türker, Lemi. A Model Study on the Possible Effects of an External Electrical Field on Enzymes Having Dinuclear Iron Cluster [2Fe-2S]. The Scientific World Journal. 2012. Vol. 2012, no. 2012, pp.1-9.
https://search.emarefa.net/detail/BIM-513759
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-513759