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DFT study of Zn(II) and Cu(I) ion interactions with nucleic acid bases: HOMO-LUMO approach - Couverture souple

Parajuli, Raghab

 
9783659361814: DFT study of Zn(II) and Cu(I) ion interactions with nucleic acid bases: HOMO-LUMO approach
Couverture souple
ISBN 10 : 365936181X ISBN 13 : 9783659361814
Editeur : LAP LAMBERT Academic Publishing, 2013

Synopsis

Metal ions play essential role in biological systems. They are very effective in controlling an enzyme catalyzed reaction and without them biochemical reactions catalyzed by certain metalloenzymes would precede either very slowly or not at all. Many studies are being carried out on the interaction of metal ions with nucleic acids both in the experimental and theoretical levels. Such studies, when carried out in theoretical levels, help experimental researchers to rationalize their problems and eliminate guess works to large extents. The book emphasizes the use of Density functional theory (DFT) method in exploring the interactions of metal ions specially Zn (II) and Cu(I) ions with various nucleic acid bases. The frontier orbital approach (HOMO-LUMO) of the study indicates an alternate way for the predictions of the most favorable interactions between the metal ion and nucleobases. Importance of the HOMO-LUMO energy gap in predicting the most favorable attachments of metal ions with bases is thoroughly studied.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

Metal ions play essential role in biological systems. They are very effective in controlling an enzyme catalyzed reaction and without them biochemical reactions catalyzed by certain metalloenzymes would precede either very slowly or not at all. Many studies are being carried out on the interaction of metal ions with nucleic acids both in the experimental and theoretical levels. Such studies, when carried out in theoretical levels, help experimental researchers to rationalize their problems and eliminate guess works to large extents. The book emphasizes the use of Density functional theory (DFT) method in exploring the interactions of metal ions specially Zn (II) and Cu(I) ions with various nucleic acid bases. The frontier orbital approach (HOMO-LUMO) of the study indicates an alternate way for the predictions of the most favorable interactions between the metal ion and nucleobases. Importance of the HOMO-LUMO energy gap in predicting the most favorable attachments of metal ions with bases is thoroughly studied.

Biographie de l'auteur

The author is serving as an assistant professor in the Deptt. of Chemistry, North Lakhimpur College, Assam (India) since 2005. He was awarded the Ph.D. degree by the Gauhati University, Assam (India) for his work in the field of theoretical chemistry and drug designing in the year 2007 and has published several research papers in reputed journals

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2013
Langue
anglais
ISBN 10 
365936181X
ISBN 13 
9783659361814
Reliure
Broché
Nombre de pages
56
Coordonnées du fabricant
non disponible
Personne responsable
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