A Theoretical Study of Hydrogen Bonding Effect on 17O and 14N Electic Field Gradiant Tensors in the base pairs of Guanine – Cytosine and Adenine –Thymine in the Real Crystalline Structure of DNA

Anafcheh, Maryam and Ghafouri, Reza and Hadipour, Nasser L. A Theoretical Study of Hydrogen Bonding Effect on 17O and 14N Electic Field Gradiant Tensors in the base pairs of Guanine – Cytosine and Adenine –Thymine in the Real Crystalline Structure of DNA. In: 11th Iranian Physical Chemistry Seminar-July 2008, July 2008, Ardabil, Iran.

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Abstract

Hydrogen bonds (HBs) play an essential role in the biological systems, especially between base pairs in nucleic acids. Stabilization of nucleic acids is due to the formation of intermolecular HBs. The hydrogen bond formation in a Watson-Crick type base pair (Fig1) is fundamental for molecular recognition in the duplex formation of nucleic acids. NMR parameters are very sensitive to the HBs and are useful elements in the study of hydrogen-bonded systems, but a better technique is nuclear quadrupole resonance (NQR). Nuclei with spin angular momentum greater than one-half have the electric quadrupole moment, eQ .The important physical parameters that can be determined both theoretically and experimentally are the nuclear quadrupole coupling constant, CQ , and the asymmetry parameter, 4Q .CQ indicated the interaction between eQ and EFG which originates from the internal electrostatic charges at the site of the nucleus, where as yQ measures the derivation of EFG tensors from the axial symmetry. Although there are many theoretical studies on the hydrogen bond energy of the Watson-Crick type base pairs, but in the real crystalline structure of DNA have not yet been theoretically studied. The present research for the first time used the actual crystalline phase instead of model compounds to directly study the properties of intermolecular HBs.

Item Type: Conference or Workshop Item (Paper)
Persian Title: A Theoretical Study of Hydrogen Bonding Effect on 17O and 14N Electic Field Gradiant Tensors in the base pairs of Guanine – Cytosine and Adenine –Thymine in the Real Crystalline Structure of DNA
Persian Abstract: -
Subjects: Divisions > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Divisions: Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Subjects > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Date Deposited: 17 Jun 2019 05:23
Last Modified: 17 Jun 2019 05:23
URI: http://repository.uma.ac.ir/id/eprint/6808

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