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Crystalline and local vibrations of paired bases in poly(dG)‐poly(dC) interacting with the h‐b ‐1 hydrogen bond
Author(s) -
Grebneva H. A.,
Tolpygo K. B.
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)62:1<115::aid-qua11>3.0.co;2-c
Subject(s) - hydrogen bond , vibration , chemistry , dispersion (optics) , excitation , guanine , hydrogen , bond length , cytosine , molecular physics , chain (unit) , atomic physics , deformation (meteorology) , crystallography , physics , dna , molecule , nucleotide , optics , quantum mechanics , crystal structure , biochemistry , organic chemistry , meteorology , gene
Some types of atomic vibrations in a chain of the DNA type constructed of G‐C pairs were studied. These are the atomic vibrations of the lateral groups of guanine and N(3)H(1)H(2) of cytosine connected by the hydrogen bond h‐b ‐1 and the vibrations of the centers of masses of bases in the direction parallel to bonds h‐b‐i, i = 1–3. The vibrations mix partially due to the dependence of the energy of the bond h‐b ‐1 on its length and split into two bands because of the interaction between neighboring base pairs. It was shown that the excitation of the bond h‐b ‐1 results in the splitting off of the two local vibrations and in a small deformation of the chain in the vicinity of the pair with the localized hydrogen bond. The law of the dispersion of band vibrations, values of the split‐off frequencies, and degree of poly(dG)‐poly(dC) chain deformation were determined. © 1997 John Wiley & Sons, Inc.