Effect of the external electric field on the structure and reactivity of deoxyribonucleic acids

• Autorzy: Mazurkiewicz J. , Ciesielski W. , Tomasik P. , Tomasik J.P.
• Języki publikacji: EN

Abstrakty

EN

The study of the effects of static external electric fields (EEF) on the structure of several biologically important compounds has been now extended to the structure of deoxyribonucleic acids and interactions via intermolecular hydrogen bonds in the thymine-adenine and cytosine-guanine pairs. The present study involves computations of changes in energy, and dipole moments, charge density and bond lengths of fragments of deoxyribonucleic acid in response to applied external electric fields of 0.00, 5.14, 25.70 and 51.40 ∙ 106 MV cm-1. The computations were performed with the help of a commercial package (HyperChem 8.0) software together with the PM3 method for optimization of the conformation of the molecules. The raise in the EEF strength to 5.14 ∙ 106 MV cm-1 has a subtle effect on the molecular energy of the systems. On elevating the strength up to 25.70 ∙ 106 MV cm-1 that decrease in molecular energy was more significant. EEF has a tremendous effect on their reorientation in the Cartesian system, geometry of deoxyribonucleic acid and the ability of particular bases within it to form intermolecular hydrogen bonds. Observed changes evoked by the EEF were specific for particular molecules. They resulted mainly from the polarization of the bonds and from steric deformations of the molecules. Based on the energy criterion, regardless of the EEF strength applied, the ACGT(adeniane-cytosine-guanine-thymine) fragment with T1, C2, G2 and A1 tautomers is more stable than that fragment bearing T1, C1, G1 and A1 tautomers. The EEF of the strength up to 51.40 ∙ 106 MV cm-1 breaks neither T-A nor C-Gintermolecular bonds but only influence their lengths. EEF, independent of its strength, only slightly influenced the charge density of the phosphoryl group of phosphorylated deoxyribose. A possible splitting of the bonds in that group was only slightly facilitated

• Wydawca: -
• Czasopismo: Polish Journal of Natural Sciences
• Rocznik: 2019
• Tom: 34
• Numer: 3
• Opis fizyczny: p.383-394,fig.,ref.

Twórcy

autor

Mazurkiewicz J.

• Department of Chemistry and Physics, University of Agriculture in Krakow, Krakow, Poland

autor

Ciesielski W.

• Institute of Chemistry, Environmental Protection and Biotechnology, Jan Dlugosz Academy in Czestochowa, Czestochowa, Poland

autor

Tomasik P.

• Nantes Nanotechnological Systems in Boleslawiec, Dolne Mlyny 21, 57-700 Boleslawiec, Poland

autor

Tomasik J.P.

• Department of Clinical Biochemistry, Collegium Medicum Jagiellonian University in Krakow, Krakow, Poland

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