Intrinsic Rashba coupling due to hydrogen bonding in DNA.


Journal

The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360

Informations de publication

Date de publication:
28 Sep 2019
Historique:
entrez: 3 10 2019
pubmed: 3 10 2019
medline: 9 10 2019
Statut: ppublish

Résumé

We present an analytical model for the role of hydrogen bonding on the spin-orbit coupling of a model DNA molecule. Here, we analyze in detail the electric fields due to the polarization of the hydrogen bond on the DNA base pairs and derive, within a tight binding analytical band folding approach, an intrinsic Rashba coupling which should dictate the order of the spin active effects in the chiral-induced spin selectivity effect. The coupling found is ten times larger than the intrinsic coupling estimated previously and points out to the predominant role of hydrogen bonding in addition to chirality in the case of biological molecules. We expect similar dominant effects in oligopeptides, where the chiral structure is supported by hydrogen-bonding and bears on orbital carrying transport electrons.

Identifiants

pubmed: 31575191
doi: 10.1063/1.5121025
doi:

Substances chimiques

Oligopeptides 0
DNA 9007-49-2

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

125102

Auteurs

S Varela (S)

School of Chemical Sciences and Engineering, Yachay Tech University, 100119 Urcuquí, Ecuador.

B Montañes (B)

Laboratorio de Física Estadística de Sistemas Desordenados, Centro de Física, Instituto Venezolano de Investigaciones Cíentificas (IVIC), Apartado 21827, Caracas 1020 A, Venezuela.

F López (F)

School of Chemical Sciences and Engineering, Yachay Tech University, 100119 Urcuquí, Ecuador.

B Berche (B)

Laboratoire de Physique et Chimie Théoriques, UMR Université de Lorraine-CNRS 7019, 54506 Vandœuvre les Nancy, France.

B Guillot (B)

Universite de Lorraine, Institut Jean Barriol, Laboratoire de Cristallographie, Résonance Magnétique et Modélisations CRM2, UMR CNRS-UL 7036, Nacy, France.

V Mujica (V)

School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287-1604, USA.

E Medina (E)

Yachay Tech University, School of Physical Sciences and Nanotechnology, 100119 Urcuquí, Ecuador.

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Classifications MeSH