Influence of a charged graphene surface on the orientation and conformation of covalently attached oligonucleotides: a molecular dynamics study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F12%3A00379074" target="_blank" >RIV/61388963:_____/12:00379074 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60076658:12310/12:43883300 RIV/60076658:12110/12:43883300

Výsledek na webu

<a href="http://dx.doi.org/10.1039/c2cp23540d" target="_blank" >http://dx.doi.org/10.1039/c2cp23540d</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c2cp23540d" target="_blank" >10.1039/c2cp23540d</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Influence of a charged graphene surface on the orientation and conformation of covalently attached oligonucleotides: a molecular dynamics study

Popis výsledku v původním jazyce

Molecular dynamics simulations of oligonucleotides anchored via an aliphatic linker to a graphene surface were performed in order to investigate the role of the surface charge density in the structure and orientation of attached DNA. Two types of interactions of DNA with the surface are crucial for the stabilisation of the DNA?surface system. Whereas for a surface with a zero or low positive charge density the dispersion forces between the base(s) and the surface dominate, the higher charge densities applied on the surface lead to a strong electrostatic interaction between the phosphate groups of DNA, the surface and the ions. A difference in the behaviour of the double stranded DNA and single stranded DNA was observed. The double stranded DNA interacts with the surface at low- and zero-charge densities exclusively by the nearest base pair, keeping its geometry close to the canonical B-DNA. The single stranded DNA, owing to its much higher flexibility, has a tendency to maximise the at

Název v anglickém jazyce

Influence of a charged graphene surface on the orientation and conformation of covalently attached oligonucleotides: a molecular dynamics study

Popis výsledku anglicky

Molecular dynamics simulations of oligonucleotides anchored via an aliphatic linker to a graphene surface were performed in order to investigate the role of the surface charge density in the structure and orientation of attached DNA. Two types of interactions of DNA with the surface are crucial for the stabilisation of the DNA?surface system. Whereas for a surface with a zero or low positive charge density the dispersion forces between the base(s) and the surface dominate, the higher charge densities applied on the surface lead to a strong electrostatic interaction between the phosphate groups of DNA, the surface and the ions. A difference in the behaviour of the double stranded DNA and single stranded DNA was observed. The double stranded DNA interacts with the surface at low- and zero-charge densities exclusively by the nearest base pair, keeping its geometry close to the canonical B-DNA. The single stranded DNA, owing to its much higher flexibility, has a tendency to maximise the at

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2012

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

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Svazek periodika

14

Číslo periodika v rámci svazku

12

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

13

Strana od-do

4217-4229

Kód UT WoS článku

000300946600022

EID výsledku v databázi Scopus

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