Binding of native DNA to MoS2 nanoflakes: The role of defects and edge atoms of MoS2 nanostructures in their biofunctionalization

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F46747885%3A24620%2F25%3A00013725" target="_blank" >RIV/46747885:24620/25:00013725 - isvavai.cz</a>

Result on the web

<a href="https://pubs.aip.org/aip/ltp/article/51/10/1283/3365562/Binding-of-native-DNA-to-MoS2-nanoflakes-The-role" target="_blank" >https://pubs.aip.org/aip/ltp/article/51/10/1283/3365562/Binding-of-native-DNA-to-MoS2-nanoflakes-The-role</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/10.0039430" target="_blank" >10.1063/10.0039430</a>

Result language

angličtina

Original language name

Binding of native DNA to MoS2 nanoflakes: The role of defects and edge atoms of MoS2 nanostructures in their biofunctionalization

Original language description

In this work, the binding of native DNA to MoS2 nanoflakes (FLs) was studied by using UV–visible absorption spectroscopy, thermal denaturation method, transmission electron microscopy (TEM), temperature-dependent dynamic light scattering (DLS), and the DFT computational-chemistry method. Analysis of the experimental data: TEM images and thermal denaturation measurements showed the binding of the biopolymer with MoS2 FLs. An increase in the melting temperature of DNA and a decrease in the hyperchromic coefficient at binding with MoS2 FLs indicate the formation of the DNA:MoS2 FL nanoassemblies due, primarily, to the covalent interaction of the oxygen atoms of the phosphate groups of DNA with the MoS2 FLs. Possible complexes of a nucleotide fragment (ribose-phosphate group) with MoS2 nanolayer are considered and calculated employing the DFT method. Different structures of these complexes are optimized, and the interaction energies between components are determined. Special attention in calculations is focused on the binding of this nucleotide fragment with Mo atoms located at the edge of the MoS2 nanolayer and with point structural defects of the MoS2 surface containing the S vacancy. Based on this calculation and experimental observation, a mechanism of binding of native DNA to MoS2 FLs has been proposed, in which their conjugation begins with point contacts of DNA phosphate groups with Mo atoms (at the edge or/and in defects) through the formation of a strong coordination bond. The results indicate the critical role of defects and edge atoms of MoS2 FLs in their biofunctionalization.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10300 - Physical sciences

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2025

Confidentiality

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

Name of the periodical

Low Temperature Physics>

ISSN

1063-777X

e-ISSN

—

Volume of the periodical

51

Issue of the periodical within the volume

10

Country of publishing house

US - UNITED STATES

Number of pages

10

Pages from-to

1283-1292

UT code for WoS article

001604532400002

EID of the result in the Scopus database

2-s2.0-105017789555