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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10300 - Physical sciences

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

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

Název periodika

Low Temperature Physics>

ISSN

1063-777X

e-ISSN

—

Svazek periodika

51

Číslo periodika v rámci svazku

10

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

1283-1292

Kód UT WoS článku

001604532400002

EID výsledku v databázi Scopus

2-s2.0-105017789555