The effect of chemical modification of DNA base on binding of Hg-II and Ag-I in metal-mediated base pairs

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F16%3A00466107" target="_blank" >RIV/61388963:_____/16:00466107 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/16:00502365

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.ica.2016.03.007" target="_blank" >http://dx.doi.org/10.1016/j.ica.2016.03.007</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.ica.2016.03.007" target="_blank" >10.1016/j.ica.2016.03.007</a>

Jazyk výsledku

angličtina

Název v původním jazyce

The effect of chemical modification of DNA base on binding of Hg-II and Ag-I in metal-mediated base pairs

Popis výsledku v původním jazyce

The Gibbs free energy of formation of metallo-base pair was calculated for the base pairs composed of T, U, F, CN, C and I nucleosides and Hg-II and Ag-I metals. The effect of particular metal and the effect of pH on relative stabilization of metallo-base pairs were studied with calculated Gibbs free energies. The stability of Hg-mediated base pairs gradually decreased owing to the F and CN chemical modification of thymine at carbon C5 and owing to the imino to imidazole change of N3 nitrogen atom linked with Hg-II. The prevalence of Ag-I-stabilization versus Hg-II-stabilization was calculated for the metallo-base pairs composed of T, U, F, CN, C and I nucleosides where nucleophilicity of N3 nitrogen atom gradually decreased. The calculated relative stabilizations of metallo-base pairs agreed qualitatively with the increase in melting temperatures measured previously for respective duplexes upon adding Hg-II and Ag-I metals (Okamoto et al., 2009). The absolute magnitude of (1)J(Hg,N) and (2)J(N,N) coupling constants across metal-mediated linkage increased owing to F and CN modification of T and further increase of magnitudes off-couplings was calculated for imino to imidazole change of metal-bound nitrogen.

Název v anglickém jazyce

The effect of chemical modification of DNA base on binding of Hg-II and Ag-I in metal-mediated base pairs

Popis výsledku anglicky

The Gibbs free energy of formation of metallo-base pair was calculated for the base pairs composed of T, U, F, CN, C and I nucleosides and Hg-II and Ag-I metals. The effect of particular metal and the effect of pH on relative stabilization of metallo-base pairs were studied with calculated Gibbs free energies. The stability of Hg-mediated base pairs gradually decreased owing to the F and CN chemical modification of thymine at carbon C5 and owing to the imino to imidazole change of N3 nitrogen atom linked with Hg-II. The prevalence of Ag-I-stabilization versus Hg-II-stabilization was calculated for the metallo-base pairs composed of T, U, F, CN, C and I nucleosides where nucleophilicity of N3 nitrogen atom gradually decreased. The calculated relative stabilizations of metallo-base pairs agreed qualitatively with the increase in melting temperatures measured previously for respective duplexes upon adding Hg-II and Ag-I metals (Okamoto et al., 2009). The absolute magnitude of (1)J(Hg,N) and (2)J(N,N) coupling constants across metal-mediated linkage increased owing to F and CN modification of T and further increase of magnitudes off-couplings was calculated for imino to imidazole change of metal-bound nitrogen.

Druh

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

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

—

Projekt

<a href="/cs/project/GA13-27676S" target="_blank" >GA13-27676S: Pyramidalizace glykosidického dusíku v nukleových kyselinách; efekt pyramidalizace na chemii štěpení glykosidické vazby</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název periodika

Inorganica chimica acta

ISSN

0020-1693

e-ISSN

—

Svazek periodika

452

Číslo periodika v rámci svazku

Oct 1

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

6

Strana od-do

199-204

Kód UT WoS článku

000385606600026

EID výsledku v databázi Scopus

2-s2.0-84962003926