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The effect of chemical modification of DNA base on binding of Hg-II and Ag-I in metal-mediated base pairs
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SYSNO ASEP 0466107 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název The effect of chemical modification of DNA base on binding of Hg-II and Ag-I in metal-mediated base pairs Tvůrce(i) Šebera, Jakub (UOCHB-X) RID, ORCID
Tanaka, Y. (JP)
Ono, A. (JP)
Sychrovský, Vladimír (UOCHB-X) RID, ORCIDZdroj.dok. Inorganica chimica acta. - : Elsevier - ISSN 0020-1693
Roč. 452, Oct 1 (2016), s. 199-204Poč.str. 6 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova DFT ; metal-mediated base pairs ; Hg ; Ag Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP GA13-27676S GA ČR - Grantová agentura ČR Institucionální podpora UOCHB-X - RVO:61388963 UT WOS 000385606600026 EID SCOPUS 84962003926 DOI https://doi.org/10.1016/j.ica.2016.03.007 Anotace 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. Pracoviště Ústav organické chemie a biochemie Kontakt asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Rok sběru 2017
Počet záznamů: 1