Počet záznamů: 1
Binding of Divalent Cations to Insulin: Capillary Electrophoresis and Molecular Simulations
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SYSNO ASEP 0492074 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Binding of Divalent Cations to Insulin: Capillary Electrophoresis and Molecular Simulations Tvůrce(i) Dubué-Dijon, E. (FR)
Delcroix, Pauline (UFCH-W)
Martinez-Seara, H. (FI)
Hladílková, J. (SE)
Coufal, P. (CZ)
Křížek, T. (CZ)
Jungwirth, P. (CZ)Zdroj.dok. Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106
Roč. 122, č. 21 (2018), s. 5640-5648Poč.str. 9 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova neutron scattering ; secretory granules ; aqueous solutions Vědní obor RIV CF - Fyzikální chemie a teoretická chemie Obor OECD Physical chemistry CEP GA16-01074S GA ČR - Grantová agentura ČR Způsob publikování Open access Institucionální podpora UFCH-W - RVO:61388955 UT WOS 000434236900038 EID SCOPUS 85047989464 DOI 10.1021/acs.jpcb.7b12097 Anotace In the present study, we characterize the binding of divalent cations to insulin in aqueous salt solutions by means of capillary electrophoresis and molecular dynamics simulations. The results show a strong pH dependence. At low pH, at which all the carboxylate groups are protonated and the protein has an overall positive charge, all the cations exhibit only weak and rather unspecific interactions with insulin. In contrast, at close to neutral pH, when all the carboxylate groups are deprotonated and negatively charged, the charge-neutralizing effect of magnesium, calcium, and zinc, in particular, on the electrophoretic mobility of insulin is significant. This is also reflected in the results of molecular dynamics simulations showing accumulation of cations at the protein surface, which becomes smaller in magnitude upon effective inclusion of electronic polarization via charge rescaling. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2019
Počet záznamů: 1