Affinity capillary electrophoresis and quantum mechanical calculations applied to investigation of [Gly(6)]-antamanide binding with sodium and potassium ions

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F17%3A00477160" target="_blank" >RIV/61388963:_____/17:00477160 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60460709:41330/17:74584

Výsledek na webu

<a href="http://dx.doi.org/10.1002/elps.201600474" target="_blank" >http://dx.doi.org/10.1002/elps.201600474</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/elps.201600474" target="_blank" >10.1002/elps.201600474</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Affinity capillary electrophoresis and quantum mechanical calculations applied to investigation of [Gly(6)]-antamanide binding with sodium and potassium ions

Popis výsledku v původním jazyce

ACE in a free solution and quantum mechanical density functional theory have been applied to the investigation of interactions of glycine-6-antamanide ([Gly(6)]AA), a synthetic derivative of cyclic decapeptide antamanide isolated from the highly poisonous mushroom Amanita phalloides, with sodium or potassium ions in methanol. First, from the dependence of effective electrophoretic mobility of [Gly(6)]AA on Na+ or K+ ions concentration in the BGE (methanolic solution of 20 mM chloroacetic acid, 10 mM Tris, pH(MeOH) 7.8, containing 0-50 mM NaCl or 0-40 mM KCl), the apparent binding (stability) constants of [Gly(6)]AA-Na+ and [Gly(6)]AA-K+ complexes were evaluated as 26 +/- 1 and 14 +/- 1L/mol, respectively. The employed ACE method included correction of the effective mobilities measured at ambient temperature and at variable ionic strength of the BGEs to the mobilities related to the reference temperature 25 degrees C and to the constant ionic strength 10 mM. Second, the interaction energies of the [Gly(6)]AA-Na+ and [Gly(6)]AA-K+ complexes (-466.3 and -345.2 kJ/mol, respectively) and the structural details of these complexes, such as position of the Na+ and K+ ions in the cavity of the [Gly(6)]AA molecule and the interatomic distances within these complexes, were determined by the density functional theory calculations.

Název v anglickém jazyce

Affinity capillary electrophoresis and quantum mechanical calculations applied to investigation of [Gly(6)]-antamanide binding with sodium and potassium ions

Popis výsledku anglicky

ACE in a free solution and quantum mechanical density functional theory have been applied to the investigation of interactions of glycine-6-antamanide ([Gly(6)]AA), a synthetic derivative of cyclic decapeptide antamanide isolated from the highly poisonous mushroom Amanita phalloides, with sodium or potassium ions in methanol. First, from the dependence of effective electrophoretic mobility of [Gly(6)]AA on Na+ or K+ ions concentration in the BGE (methanolic solution of 20 mM chloroacetic acid, 10 mM Tris, pH(MeOH) 7.8, containing 0-50 mM NaCl or 0-40 mM KCl), the apparent binding (stability) constants of [Gly(6)]AA-Na+ and [Gly(6)]AA-K+ complexes were evaluated as 26 +/- 1 and 14 +/- 1L/mol, respectively. The employed ACE method included correction of the effective mobilities measured at ambient temperature and at variable ionic strength of the BGEs to the mobilities related to the reference temperature 25 degrees C and to the constant ionic strength 10 mM. Second, the interaction energies of the [Gly(6)]AA-Na+ and [Gly(6)]AA-K+ complexes (-466.3 and -345.2 kJ/mol, respectively) and the structural details of these complexes, such as position of the Na+ and K+ ions in the cavity of the [Gly(6)]AA molecule and the interatomic distances within these complexes, were determined by the density functional theory calculations.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10406 - Analytical chemistry

Projekt

<a href="/cs/project/GA15-01948S" target="_blank" >GA15-01948S: Kapilární elektromigrační techniky využívající afinitní selektory a smart-polymery pro analýzu a studium vlastností a interakcí biomolekul.</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Electrophoresis

ISSN

0173-0835

e-ISSN

—

Svazek periodika

38

Číslo periodika v rámci svazku

12

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

9

Strana od-do

1551-1559

Kód UT WoS článku

000403912000003

EID výsledku v databázi Scopus

2-s2.0-85013188067