A combined experimental and DFT study on the complexation of H3O+ with beauvericin

被引：7
|
作者：
Makrlik, Emanuel [1 ]
Toman, Petr [2 ]
Vanura, Petr [3 ]
机构：
[1] Czech Univ Life Sci, Fac Environm Sci, Prague, Czech Republic
[2] Acad Sci Czech Republ, Inst Macromol Chem, Prague, Czech Republic
[3] Inst Chem Technol, Dept Analyt Chem, CR-16628 Prague, Czech Republic
来源：
MONATSHEFTE FUR CHEMIE | 2012年 / 143卷 / 06期
关键词：
Antibiotics; Macrocycles; Stability constant; DFT calculations; Complex structure; ALKALI-METAL CATIONS; HYDRONIUM ION; WATER; NMR; VALINOMYCIN; DIBENZO-18-CROWN-6; THERMODYNAMICS; PROTONATION; ENNIATINS;
D O I：
10.1007/s00706-012-0747-z
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
From extraction experiments in the two-phase water/nitrobenzene system and gamma-activity measurements, the stability constant of the beauvericin center dot H3O+ complex species dissolved in nitrobenzene saturated with water was determined. By using quantum-mechanical density functional level of theory (DFT) calculations, the most probable structure of this complex was derived.
引用
收藏
页码：891 / 894
页数：4
相关论文
共 50 条
  • [1] A combined experimental and DFT study on the complexation of H3O+ with beauvericin
    Emanuel Makrlík
    Petr Toman
    Petr Vaňura
    [J]. Monatshefte für Chemie - Chemical Monthly, 2012, 143 : 891 - 894
  • [2] A combined extraction and DFT study on the complexation of H3O+ with a hexaarylbenzene-based receptor
    Petr Toman
    Emanuel Makrlík
    Petr Vaňura
    Václav Kašička
    Rajendra Rathore
    [J]. Monatshefte für Chemie - Chemical Monthly, 2010, 141 : 737 - 741
  • [3] A combined extraction and DFT study on the complexation of H3O+ with a hexaarylbenzene-based receptor
    Toman, Petr
    Makrlik, Emanuel
    Vanura, Petr
    Kasicka, Vaclav
    Rathore, Rajendra
    [J]. MONATSHEFTE FUR CHEMIE, 2010, 141 (07): : 737 - 741
  • [4] A combined experimental and DFT study on the complexation of Mg2+ with beauvericin
    E. Makrlík
    P. Toman
    P. Vaňura
    [J]. Structural Chemistry, 2012, 23 : 765 - 769
  • [5] A combined experimental and DFT study on the complexation of Mg2+ with beauvericin
    Makrlik, E.
    Toman, P.
    Vanura, P.
    [J]. STRUCTURAL CHEMISTRY, 2012, 23 (03) : 765 - 769
  • [6] A combined experimental and theoretical study on the complexation of H3O+ with hexaethyl calix[6]arene hexaacetate
    Dybal, J.
    Makrlik, E.
    Vanura, P.
    Lang, J.
    [J]. ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2007, 221 (04): : 519 - 525
  • [7] Complexation of the lithium cation with beauvericin: Experimental and DFT study
    Makrlik, Emanuel
    Toman, Petr
    Vanura, Petr
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 2012, 1024 : 142 - 145
  • [8] Experimental and DFT study on the complexation of Ba2+ with beauvericin
    Makrlik, E.
    Toman, P.
    Vanura, P.
    [J]. JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY, 2013, 295 (03) : 1887 - 1891
  • [9] Experimental and DFT study on the complexation of Ba2+ with beauvericin
    E. Makrlík
    P. Toman
    P. Vaňura
    [J]. Journal of Radioanalytical and Nuclear Chemistry, 2013, 295 : 1887 - 1891
  • [10] Extraction and DFT study on the complexation of H3O+ with hexaethyl p-tert-butylcalix[6]arene hexaacetate
    Lang, Jan
    Dybal, Jiri
    Makrlik, Emanuel
    Vanura, Petr
    Vasickova, Sona
    Malon, Petr
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 2007, 846 (1-3) : 157 - 160
12345