Affinity capillary electrophoresis and density functional theory applied to binding constant determination and structure elucidation of hexaarylbenzene-based receptor complex with ammonium cation

Sille Ehala; Petr Toman; Emanuel Makrlík; Rajendra Rathore; Václav Kašička

doi:10.1016/j.chroma.2011.01.073

Affinity capillary electrophoresis and density functional theory applied to binding constant determination and structure elucidation of hexaarylbenzene-based receptor complex with ammonium cation

Journal of Chromatography A ◽

10.1016/j.chroma.2011.01.073 ◽

2011 ◽

Vol 1218 (30) ◽

pp. 4982-4987 ◽

Cited By ~ 9

Author(s):

Sille Ehala ◽

Petr Toman ◽

Emanuel Makrlík ◽

Rajendra Rathore ◽

Václav Kašička

Keyword(s):

Density Functional Theory ◽

Capillary Electrophoresis ◽

Binding Constant ◽

Structure Elucidation ◽

Density Functional ◽

Ammonium Cation ◽

Receptor Complex ◽

Affinity Capillary Electrophoresis ◽

Functional Theory ◽

Constant Determination

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Application of affinity capillary electrophoresis and density functional theory to the investigation of benzo-18-crown-6-ether complex with ammonium cation

Journal of Chromatography A ◽

10.1016/j.chroma.2009.09.034 ◽

2009 ◽

Vol 1216 (45) ◽

pp. 7927-7931 ◽

Cited By ~ 14

Author(s):

Sille Ehala ◽

Petr Toman ◽

Emanuel Makrlík ◽

Václav Kašička

Keyword(s):

Density Functional Theory ◽

Capillary Electrophoresis ◽

Density Functional ◽

Ammonium Cation ◽

Affinity Capillary Electrophoresis ◽

Functional Theory ◽

Ether Complex

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Affinity capillary electrophoresis and density functional theory study of noncovalent interactions of cyclic peptide [Gly6 ]-antamanide with small cations

Electrophoresis ◽

10.1002/elps.201700141 ◽

2017 ◽

Vol 38 (16) ◽

pp. 2025-2033 ◽

Cited By ~ 3

Author(s):

Sachin Pangavhane ◽

Stanislav Böhm ◽

Emanuel Makrlík ◽

Paolo Ruzza ◽

Václav Kašička

Keyword(s):

Density Functional Theory ◽

Capillary Electrophoresis ◽

Density Functional ◽

Cyclic Peptide ◽

Noncovalent Interactions ◽

Density Functional Theory Study ◽

Affinity Capillary Electrophoresis ◽

Functional Theory

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Affinity capillary electrophoresis and density functional theory employed for the characterization of hexaarylbenzene-based receptor complexation with alkali metal ions

Electrophoresis ◽

10.1002/elps.201000568 ◽

2011 ◽

Vol 32 (9) ◽

pp. 981-987 ◽

Cited By ~ 14

Author(s):

Sille Ehala ◽

Petr Toman ◽

Rajendra Rathore ◽

Emanuel Makrlík ◽

Václav Kašička

Keyword(s):

Density Functional Theory ◽

Capillary Electrophoresis ◽

Alkali Metal ◽

Metal Ions ◽

Density Functional ◽

Alkali Metal Ions ◽

Affinity Capillary Electrophoresis ◽

Functional Theory

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Some new Ag(I), VO(II) and Pd(II) chelates incorporating tridentate imine ligand: Design, synthesis, structure elucidation, density functional theory calculations for DNA interaction, antimicrobial and anticancer activities and molecular docking studies

Applied Organometallic Chemistry ◽

10.1002/aoc.4699 ◽

2019 ◽

Vol 33 (4) ◽

pp. e4699 ◽

Cited By ~ 29

Author(s):

Laila H. Abdel-Rahman ◽

Ahmed M. Abu-Dief ◽

Mohamed R. Shehata ◽

Faten M. Atlam ◽

Azza A. Hassan Abdel-Mawgoud

Keyword(s):

Density Functional Theory ◽

Structure Elucidation ◽

Density Functional ◽

Ligand Design ◽

Density Functional Theory Calculations ◽

Dna Interaction ◽

Docking Studies ◽

Anticancer Activities ◽

Functional Theory ◽

Design Synthesis

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Cyclodextrin-induced acidity modification of substituted cathinones studied by capillary electrophoresis supported by density functional theory calculations

Journal of Chromatography A ◽

10.1016/j.chroma.2018.10.036 ◽

2018 ◽

Vol 1580 ◽

pp. 142-151 ◽

Cited By ~ 5

Author(s):

Paweł Mateusz Nowak ◽

Katarzyna Olesek ◽

Michał Woźniakiewicz ◽

Mariusz Mitoraj ◽

Filip Sagan ◽

...

Keyword(s):

Density Functional Theory ◽

Capillary Electrophoresis ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory

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Carbonic anhydrase inhibition of Schiff base derivative of imino-methyl-naphthalen-2-ol: Synthesis, structure elucidation, molecular docking, dynamic simulation and density functional theory calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.11.086 ◽

2018 ◽

Vol 1156 ◽

pp. 193-200 ◽

Cited By ~ 7

Author(s):

Saghir Abbas ◽

Hafiza Huma Nasir ◽

Sumera Zaib ◽

Saqib Ali ◽

Tariq Mahmood ◽

...

Keyword(s):

Density Functional Theory ◽

Schiff Base ◽

Molecular Docking ◽

Carbonic Anhydrase ◽

Structure Elucidation ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Carbonic Anhydrase Inhibition ◽

Base Derivative

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Investigation of the acid-base and electromigration properties of 5‐azacytosine derivatives using capillary electrophoresis and density functional theory calculations

Journal of Chromatography A ◽

10.1016/j.chroma.2016.11.058 ◽

2017 ◽

Vol 1479 ◽

pp. 185-193 ◽

Cited By ~ 7

Author(s):

Denisa Geffertová ◽

Syed Tahir Ali ◽

Veronika Šolínová ◽

Marcela Krečmerová ◽

Antonín Holý ◽

...

Keyword(s):

Density Functional Theory ◽

Capillary Electrophoresis ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Acid Base ◽

Functional Theory

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Possible interaction mechanism for quaternary ammonium (QA) ions binding to potassium channels: density functional theory and MP2 studies on the interaction between phenol and ammonium cation †

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/a806009f ◽

1999 ◽

pp. 107-112 ◽

Cited By ~ 17

Author(s):

Xiao Jian Tan ◽

Hua Liang Jiang ◽

Wei Liang Zhu ◽

Kai Xian Chen ◽

Ru Yun Ji

Keyword(s):

Density Functional Theory ◽

Potassium Channels ◽

Quaternary Ammonium ◽

Density Functional ◽

Interaction Mechanism ◽

Ammonium Cation ◽

Functional Theory

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Molecular structure elucidation, charge transfer interactions, electronic properties, vibrational spectral investigation and molecular docking of the antiviral active molecule (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]-phenyl benzoate dimer - aided by density functional theory

Spectroscopy Letters ◽

10.1080/00387010.2020.1817092 ◽

2020 ◽

Vol 53 (8) ◽

pp. 611-624

Author(s):

S. J. Jenepha Mary ◽

C. James

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Molecular Docking ◽

Charge Transfer ◽

Electronic Properties ◽

Structure Elucidation ◽

Density Functional ◽

Phenyl Benzoate ◽

Active Molecule ◽

Functional Theory

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Comparison of Model Chemistry and Density Functional Theory Thermochemical Predictions with Experiment for Formation of Ionic Clusters of the Ammonium Cation Complexed with Water and Ammonia; Atmospheric Implications

The Journal of Physical Chemistry A ◽

10.1021/jp0514372 ◽

2005 ◽

Vol 109 (22) ◽

pp. 4905-4910 ◽

Cited By ~ 38

Author(s):

Pickard ◽

Meghan E. Dunn ◽

George C. Shields

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Ammonium Cation ◽

Ionic Clusters ◽

Functional Theory

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