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

Ehala, Sille; Toman, Petr; Makrlík, Emanuel; Kašička, Václav

doi:10.1016/j.chroma.2009.09.034

Cited by 14 publications

(10 citation statements)

References 33 publications

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“…The use of the density functional theory (DFT) with ACE was reported by Ehala et al [116][117][118][119]. In one study [119] the complexation between metal cations (Rubidium and Cesium) and hexaarylbenzene-based receptor was investigated.…”

Section: Ace and Molecular Modelingmentioning

confidence: 97%

“…In a previous work, Ehala et al used DFT to investigate the structural binding property of benzo-18-crown-6ether complexes, which are sensors for organic ions and protecting groups in organic synthesis, with the ammonium cation. Binding constants calculations of the complex were obtained using ACE [117]. Complementary DFT calculations and ACE were also used to investigate the binding of the lithium ion to anhexaarylbenzenbased receptor [118] and valinomycin [119].…”

Section: Ace and Molecular Modelingmentioning

confidence: 99%

“…Molecular graphics and analyses were performed with the UCSF Chimera package. Chimera is developed by the Resource for Biocomputing, Visualization and Informatics at the University of California, San Francisco (supported by NIGMS P41-GM103311) [117].…”

Section: Conclusion and Future Perspectivementioning

confidence: 99%

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Recent Advances in Affinity Capillary Electrophoresis for Binding Studies

et al. 2014

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The present review covers recent advances and important applications of affinity capillary electrophoresis (ACE). It provides an overview about various ACE types, including ACE-MS, the multiple injection mode, the use of microchips and field-amplified sample injection-ACE. The most common scenarios of the studied affinity interactions are protein-drug, protein-metal ion, protein-protein, protein-DNA, protein-carbohydrate, carbohydrate-drug, peptide-peptide, DNA-drug and antigen-antibody. Approaches for the improvements of ACE in term of precision, rinsing protocols and sensitivity are discussed. The combined use of computer simulation programs to support data evaluation is presented. In conclusion, the performance of ACE is compared with other techniques such as equilibrium dialysis, parallel artificial membrane permeability assay, high-performance affinity chromatography as well as surface plasmon resonance, ultraviolet, circular dichroism, nuclear magnetic resonance, Fourier transform infrared, fluorescence, MS and isothermal titration calorimetry.

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Section: Ace and Molecular Modelingmentioning

confidence: 97%

Section: Ace and Molecular Modelingmentioning

confidence: 99%

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Recent Advances in Affinity Capillary Electrophoresis for Binding Studies

et al. 2014

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“…The CE‐ICP‐MS approach for measuring the ratio of free metal versus the complexed metal can be well complemented by CE‐ESI‐MS to reveal the free against the metal‐bound ligand 160. In other advanced studies, electrophoretic mobilities were corrected for ionic‐strength effects 156 or to a constant ionic strength and a reference temperature 151, 153–155 for more accurate determination of binding constants. In the case of polyanionic ligands with several potential binding sites for metal ions, the mobility variation due to counterion condensation should additionally be taken into account 156.…”

Section: Study Of Chemical Reactionsmentioning

confidence: 99%

CE of inorganic species – A review of methodological advancements over 2009–2010

Kubáň

Timerbaev

2011

Electrophoresis

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This article is the seventh in a series examining biannually the methodological developments in the field of CE analysis of inorganic species and covers relevant documents published between January 2009 and December 2010. Following an analysis of the significant accomplishments that have impacted the field in two recent years, a survey of advances in general CE methodology is presented. Subsequently, several notable trends that can be perceived in this well-established field are discussed: the continuing rise of ME and consequent development of suitable detection techniques, most notably contactless conductivity detection, the constant pace of advances in speciation analysis, and an increase in non-analytical CE applications to study complexation and (bio)transformation reactions of metal analytes. A range of recently emerged multi-detection designs, ICP-MS interface devices, and separation systems, for which outpacing work has been conducted, are also brought into focus.

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“…These methods sometimes suffer from interference caused by nontarget molecules and are more expensive. In comparison, capillary electrophoresis (CE) has the advantages of rapid analysis and less sample consumption and has been widely used in investigating the interaction between molecules [13][14][15], enzyme assays [16,17], and inhibitor screening [18,19]. Research into the interaction between biomolecules is important for understanding the structural basis and functions of proteins, disease diagnosis, drug screening, and other applications.…”

Section: Introductionmentioning

confidence: 99%

Monoamine Oxidase Inhibitor Screening by Proteoliposome Capillary Electrophoresis

Qing

et al. 2011

Chromatographia

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In this study, a new strategy for screening of enzyme inhibitors based on the interaction between enzyme and substrate was established. The bioactive proteoliposome reconstituted by monoamine oxidase (MAO) and liposome was added in the running buffers of capillary electrophoresis (CE) as pseudostationary phase to simulate the interaction between MAO and its substrate kynuramine (Kyn). The results showed that the relative migration time ratio (RMTR) of Kyn decreased obviously with increase of the proteoliposome, indicating strong interaction between proteoliposome and Kyn. After adding MAO inhibitors into the running buffers containing proteoliposome, the decline of the RMTR value of Kyn became slower. This occurred because MAO was inhibited to some degree by the inhibitors, weakening the interaction between MAO and Kyn. However, adding compounds which do not inhibit MAO activity into the running buffers did not affect the RMTR of Kyn obviously. The results obtained demonstrate that the method developed could characterize the inhibition of MAO inhibitors. Compared with traditional inhibitor screening methods, it does not need incubation outside the column to complete the enzyme catalytic reaction, so analysis is faster and less sample is consumed. With further development, the method might be chosen as a useful tool for screening of membrane protein inhibitors and identification of proteins associated with various diseases.

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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

Cited by 14 publications

References 33 publications

Recent Advances in Affinity Capillary Electrophoresis for Binding Studies

Recent Advances in Affinity Capillary Electrophoresis for Binding Studies

CE of inorganic species – A review of methodological advancements over 2009–2010

Monoamine Oxidase Inhibitor Screening by Proteoliposome Capillary Electrophoresis

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