Construction the switch binding pattern of cyclofructan 6

Wang, Lin; Li, Chang; Yin, Qiuhong; Zeng, Su; Sun, Cuirong; Pan, Yuanjiang; Armstrong, Daniel W.

doi:10.1016/j.tet.2015.03.075

Cited by 5 publications

(2 citation statements)

References 33 publications

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“…Showing an opposite pattern compared to CDs, CFs have internal HB interactions and do not present hydrophobic cavities. By using the simple p ‐aminobenzoic acid, Armstrong, Sun and co‐workers demonstrated a pH driven complexation between CF6 (containing 6 fructose units) and p ‐aminobenzoic acid by using a combined MD/NMR approach.…”

Section: Miscellaneous Selectorsmentioning

confidence: 99%

Recent studies of docking and molecular dynamics simulation for liquid‐phase enantioseparations

et al. 2019

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Liquid‐phase enantioseparations have been fruitfully applied in several fields of science. Various applications along with technical and theoretical advancements contributed to increase significantly the knowledge in this area. Nowadays, chromatographic techniques, in particular HPLC on chiral stationary phase, are considered as mature technologies. In the last thirty years, CE has been also recognized as one of the most versatile technique for analytical scale separation of enantiomers. Despite the huge number of papers published in these fields, understanding mechanistic details of the stereoselective interaction between selector and selectand is still an open issue, in particular for high‐molecular weight chiral selectors like polysaccharide derivatives. With the ever growing improvement of computer facilities, hardware and software, computational techniques have become a basic tool in enantioseparation science. In this field, molecular docking and dynamics simulations proved to be extremely adaptable to model and visualize at molecular level the spatial proximity of interacting molecules in order to predict retention, selectivity, enantiomer elution order, and profile noncovalent interaction patterns underlying the recognition process. On this basis, topics and trends in using docking and molecular dynamics as theoretical complement of experimental LC and CE chiral separations are described herein. The basic concepts of these computational strategies and seminal studies performed over time are presented, with a specific focus on literature published between 2015 and November 2018. A systematic compilation of all published literature has not been attempted.

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Section: Miscellaneous Selectorsmentioning

confidence: 99%

Recent studies of docking and molecular dynamics simulation for liquid‐phase enantioseparations

et al. 2019

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“…S‐CF is the only CF that demonstrated a relatively high applicability, mainly for the chiral separation of positively charged amino‐based compounds. NMR and MS studies demonstrated the interaction of CFs with organic molecules, such as p‐aminobenzoic acid . A complex, with stoichiometric composition 1:1, was formed as a result of intermolecular hydrogen bonding and ion dipole interactions.…”

Section: Chiral Selectorsmentioning

confidence: 99%

Chiral selectors in CE: Recent development and applications (mid‐2014 to mid‐2016)

Stavrou

Agathokleous

Kapnissi‐Christodoulou

2017

Electrophoresis

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This report, which is a sequence of a series of reviews, records the most important chiral selectors (CSs) applied in CE. It highlights the CSs that were used during the period 2014 to mid-2016. In this review, method developments, validations, and pharmaceutical along with biomedical applications are presented. The different CSs include CDs, antibiotics, cyclofructants, linear and branched oligo- and polysaccharides, and polymeric surfactants. In addition, the advantages of these CSs, along with their chiral recognition mechanisms, and their performance, are discussed.

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Recognition Mechanisms of Chiral Selectors: An Overview

Scriba¹

2019

Methods in Molecular Biology

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Construction the switch binding pattern of cyclofructan 6

Cited by 5 publications

References 33 publications

Recent studies of docking and molecular dynamics simulation for liquid‐phase enantioseparations

Recent studies of docking and molecular dynamics simulation for liquid‐phase enantioseparations

Chiral selectors in CE: Recent development and applications (mid‐2014 to mid‐2016)

Recognition Mechanisms of Chiral Selectors: An Overview

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