Inclusion complexation of barbiturates with .BETA.-cyclodextrin in aqueous solution. I. Spectroscopic study on the mode of interaction.

The mutual replacement of SO32- and SO42- anions was studied in Na2SO3.7 H2O crystals where sulphite is slowly oxidized to sulphate by air oxygen. In a series of Na2(SO3, SO4).7 H2O samples, the C1 or Cs site symmetry appears for the SO32- anion and the site symmetry of the SO42- anion is lowered gradually from Td through D2d or C3v to C1. The replacement was also studied for anhydrous sodium sulphite obtained by dehydration or by evaporation from aqueous solution. Despite the different structures of Na2SO3 and Na2SO4 crystals (C3i1 and D2h24, respectively), the favourable dimensions of the sterically different anions allow the SO42- ions, with their own symmetry Td, to be located in the C3 sites of the SO32- ions in Na2SO3.

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Time-Resolved Spectroscopic Study of the Photochemistry of Tiaprofenic Acid in a Neutral Phosphate Buffered Aqueous Solution from Femtoseconds to Final Products

The Journal of Physical Chemistry B ◽

10.1021/jp310315f ◽

2013 ◽

Vol 117 (3) ◽

pp. 811-824 ◽

Cited By ~ 5

Author(s):

Tao Su ◽

Jiani Ma ◽

Ming-De Li ◽

Xiangguo Guan ◽

Lihong Yu ◽

...

Keyword(s):

Aqueous Solution ◽

Spectroscopic Study ◽

Tiaprofenic Acid ◽

Time Resolved

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Thermodynamic and spectroscopic study of Al 3+ interaction with glycine, l -cysteine and tranexamic acid in aqueous solution

Biophysical Chemistry ◽

10.1016/j.bpc.2017.08.001 ◽

2017 ◽

Vol 230 ◽

pp. 10-19 ◽

Cited By ~ 6

Author(s):

Paola Cardiano ◽

Fausta Giacobello ◽

Ottavia Giuffrè ◽

Silvio Sammartano

Keyword(s):

Aqueous Solution ◽

Tranexamic Acid ◽

Spectroscopic Study

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1H NMR spectroscopic study of complexation of citalopram with β-cyclodextrin in aqueous solution

Magnetic Resonance in Chemistry ◽

10.1002/mrc.1958 ◽

2007 ◽

Vol 45 (3) ◽

pp. 253-256 ◽

Cited By ~ 6

Author(s):

Syed Mashhood Ali ◽

Arti Maheshwari ◽

Bharat Inder Fozdar

Keyword(s):

Aqueous Solution ◽

Spectroscopic Study ◽

1H Nmr

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Molecular Dynamic Simulation Analysis on the Inclusion Complexation of Plumbagin with β-Cyclodextrin Derivatives in Aqueous Solution

Molecules ◽

10.3390/molecules26226784 ◽

2021 ◽

Vol 26 (22) ◽

pp. 6784

Author(s):

Kulpavee Jitapunkul ◽

Pisanu Toochinda ◽

Luckhana Lawtrakul

Keyword(s):

Aqueous Solution ◽

Slow Release ◽

Storage Temperature ◽

Simulation Analysis ◽

Inclusion Complexation ◽

Storage Life ◽

Release Mechanism ◽

Guest Binding ◽

Binding Cavity ◽

Dynamics Simulations

Stable encapsulation of medically active compounds can lead to longer storage life and facilitate the slow-release mechanism. In this work, the dynamic and molecular interactions between plumbagin molecule with β-cyclodextrin (BCD) and its two derivatives, which are dimethyl-β-cyclodextrin (MBCD), and 2-O-monohydroxypropyl-β-cyclodextrin (HPBCD) were investigated. Molecular dynamics simulations (MD) with GLYCAM-06 and AMBER force fields were used to simulate the inclusion complex systems under storage temperature (4 °C) in an aqueous solution. The simulation results suggested that HPBCD is the best encapsulation agent to produce stable host–guest binding with plumbagin. Moreover, the observation of the plumbagin dynamic inside the binding cavity revealed that it tends to orient the methyl group toward the wider rim of HPBCD. Therefore, HPBCD is a decent candidate for the preservation of plumbagin with a promising longer storage life and presents the opportunity to facilitate the slow-release mechanism.

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