Molecular Modeling of Inclusion Complexes - Rohana Adnan - Books - LAP LAMBERT Academic Publishing - 9783659385223 - April 25, 2013
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Rohana Adnan
Molecular Modeling of Inclusion Complexes

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Herein the study of inclusion complex of methyl red and cyclodextrins (?, ? and ?-CDs), were investigated using molecular modeling calculation and UV-Vis spectroscopy. The molecular modeling study adopted was docking using Autodock 4.2 software and quantum mechanics calculation using Gaussian 03 software. The UV-Vis spectroscopy results were found to be comparable with the quantum mechanics calculations performed using the semiempirical method PM3. The experimental data (UV, pH, Kb) show that ?-CD is the best host among the studied CD compounds in the following order: MR-?-CD » MR-?-CD » MR-?-CD. Keywords: inclusion complex, ?, ? and ?-cyclodextrins, methyl red.

Media Books     Paperback Book   (Book with soft cover and glued back)
Released April 25, 2013
ISBN13 9783659385223
Publishers LAP LAMBERT Academic Publishing
Pages 84
Dimensions 150 × 5 × 225 mm   ·   143 g
Language German  

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