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Molecular Modeling of Inclusion complexes


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  • Product Description

Herein the study of inclusion complex of methyl red and cyclodextrins (α, β and γ-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 β-CD is the best host among the studied CD compounds in the following order: MR-β-CD » MR-γ-CD » MR-α-CD. Keywords: inclusion complex, α, β and γ-cyclodextrins, methyl red.

Product Specifications
SKU :COC87922
AuthorBoubaker Hosouna and Rohana Adnan
Number of Pages84
Publishing Year2013-04-25T00:00:00.000
Edition1 st
Book TypePhysical chemistry
Country of ManufactureIndia
Product BrandLAP LAMBERT Academic Publishing
Product Packaging InfoBox
In The Box1 Piece
Product First Available On ClickOnCare.com2015-10-08 00:00:00
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