Journal of Thermal Analysis and Calorimetry
Volume/Issue:
Volume 85: Issue 3
Studies on molecular interactions of β-cyclodextrin and antiulcer agent
Authors:
M. Fujisawa Kinki University Department of Biotechnological Science Wakayama Japan 649-6493 930 Nishimitani, Kinokawa-city Wakayama Japan 649-6493 930 Nishimitani, Kinokawa-city

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and
T. Kimura Kinki University Department of Chemistry Higashi-osaka Japan 577-8502 Kowakae Higashi-osaka Japan 577-8502 Kowakae

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Pages:
589–591
Online Publication Date:
15 Sep 2006
Publication Date:
01 Sep 2006
Article Category:
Research Article
DOI:
https://doi.org/10.1007/s10973-006-7656-5
Keywords:
ab initio molecular orbital method; host-guest chemistry; molecular interaction; molecular mechanics
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Abstract  

The search for the lowest energy conformation of complex {β-cyclodextrin (β-CD)+chlorambucil} were carried out by molecular mechanics method. Theoretical calculations of molecular interactions of complex were carried out using the molecular orbital method. The correlation between energy changes and molecular structures are discussed. The large interaction energies calculated by the molecular orbital method bears out the inclusion phenomenon.

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Cover Journal of Thermal Analysis and Calorimetry
Journal of Thermal Analysis and Calorimetry
Print ISSN:
1388-6150
Online ISSN:
1572-8943

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Journal of Thermal Analysis and Calorimetry
Language English
Size A4
Year of
Foundation		 1969
Volumes
per Year		 1
Issues
per Year		 24
Founder Akadémiai Kiadó
Founder's
Address		 H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
Publisher Akadémiai Kiadó
Springer Nature Switzerland AG
Publisher's
Address		 H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
CH-6330 Cham, Switzerland Gewerbestrasse 11.
Responsible
Publisher		 Chief Executive Officer, Akadémiai Kiadó
ISSN 1388-6150 (Print)
ISSN 1588-2926 (Online)

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