Journal of Thermal Analysis and Calorimetry
Volume/Issue:
Volume 90: Issue 2
Calorimetric study on inclusion of some alcohols into α-cyclodextrin cavities
Molecular mechanical calculation of hydration Gibbs energies
Authors:
T. Kimura Kinki University Department of Chemistry Kowakae, Higashi-osaka 577-8502 Japan

Search for other papers by T. Kimura in
Current site
Google Scholar
PubMed Close
,
M. Fujisawa Kinki University Department of Biotechnological Science Nishimitani, Kinokawa-city, Wakayama 649-6493 Japan

Search for other papers by M. Fujisawa in
Current site
Google Scholar
PubMed Close
,
Y. Nakano Kinki University Department of Chemistry Kowakae, Higashi-osaka 577-8502 Japan

Search for other papers by Y. Nakano in
Current site
Google Scholar
PubMed Close
,
T. Kamiyama Kinki University Department of Chemistry Kowakae, Higashi-osaka 577-8502 Japan

Search for other papers by T. Kamiyama in
Current site
Google Scholar
PubMed Close
,
T. Otsu Kinki University Faculty of Biology-oriented Science and Technology Nishimitani, Kinokawa-city, Wakayama 649-6493 Japan

Search for other papers by T. Otsu in
Current site
Google Scholar
PubMed Close
,
M. Maeda Kinki University Department of Chemistry Kowakae, Higashi-osaka 577-8502 Japan

Search for other papers by M. Maeda in
Current site
Google Scholar
PubMed Close
, and
S. Takagi Kinki University Department of Chemistry Kowakae, Higashi-osaka 577-8502 Japan

Search for other papers by S. Takagi in
Current site
Google Scholar
PubMed Close
Pages:
581–585
Online Publication Date:
11 Jul 2007
Publication Date:
01 Nov 2007
Article Category:
Research Article
DOI:
https://doi.org/10.1007/s10973-007-7914-1
Keywords:
cyclodextrins; enthalpy of inclusion; hydration Gibbs energy; molecular mechanics; molecular recognition
Restricted access

Abstract  

The enthalpies of transfer 2-propanol, 1,2-butanediol (BD) and 1-hexanol from aqueous to aqueous α-cyclodextrin (CD) solutions have been determined by microcalorimetry at various mole fractions at 298.15 K. To clarify stabilities of inclusion complexes in aqueous solutions, hydration Gibbs energies calculation of inclusion complex of CD-alcohol were performed by using the molecular mechanics with the MMFF94s force field in the generalized born/surface area (GB/SA) model. The largest stabilization in Gibbs energy is obtained by the hydration (ΔhydH) of α-CD-1,2-butanediol complex among α-CD-butanediol isomers complexes.

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

To see the editorial board, please visit the website of Springer Nature.

Manuscript Submission: HERE

For subscription options, please visit the website of Springer Nature.

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)

Monthly Content Usage

Abstract Views Full Text Views PDF Downloads
Apr 2024 16 0 0
May 2024 0 0 0
Jun 2024 4 0 0
Jul 2024 19 0 0
Aug 2024 2 0 0
Sep 2024 12 0 0
Oct 2024 0 0 0