uu.seUppsala universitets publikasjoner
Endre søk
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Insight into the Structural Deformations of Beta-Cyclodextrin Caused by Alcohol Cosolvents and Guest Molecules
Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Biologiska sektionen, Institutionen för cell- och molekylärbiologi.
Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Biologiska sektionen, Institutionen för cell- och molekylärbiologi, Beräknings- och systembiologi.
Vise andre og tillknytning
2012 (engelsk)Inngår i: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 116, nr 12, s. 3880-3889Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Beta-cyclodextrin (beta-CD) is an ideal candidate for a host molecule, and it is used as such in drug delivery and separation technology. The structural behavior of free beta-CD and host guest complexes of beta-CD with two isoflavonoid isomers (puerarin and daidzin) in aqueous alcohol solutions, covering methanol, ethanol, 2-propanol, and 1-propanol, was investigated through molecular dynamics (MD) simulations. The MD results highlighted aspects of the structural flexibility and rigidity of beta-CD in different alcohol solutions. The alcohol residence time within the beta-CD cavity, solvent distribution around beta-CD, and guest-induced structural changes were analyzed. Interaction with puerarin endowed beta-CD with a more rigid structure than with daidzin and a weaker ternary complex beta-CD/puerarin/alcohol was formed with a local participation of water molecules. The retention behavior of puerarin and daidzin on a beta-CD-coupled medium was determined via chromatographic experiments and simulation results provided a structural explanation for such interactions.

sted, utgiver, år, opplag, sider
2012. Vol. 116, nr 12, s. 3880-3889
HSV kategori
Identifikatorer
URN: urn:nbn:se:uu:diva-173658DOI: 10.1021/jp300674dISI: 000302051200024OAI: oai:DiVA.org:uu-173658DiVA, id: diva2:524471
Tilgjengelig fra: 2012-05-02 Laget: 2012-05-02 Sist oppdatert: 2018-01-12bibliografisk kontrollert

Open Access i DiVA

Fulltekst mangler i DiVA

Andre lenker

Forlagets fulltekst

Personposter BETA

van der Spoel, David

Søk i DiVA

Av forfatter/redaktør
van der Spoel, David
Av organisasjonen
I samme tidsskrift
Journal of Physical Chemistry B

Søk utenfor DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric

doi
urn-nbn
Totalt: 404 treff
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf