Journal article
Interaction of a tripeptide with cesium perfluorooctanoate micelles
The journal of physical chemistry. B, v 112(4), pp 1251-1261
31 Jan 2008
PMID: 18173254
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
The interaction of alanyl-phenylalanyl-alanine (Ala-Phe-Ala) with the micelles formed by cesium perfluorooctanoate (CsPFO) in water was studied in the isotropic phase by means of 1H NMR and by molecular dynamics (MD) simulations. Information on the location of the peptide was experimentally obtained from selective variations in Ala-Phe-Ala chemical shifts and from differential line broadening in the presence of the paramagnetic ion Mn2+. The peptide-micelle association constant was estimated analyzing the chemical shift variations of the most sensitive Ala-Phe-Ala resonances with the peptide concentration. MD simulations of Ala-Phe-Ala in the micellar environment confirmed the experimental observations, identifying the hydrogen bonding interactions of the different peptide moieties with the micelle, yielding a binding constant close to the experimental one. NOESY experiments suggest that the peptide in the micellar environment does not adopt a preferred conformation but is mainly unstructured. Details on the conformational behavior of the peptide in the micellar solution observed through MD were consistent with a different conformational equilibrium in the proximity of the micelle. Information on Ala-Phe-Ala dynamics was obtained from 1H T1 data and compared to MD simulation results on the overall tumbling motion.
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Details
- Title
- Interaction of a tripeptide with cesium perfluorooctanoate micelles
- Creators
- Silvia Pizzanelli - Istituto per i Processi Chimico-Fisici (IPCF-CNR), Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy. s.pizzanelli@ipcf.cnr.itClaudia ForteSusanna MontiReinhard Schweitzer-Stenner
- Publication Details
- The journal of physical chemistry. B, v 112(4), pp 1251-1261
- Publisher
- American Chemical Society; Washington, DC
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000252619000028
- Scopus ID
- 2-s2.0-39149142182
- Other Identifier
- 991014877775304721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Physical