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Nuclear magnetic relaxation study of the microstructure of a bicontinuous cubic phase
Umeå University, Faculty of Science and Technology, Department of Chemistry.
Umeå University, Faculty of Science and Technology, Department of Chemistry.
2004 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, no 6, 4321-4329 p.Article in journal (Refereed) Published
Abstract [en]

A NMR relaxation and NMR translational diffusion study is performed on a bicontinuous cubic phase of the dodecyltrimethylammonium chloride/2H2O system with low water content. It is demonstrated how NMR relaxation measurements are combined with structural investigations of X-ray and NMR molecular diffusion measurements to create a consistent picture of the mesoscopic structure of the cubic phase. The 14N, spin-lattice (R1) and spin-spin relaxation rates (R2), were measured for the surfactant at two different field strengths and at four temperatures. The water and the surfactant translational diffusion coefficients were measured by NMR field gradient technique. The experimental spin relaxation rates, and translation diffusion coefficients were interpreted in a model based on a Brownian dynamics (BD) simulation of translational diffusion along curved interfaces (P. Håkansson, L. Persson and P.-O. Westlund, J. Chem. Phys., 2002,117(19), 8634-8643, ). The model surfaces used in our BD relaxation model are also frequently used in interpretations of X-ray crystallography and in free energy calculations on bicontinuous phases. One of our BD-models was able to quantify the influence of the water/lipid interface on the NMR relaxation and diffusion data. Together with X-ray data, a consistent picture of the microstructure for this system was obtained.

Place, publisher, year, edition, pages
Cambridge: Royal Society of Chemistry , 2004. no 6, 4321-4329 p.
Identifiers
URN: urn:nbn:se:umu:diva-3897DOI: 10.1039/b408003cOAI: oai:DiVA.org:umu-3897DiVA: diva2:142795
Available from: 2004-04-22 Created: 2004-04-22 Last updated: 2011-03-15Bibliographically approved
In thesis
1. Simulation of Relaxation Processes in Fluorescence, EPR and NMR Spectroscopy
Open this publication in new window or tab >>Simulation of Relaxation Processes in Fluorescence, EPR and NMR Spectroscopy
2004 (English)Doctoral thesis, comprehensive summary (Other academic)
Alternative title[sv]
Simulering av Relaxationsprocesser inom Fluoresens, EPR och NMR Spektroskopi
Abstract [en]

Relaxation models are developed using numerical solutions of the Stochastic Liouville Equation of motion. Simplified descriptions such as the stochastic master equation is described in the context of fluorescence depolarisation experiments. Redfield theory is used in order to describe NMR relaxation in bicontinuous phases. The stochastic fluctuations in the relaxation models are accounted for using Brownian Dynamics simulation technique. A novel approach to quantitatively analyse fluorescence depolarisation experiments and to determine intramolecular distances is presented. A new Brownian Dynamics simulation technique is developed in order to characterize translational diffusion along the water lipid interface of bicontinuous cubic phases.

Place, publisher, year, edition, pages
Umeå: Kemi, 2004. 34 p.
Keyword
Physical chemistry, EPR, NMR, Energy migration, bicontinuous cubic phase, Stochastic Liouville Equation, Brownian Dynamics, Fysikalisk kemi
National Category
Physical Chemistry
Research subject
Physical Chemistry
Identifiers
urn:nbn:se:umu:diva-244 (URN)91-7305-666-9 (ISBN)
Public defence
2004-05-14, KB3A9, KBC, Biofysikalisk kemi, Umeå Universitet, Umeå, 10:00 (English)
Opponent
Supervisors
Available from: 2004-04-22 Created: 2004-04-22 Last updated: 2009-10-26Bibliographically approved

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