NMR measure of translational diffusion and fractal dimension. application to molecular mass measurement

Sophie Augé; Pierre Olivier Schmit; Christopher A. Crutchfield; Mohammad T. Islam; Douglas J. Harris; Emmanuelle Durand; Martin Clemancey; Anne Agathe Quoineaud; Jean Marc Lancelin; Yann Prigent; Francis Taulelle; Marc André Delsuc

doi:10.1021/jp8094424

NMR measure of translational diffusion and fractal dimension. application to molecular mass measurement

Sophie Augé, Pierre Olivier Schmit, Christopher A. Crutchfield, Mohammad T. Islam, Douglas J. Harris, Emmanuelle Durand, Martin Clemancey, Anne Agathe Quoineaud, Jean Marc Lancelin, Yann Prigent, Francis Taulelle, Marc André Delsuc

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Abstract

Experimental NMR diffusion measure on polymers and on globular proteins are presented. These results, complemented with results found in the literature, enable a general description of effective fractal dimension for objects such as small organic molecules, sugars, polymers, DNA, and proteins. Results are compared to computational simulations as well as to theoretical values. A global picture of the diffusion phenomenon emerges from this description. A power law relating molecular mass with diffusion coefficients is described and found to be valid over 4 orders of magnitude. From this law, the fractal dimension of the molecular family can be measured, with experimental values ranging from 1.41 to 2.56 in full agreement with theoretical approaches. Finally, a method for evaluating the molecular mass of unknown solutes is described and implemented as a Web page.

Original language	English (US)
Pages (from-to)	1914-1918
Number of pages	5
Journal	Journal of Physical Chemistry B
Volume	113
Issue number	7
DOIs	https://doi.org/10.1021/jp8094424
State	Published - Feb 19 2009

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry

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Augé, S., Schmit, P. O., Crutchfield, C. A., Islam, M. T., Harris, D. J., Durand, E., Clemancey, M., Quoineaud, A. A., Lancelin, J. M., Prigent, Y., Taulelle, F., & Delsuc, M. A. (2009). NMR measure of translational diffusion and fractal dimension. application to molecular mass measurement. Journal of Physical Chemistry B, 113(7), 1914-1918. https://doi.org/10.1021/jp8094424

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abstract = "Experimental NMR diffusion measure on polymers and on globular proteins are presented. These results, complemented with results found in the literature, enable a general description of effective fractal dimension for objects such as small organic molecules, sugars, polymers, DNA, and proteins. Results are compared to computational simulations as well as to theoretical values. A global picture of the diffusion phenomenon emerges from this description. A power law relating molecular mass with diffusion coefficients is described and found to be valid over 4 orders of magnitude. From this law, the fractal dimension of the molecular family can be measured, with experimental values ranging from 1.41 to 2.56 in full agreement with theoretical approaches. Finally, a method for evaluating the molecular mass of unknown solutes is described and implemented as a Web page.",

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AU - Augé, Sophie

AU - Schmit, Pierre Olivier

AU - Crutchfield, Christopher A.

AU - Islam, Mohammad T.

AU - Harris, Douglas J.

AU - Durand, Emmanuelle

AU - Clemancey, Martin

AU - Quoineaud, Anne Agathe

AU - Lancelin, Jean Marc

AU - Prigent, Yann

AU - Taulelle, Francis

AU - Delsuc, Marc André

PY - 2009/2/19

Y1 - 2009/2/19

N2 - Experimental NMR diffusion measure on polymers and on globular proteins are presented. These results, complemented with results found in the literature, enable a general description of effective fractal dimension for objects such as small organic molecules, sugars, polymers, DNA, and proteins. Results are compared to computational simulations as well as to theoretical values. A global picture of the diffusion phenomenon emerges from this description. A power law relating molecular mass with diffusion coefficients is described and found to be valid over 4 orders of magnitude. From this law, the fractal dimension of the molecular family can be measured, with experimental values ranging from 1.41 to 2.56 in full agreement with theoretical approaches. Finally, a method for evaluating the molecular mass of unknown solutes is described and implemented as a Web page.

AB - Experimental NMR diffusion measure on polymers and on globular proteins are presented. These results, complemented with results found in the literature, enable a general description of effective fractal dimension for objects such as small organic molecules, sugars, polymers, DNA, and proteins. Results are compared to computational simulations as well as to theoretical values. A global picture of the diffusion phenomenon emerges from this description. A power law relating molecular mass with diffusion coefficients is described and found to be valid over 4 orders of magnitude. From this law, the fractal dimension of the molecular family can be measured, with experimental values ranging from 1.41 to 2.56 in full agreement with theoretical approaches. Finally, a method for evaluating the molecular mass of unknown solutes is described and implemented as a Web page.

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NMR measure of translational diffusion and fractal dimension. application to molecular mass measurement

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