Molecular mass estimation by PFG NMR spectroscopy

Christopher A. Crutchfield; Douglas J. Harris

doi:10.1016/j.jmr.2006.12.004

Molecular mass estimation by PFG NMR spectroscopy

Christopher A. Crutchfield, Douglas J. Harris^*

^*Corresponding author for this work

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46 Scopus citations

Abstract

A simplified PFG NMR diffusion analysis method was developed to estimate the molecular mass of small molecules in dilute aqueous and organic solutions. Internal referencing was utilized to improve the experimental robustness and simplify the data analysis. Specifically, tetramethylsilane (TMS) and HDO were chosen for the organic and aqueous reference molecules, respectively. Relative diffusivity-molecular mass correlations were empirically developed in the range of 2-1280 g/mol for dilute CDCl₃ and D₂O solutions. The median error in the predicted molecular mass was found to be 10 rel%. The utility of the method was demonstrated by analyzing the major and minor components in olive oil.

Original language	English (US)
Pages (from-to)	179-182
Number of pages	4
Journal	Journal of Magnetic Resonance
Volume	185
Issue number	1
DOIs	https://doi.org/10.1016/j.jmr.2006.12.004
State	Published - Mar 2007

Keywords

Diffusion
DOSY
Molecular mass
PFG NMR
Relative diffusivity

ASJC Scopus subject areas

Biophysics
Biochemistry
Nuclear and High Energy Physics
Condensed Matter Physics

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10.1016/j.jmr.2006.12.004

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abstract = "A simplified PFG NMR diffusion analysis method was developed to estimate the molecular mass of small molecules in dilute aqueous and organic solutions. Internal referencing was utilized to improve the experimental robustness and simplify the data analysis. Specifically, tetramethylsilane (TMS) and HDO were chosen for the organic and aqueous reference molecules, respectively. Relative diffusivity-molecular mass correlations were empirically developed in the range of 2-1280 g/mol for dilute CDCl3 and D2O solutions. The median error in the predicted molecular mass was found to be 10 rel%. The utility of the method was demonstrated by analyzing the major and minor components in olive oil.",

keywords = "Diffusion, DOSY, Molecular mass, PFG NMR, Relative diffusivity",

author = "Crutchfield, {Christopher A.} and Harris, {Douglas J.}",

year = "2007",

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AU - Crutchfield, Christopher A.

AU - Harris, Douglas J.

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AB - A simplified PFG NMR diffusion analysis method was developed to estimate the molecular mass of small molecules in dilute aqueous and organic solutions. Internal referencing was utilized to improve the experimental robustness and simplify the data analysis. Specifically, tetramethylsilane (TMS) and HDO were chosen for the organic and aqueous reference molecules, respectively. Relative diffusivity-molecular mass correlations were empirically developed in the range of 2-1280 g/mol for dilute CDCl3 and D2O solutions. The median error in the predicted molecular mass was found to be 10 rel%. The utility of the method was demonstrated by analyzing the major and minor components in olive oil.

KW - Diffusion

KW - DOSY

KW - Molecular mass

KW - PFG NMR

KW - Relative diffusivity

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EP - 182

JO - Journal of Magnetic Resonance

JF - Journal of Magnetic Resonance

IS - 1

ER -

Molecular mass estimation by PFG NMR spectroscopy

Abstract

Keywords

ASJC Scopus subject areas

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