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A Simple Elimination of the Thermal Convection Effect in NMR Diffusiometry Experiments

Thermal convection is always present when the temperature of an NMR experiment is different from the ambient one. Most often, it falsifies the value of the diffusion coefficient determined by NMR diffusiometry using a PGSE NMR experiment. In spite of common belief, it acts not only at higher tempera...

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Autores principales: Nyul, Dávid, Novák, Levente, Kéri, Mónika, Bányai, István
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9573581/
https://www.ncbi.nlm.nih.gov/pubmed/36234936
http://dx.doi.org/10.3390/molecules27196399
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author Nyul, Dávid
Novák, Levente
Kéri, Mónika
Bányai, István
author_facet Nyul, Dávid
Novák, Levente
Kéri, Mónika
Bányai, István
author_sort Nyul, Dávid
collection PubMed
description Thermal convection is always present when the temperature of an NMR experiment is different from the ambient one. Most often, it falsifies the value of the diffusion coefficient determined by NMR diffusiometry using a PGSE NMR experiment. In spite of common belief, it acts not only at higher temperatures but also at temperatures lower than in the laboratory. Sodium alkyl-sulfate monomers and micelles in D(2)O solvent were used as model molecules measured at T = 319 K in order to show that thermal convection sometimes remains hidden in experiments. In this paper, we demonstrate that the increase in apparent diffusion coefficient with increasing diffusion time is a definite indicator of thermal convection. Extrapolation to zero diffusion time can also be used to obtain the real diffusion coefficient, likewise applying the less sensitive pulse sequences designed for flow compensation or the expensive hardware, e.g., sapphire or Shigemi NMR tubes, to decrease the temperature gradient. Further, we show experiments illustrating the effect of a long diffusion time in which the periodic changes of the echo intensity with gradient strength appear as predicted by theories.
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spelling pubmed-95735812022-10-17 A Simple Elimination of the Thermal Convection Effect in NMR Diffusiometry Experiments Nyul, Dávid Novák, Levente Kéri, Mónika Bányai, István Molecules Article Thermal convection is always present when the temperature of an NMR experiment is different from the ambient one. Most often, it falsifies the value of the diffusion coefficient determined by NMR diffusiometry using a PGSE NMR experiment. In spite of common belief, it acts not only at higher temperatures but also at temperatures lower than in the laboratory. Sodium alkyl-sulfate monomers and micelles in D(2)O solvent were used as model molecules measured at T = 319 K in order to show that thermal convection sometimes remains hidden in experiments. In this paper, we demonstrate that the increase in apparent diffusion coefficient with increasing diffusion time is a definite indicator of thermal convection. Extrapolation to zero diffusion time can also be used to obtain the real diffusion coefficient, likewise applying the less sensitive pulse sequences designed for flow compensation or the expensive hardware, e.g., sapphire or Shigemi NMR tubes, to decrease the temperature gradient. Further, we show experiments illustrating the effect of a long diffusion time in which the periodic changes of the echo intensity with gradient strength appear as predicted by theories. MDPI 2022-09-27 /pmc/articles/PMC9573581/ /pubmed/36234936 http://dx.doi.org/10.3390/molecules27196399 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Nyul, Dávid
Novák, Levente
Kéri, Mónika
Bányai, István
A Simple Elimination of the Thermal Convection Effect in NMR Diffusiometry Experiments
title A Simple Elimination of the Thermal Convection Effect in NMR Diffusiometry Experiments
title_full A Simple Elimination of the Thermal Convection Effect in NMR Diffusiometry Experiments
title_fullStr A Simple Elimination of the Thermal Convection Effect in NMR Diffusiometry Experiments
title_full_unstemmed A Simple Elimination of the Thermal Convection Effect in NMR Diffusiometry Experiments
title_short A Simple Elimination of the Thermal Convection Effect in NMR Diffusiometry Experiments
title_sort simple elimination of the thermal convection effect in nmr diffusiometry experiments
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9573581/
https://www.ncbi.nlm.nih.gov/pubmed/36234936
http://dx.doi.org/10.3390/molecules27196399
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