Silicone-specific identification of trace polydimethylsiloxanes in wines with 2D-diffusion-ordered nuclear magnetic resonance spectroscopy (DOSY-NMR)

Present work stresses a novel analytical approach for increasing the specificity of standard NMR approaches for identifying polydimethylsiloxane (PDMS) and further silicone moieties in wines’ organic extracts, by including a second dimension that correlates chemical shifts with diffusion coefficient...

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Bibliographic Details
Main Authors: Herbert-Pucheta José Enrique, Hernández-Rangel Álvaro Omar, Vargas-Díaz María Elena, Sánchez Karla Hernández, Zepeda-Vallejo Luis Gerardo, Jiménez-García Montserrat
Format: Article
Language:English
Published: EDP Sciences 2023-01-01
Series:BIO Web of Conferences
Online Access:https://www.bio-conferences.org/articles/bioconf/full_html/2023/13/bioconf_oiv2023_02004/bioconf_oiv2023_02004.html
Description
Summary:Present work stresses a novel analytical approach for increasing the specificity of standard NMR approaches for identifying polydimethylsiloxane (PDMS) and further silicone moieties in wines’ organic extracts, by including a second dimension that correlates chemical shifts with diffusion coefficients by means of pulsed-field gradient diffusion ordered spectroscopy (DOSY-NMR). Each silicone source in wines is unambiguously assigned by correlation of both local chemical environments and by a unique diffusion coefficient value, in turn related to a hydrodynamic radius (RH) that can be obtained with respect proper internal standards. Obtained PDMS diffusion coefficient values and hydrodynamic radii in wines’ extracts, in agreement with expected values, present a selectivity and specificity so far not reported, that positions DOSY-NMR spectroscopy as an alternative in oenology for controlling PDMS limits.
ISSN:2117-4458