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

Abstract

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.