Investigation of the estrogenic potential of 15 rose, white and red wines via effect-directed ten-dimensional hyphenation

Wine is consumed for thousands of years all over the world, however, its estrogenic potential is still underexplored. A non-target effect-directed screening was developed to reveal estrogen-like and antiestrogen-like compounds in 15 rose, white and red wine samples of different origin and grape variety. Normal-phase high-performance thin-layer chromatography multi-imaging detection (NP-HPTLC -UV/Vis/FLD) was combined with the planar yeast estrogen screen (pYES) bioassay or the duplex planar yeast antagonist estrogen screen (pYAES) bioassay on the same adsorbent surface. Up to nine estrogen-like compound zones were detected and further characterized via heart-cut elution from the planar bioautogram to orthogonal reversed phase high-performance liquid chromatography (RP-HPLC) coupled with diode array detection (DAD) and high-resolution tandem mass spectrometry (HRMS/MS). Among the tentatively assigned estrogen-like substances, the HRMS/MS signals pointed to hexylresorci-nol and diethyl esters from organic acids for the first time. This highlights the method suitability for non-target complex mixture screening and rapid dereplication. The 10D hyphenation NP-HPTLC-UV/Vis/FLD- pYAES -heart cut-RP-HPLC-DAD-HRMS/MS proved to be an efficient and powerful tool for detecting es-trogens as well as antiestrogens in the matrix-rich wine samples. High-throughput capability and sub-stantial reduction in the required resources for analysis were demonstrated by this straightforward hy-phenation, if compared to bioassay-guided fractionation. The 10D information (via orthogonal chromato-graphic, versatile spectrometric and duplex endocrine activity data) obtained during a single chromato-graphic run for many samples in parallel was advantageous for the tentative molecule assignment.(c) 2023 Elsevier B.V. All rights reserved.

Automated summary

Estrogenic and antiestrogenic compounds were detected and characterized in different types of wines using non-target effect-directed screening. This method provides a rapid and efficient way to identify and analyze complex mixtures in wine samples.