Multi-detector characterization of grape seed extract to enable in silico safety assessment

Abstract

Demands for increased analytical rigor have been growing within the botanical and dietary supplement industry due to concerns relative to safety, efficacy, and quality. Adulteration, ambiguous definitions, and insufficient perspective on safety are some of the major issues that arise when selecting a botanical extract. Herein, our comprehensive analytical approach is detailed for the selection of grape seed extracts. This approach provided characterization for the constituents above a threshold of toxicological concern by subjecting the extract to UHPLC-UV-CAD-HRMS and GC-FID & GC-HRMS. Thus, constituents within a wide range of volatility were evaluated. Furthermore, the extract was compared to authenticated botanical materials to confirm that no adulteration took place and was also compared to other grape seed extract sources to confirm that the material falls within the general profile. Finally, these data were cleared via an in silico safety assessment based on the list of constituents above the threshold of toxicological concern.