Multi-Detector Characterization of Grape Seed Extract to Enable in silico Safety Assessment

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...

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Main Authors: Vincent P. Sica, Catherine Mahony, Timothy R. Baker
Format: Article
Language:English
Published: Frontiers Media S.A. 2018-08-01
Series:Frontiers in Chemistry
Subjects:
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2018.00334/full
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author Vincent P. Sica
Catherine Mahony
Timothy R. Baker
author_facet Vincent P. Sica
Catherine Mahony
Timothy R. Baker
author_sort Vincent P. Sica
collection DOAJ
description 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.
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spelling doaj.art-51f299a6ec7a47f4834e80eb7820d37c2022-12-22T01:02:04ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462018-08-01610.3389/fchem.2018.00334363787Multi-Detector Characterization of Grape Seed Extract to Enable in silico Safety AssessmentVincent P. Sica0Catherine Mahony1Timothy R. Baker2Corporate Functions Analytical, The Procter & Gamble Company, Mason, OH, United StatesCentral Product Safety, The Procter & Gamble Company Technical Centres Ltd, Egham, United KingdomCorporate Functions Analytical, The Procter & Gamble Company, Mason, OH, United StatesDemands 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.https://www.frontiersin.org/article/10.3389/fchem.2018.00334/fullVitis viniferagrape seeddietary supplementsoligomeric proanthocyanidinstanninsthreshold of toxicological concern
spellingShingle Vincent P. Sica
Catherine Mahony
Timothy R. Baker
Multi-Detector Characterization of Grape Seed Extract to Enable in silico Safety Assessment
Frontiers in Chemistry
Vitis vinifera
grape seed
dietary supplements
oligomeric proanthocyanidins
tannins
threshold of toxicological concern
title Multi-Detector Characterization of Grape Seed Extract to Enable in silico Safety Assessment
title_full Multi-Detector Characterization of Grape Seed Extract to Enable in silico Safety Assessment
title_fullStr Multi-Detector Characterization of Grape Seed Extract to Enable in silico Safety Assessment
title_full_unstemmed Multi-Detector Characterization of Grape Seed Extract to Enable in silico Safety Assessment
title_short Multi-Detector Characterization of Grape Seed Extract to Enable in silico Safety Assessment
title_sort multi detector characterization of grape seed extract to enable in silico safety assessment
topic Vitis vinifera
grape seed
dietary supplements
oligomeric proanthocyanidins
tannins
threshold of toxicological concern
url https://www.frontiersin.org/article/10.3389/fchem.2018.00334/full
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AT timothyrbaker multidetectorcharacterizationofgrapeseedextracttoenableinsilicosafetyassessment