Document Type

Article

Publication Date

11-25-2020

Publisher

American Chemical Society

Source Publication

Journal of Agricultural Food and Chemistry

Source ISSN

0021-8561

Original Item ID

10.1021/acs.jafc.0c05392

Abstract

Proanthocyanidins (PACs) are near-ubiquitous and chemically complex metabolites, prototypical of higher plants. Their roles in food/feed/nutrition and ethnomedicine are widely recognized but poorly understood. With the analysis of evidence that underlies this challenge, this perspective identifies shortcomings in capturing and delineating PAC structures as key factors. While several groups have forwarded new representations, a consensus method that captures PAC structures concisely and offers high integrity for electronic storage is required to reduce confusion in this expansive field. The PAC block arrays (PACBAR) system fills this gap by providing precise and human- and machine-readable structural descriptors that capture PAC metabolomic structural diversity. PACBAR enables communication of PAC structures for the development of precise structure–activity relationships and will assist in advancing PAC research to the next level.

Comments

Accepted version. Journal of Agricultural and Food Chemistry, Vol. 68, No. 47 (November 25, 2020): 13541-13549. DOI. © 2020 American Chemical Society. Used with permission.

Available for download on Wednesday, December 01, 2021

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