Proanthocyanidin Block Arrays (PACBAR) for Comprehensive Capture and Delineation of Proanthocyanidin Structures
American Chemical Society
Journal of Agricultural Food and Chemistry
Original Item ID
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.
Jing, Shuxi; Zeller, Wayne E.; Ferreira, Daneel; Zhou, Bin; Nam, Joo-Won; Bedran-Russo, Ana K.; Chen, Shao-Nong; and Pauli, Guido F., "Proanthocyanidin Block Arrays (PACBAR) for Comprehensive Capture and Delineation of Proanthocyanidin Structures" (2020). School of Dentistry Faculty Research and Publications. 380.
ADA Accessible Version
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.