Reese, R. N. , Wyzgoski, Faith J. , Paudel , Liladhar , Rinaldi, Peter L. , Ozgen, Mustafa , Tulio Jr., Artemio Z. , Miller, A. Raymond , Schreens, J. C. , Hardy, James K. , Giusti, M. Monica , Bomser, Joshua A , Johnson, Jodee .
NMR-based modeling of secondary plant products to identify active compounds in chemical and biological assays.
Black raspberry (Rubus occidentalis L.) fruit extracts have chemopreventive properties with regard to oral, esophageal and colon cancers. In vitro and clinical studies with human cells and subjects have shown that the effects of the extracts are not the result of a single compound, but a synergy between several secondary products. Our research uses NMR-based modeling to increase understanding of the relationships between active components in black raspberries (BR). To validate our methods, a model was initially constructed that employed high field NMR data from variable BR samples, using partial least squares regression analysis against measurements of total monomeric anthocyanin content (TMA), and antioxidant capacity by the ferric reducing antioxidant power (FRAP) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) assays. The model revealed structure-property relationships among anthocyanins, cyanidin 3-O-rutinoside (Cy 3-rut); cyanidin 3-O-(2(G))-xylosylrutinoside (Cy 3-xylrut) and cyanidin 3-O-glucoside (Cy 3-glc) that accounted for variability in assay results. Subsequent NMR spectra of BR fruit extracts from several farms, collected at various stages of ripeness, were regressed against each extract’s impact on in vitro human cancer cell inhibition. The results have shown that in addition to anthocyanins, other phenolic compounds contribute significantly to the extracts’ biological activity.
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1 - South Dakota State University, Department of Biology & Microbiology, Box 2140D, Brookings,, South Dakota, 57007, USA
2 - Ohio State University at Mansfield, Mansfield, Ohio, 44906, USA
3 - University of Akron, Department of Chemistry, Akron, OH, 44325-3601, USA
4 - Gaziosmanpaşa University, Department of Horticulture, Tasliciftlik, Tokat, 60240, Turkey
5 - U.S. Food and Drug Administration, Center for Food Safety and Applied Nutrition , 6502 S Archer Rd, Summit-Argo, IL, 60501-1957
6 - The Ohio State University, Ohio Agricultural Research and Development, Department of Horticulture and Crop Science, 1680 Madison Avenue, Wooster, OH, 44691, USA
7 - The Ohio State University, Department of Food Science and Technology, Columbus, OH, 43210 , USA
Presentation Type: Poster:Posters for Sections
Location: Hall A/Convention Center
Date: Monday, August 2nd, 2010
Time: 5:30 PM