Using high field cryoprobe NMR experiments and multivariate analysis to identify bioactive components in black raspberries

ANYL 176

Faith J. Wyzgoski, wyzgoski.1@osu.edu1, Peter L. Rinaldi, PeterRinaldi@uakron.edu2, R. Neil Reese3, Joseph C. Scheerens4, A. Raymond Miller5, Bert L. Bishop6, M. Monica Giusti, giusti.6@osu.edu7, Joshua L. Bomser8, Mustafa Ozgen9, Artemio Z. Tulio Jr.5, and Pu Jing7. (1) Department of Chemistry, The Ohio State University, 1680 University Drive, Mansfield, OH 44906, (2) Department of Chemistry, The University of Akron, 190E. Buchtel Ave, Akron, OH 44325, (3) Biology & Microbiology, South Dakota State University, NPB 249b, Brookings, SD 57007, (4) Department of Horticulture and Crop Science, Ohio State University, Ohio Agricultural and Research & Development Center, Wooster, OH 44691, (5) Department of Horticulture & Crop Science, Ohio State University, Ohio Agricultural Research & Development Center, Wooster, OH 44691, (6) Ohio State University, Ohio Agricultural Research and Development Center, Wooster, OH 44691, (7) Food Science and Technology, The Ohio State University, 2015 Fyffe Rd, Columbus, OH 43210, (8) Department of Human Nutrition, The Ohio State University, 1787 Neil Avenue, Columbus, OH 43210, (9) Department of Horticulture, GOP University, Tasliciftlik, Tokat, 60240, Turkey
Black raspberries have been found to be chemopreventive with respect to oral, esophageal and colon cancers. To identify probable bioactive components, NMR experiments on several cultivars were conducted using a 750 MHz spectrometer equipped with a cryoprobe, permitting a significant improvement in sensitivity. Integrated areas of the proton NMR spectra at 3Hz (0.004 ppm) intervals were used to compute the principal components. Black raspberry samples that were influential for each principal component were determined. Correlations between the principal components and variables, such as anthocyanin content, antioxidant activity, total phenolics and bioactivity as measured by inhibition of colon cancer HT-29 lines, were computed by regression analysis. Areas in the proton NMR spectrum that were important to each principal component were identified according to the magnitude of their eigenvalues. Results from multidimensional NMR experiments such as DQCOSY, HSQC, HMBC, HSQCTOCSY and TNDQCOSY aided spectral interpretation. Thus, even minor bioactive components in black raspberries could be examined to determine additive and/or synergistic effects.
 

General Papers
7:00 PM-9:00 PM, Sunday, 10 September 2006 Moscone Center -- Hall D, Poster

Division of Analytical Chemistry

The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006