Back to Search Start Over

Application of Attenuated Total Reflectance–Fourier Transformed Infrared (ATR-FTIR) Spectroscopy To Determine the Chlorogenic Acid Isomer Profile and Antioxidant Capacity of Coffee Beans

Authors :
David D. Kitts
Yaxi Hu
Ningjian Liang
Xiaonan Lu
Source :
Journal of Agricultural and Food Chemistry. 64:681-689
Publication Year :
2016
Publisher :
American Chemical Society (ACS), 2016.

Abstract

The chlorogenic acid isomer profile and antioxidant activity of both green and roasted coffee beans are reported herein using ATR-FTIR spectroscopy combined with chemometric analyses. High-performance liquid chromatography (HPLC) quantified different chlorogenic acid isomer contents for reference, whereas ORAC, ABTS, and DPPH were used to determine the antioxidant activity of the same coffee bean extracts. FTIR spectral data and reference data of 42 coffee bean samples were processed to build optimized PLSR models, and 18 samples were used for external validation of constructed PLSR models. In total, six PLSR models were constructed for six chlorogenic acid isomers to predict content, with three PLSR models constructed to forecast the free radical scavenging activities, obtained using different chemical assays. In conclusion, FTIR spectroscopy, coupled with PLSR, serves as a reliable, nondestructive, and rapid analytical method to quantify chlorogenic acids and to assess different free radical-scavenging capacities in coffee beans.

Details

ISSN :
15205118 and 00218561
Volume :
64
Database :
OpenAIRE
Journal :
Journal of Agricultural and Food Chemistry
Accession number :
edsair.doi.dedup.....26118e50b4eec1d44c3bf8ac6f60f4a6
Full Text :
https://doi.org/10.1021/acs.jafc.5b05682