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Application of Attenuated Total Reflectance–Fourier Transformed Infrared (ATR-FTIR) Spectroscopy To Determine the Chlorogenic Acid Isomer Profile and Antioxidant Capacity of Coffee Beans
- 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.
- Subjects :
- DPPH
Coffea
01 natural sciences
High-performance liquid chromatography
Antioxidants
Chemometrics
chemistry.chemical_compound
0404 agricultural biotechnology
Isomerism
Chlorogenic acid
Spectroscopy, Fourier Transform Infrared
Organic chemistry
Coffee bean
Chromatography
ABTS
biology
010401 analytical chemistry
04 agricultural and veterinary sciences
General Chemistry
biology.organism_classification
040401 food science
0104 chemical sciences
chemistry
Attenuated total reflection
Seeds
Chlorogenic Acid
General Agricultural and Biological Sciences
Subjects
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