Matrix-Specific Effects on Caffeine and Chlorogenic Acid Complexation in a Novel Extract of Whole <i>Coffea arabica</i> Coffee Cherry by NMR Spectroscopy
Coffee cherry is a rich source of caffeine and chlorogenic acids. In this study we investigate the structural analysis of caffeine-enriched whole coffee cherry extracts, CEWCCE by using <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy. The changes in <sup>1</sup>...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-11-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/22/7803 |
| _version_ | 1797464451311468544 |
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| author | Boris Nemzer John Edwards Diganta Kalita |
| author_facet | Boris Nemzer John Edwards Diganta Kalita |
| author_sort | Boris Nemzer |
| collection | DOAJ |
| description | Coffee cherry is a rich source of caffeine and chlorogenic acids. In this study we investigate the structural analysis of caffeine-enriched whole coffee cherry extracts, CEWCCE by using <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy. The changes in <sup>1</sup>H chemical shift data in NMR spectra of CEWCCE compared to pure caffeine indicated the formation of complexes between caffeine and chlorogenic acids in aqueous solution. The effect of complexation on the peak position of caffeoylquinic acid and caffeine resonance with increasing addition of caffeine was investigated. 2D NOESY experiments show the presence of cross-peaks that are due to the proximity of chlorogenic acid and caffeine molecules in stable complexes in protic solvents. The quantification data of caffeine by <sup>1</sup>H qNMR was found to be in close agreement with the data obtained by HPLC analysis. |
| first_indexed | 2024-03-09T18:08:19Z |
| format | Article |
| id | doaj.art-d0f6170d31bf439b8f93e704a7ff8a69 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T18:08:19Z |
| publishDate | 2022-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-d0f6170d31bf439b8f93e704a7ff8a692023-11-24T09:21:28ZengMDPI AGMolecules1420-30492022-11-012722780310.3390/molecules27227803Matrix-Specific Effects on Caffeine and Chlorogenic Acid Complexation in a Novel Extract of Whole <i>Coffea arabica</i> Coffee Cherry by NMR SpectroscopyBoris Nemzer0John Edwards1Diganta Kalita2VDF FutureCeuticals, Inc., Momence, IL 60954, USAProcess NMR Associates, LLC, Poughkeepsie, NY 12603, USAVDF FutureCeuticals, Inc., Momence, IL 60954, USACoffee cherry is a rich source of caffeine and chlorogenic acids. In this study we investigate the structural analysis of caffeine-enriched whole coffee cherry extracts, CEWCCE by using <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy. The changes in <sup>1</sup>H chemical shift data in NMR spectra of CEWCCE compared to pure caffeine indicated the formation of complexes between caffeine and chlorogenic acids in aqueous solution. The effect of complexation on the peak position of caffeoylquinic acid and caffeine resonance with increasing addition of caffeine was investigated. 2D NOESY experiments show the presence of cross-peaks that are due to the proximity of chlorogenic acid and caffeine molecules in stable complexes in protic solvents. The quantification data of caffeine by <sup>1</sup>H qNMR was found to be in close agreement with the data obtained by HPLC analysis.https://www.mdpi.com/1420-3049/27/22/7803caffeinechlorogenic acidcaffeine-chlorogenic acid complexwhole coffee cherryNMR spectroscopy |
| spellingShingle | Boris Nemzer John Edwards Diganta Kalita Matrix-Specific Effects on Caffeine and Chlorogenic Acid Complexation in a Novel Extract of Whole <i>Coffea arabica</i> Coffee Cherry by NMR Spectroscopy Molecules caffeine chlorogenic acid caffeine-chlorogenic acid complex whole coffee cherry NMR spectroscopy |
| title | Matrix-Specific Effects on Caffeine and Chlorogenic Acid Complexation in a Novel Extract of Whole <i>Coffea arabica</i> Coffee Cherry by NMR Spectroscopy |
| title_full | Matrix-Specific Effects on Caffeine and Chlorogenic Acid Complexation in a Novel Extract of Whole <i>Coffea arabica</i> Coffee Cherry by NMR Spectroscopy |
| title_fullStr | Matrix-Specific Effects on Caffeine and Chlorogenic Acid Complexation in a Novel Extract of Whole <i>Coffea arabica</i> Coffee Cherry by NMR Spectroscopy |
| title_full_unstemmed | Matrix-Specific Effects on Caffeine and Chlorogenic Acid Complexation in a Novel Extract of Whole <i>Coffea arabica</i> Coffee Cherry by NMR Spectroscopy |
| title_short | Matrix-Specific Effects on Caffeine and Chlorogenic Acid Complexation in a Novel Extract of Whole <i>Coffea arabica</i> Coffee Cherry by NMR Spectroscopy |
| title_sort | matrix specific effects on caffeine and chlorogenic acid complexation in a novel extract of whole i coffea arabica i coffee cherry by nmr spectroscopy |
| topic | caffeine chlorogenic acid caffeine-chlorogenic acid complex whole coffee cherry NMR spectroscopy |
| url | https://www.mdpi.com/1420-3049/27/22/7803 |
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