Fangyu Hu

Roasting Process of Coffee Beans as Studied by Nuclear Magnetic Resonance: Time Course of Changes in Composition

In this paper, we report a (1)H and (13)C nuclear magnetic resonance (NMR)-based comprehensive analysis of coffee bean extracts of different degrees of roast. The roasting process of coffee bean extracts was chemically characterized using detailed signal assignment information coupled with multivariate data analysis. A total of 30 NMR-visible components of coffee bean extracts were monitored simultaneously as a function of the roasting duration. During roasting, components such as sucrose and chlorogenic acids were degraded and components such as quinic acids, N-methylpyridinium, and water-soluble polysaccharides were formed. Caffeine and myo-inositol were relatively thermally stable. Multivariate data analysis indicated that some components such as sucrose, chlorogenic acids, quinic acids, and polysaccharides could serve as chemical markers during coffee bean roasting. The present composition-based quality analysis provides an excellent holistic method and suggests useful chemical markers to control and characterize the coffee-roasting process.

13C NMR-Based Metabolomics for the Classification of Green Coffee Beans According to Variety and Origin

(13)C NMR-based metabolomics was demonstrated as a useful tool for distinguishing the species and origins of green coffee bean samples of arabica and robusta from six different geographic regions. By the application of information on (13)C signal assignment, significantly different levels of 14 metabolites of green coffee beans were identified in the classifications, including sucrose, caffeine, chlorogenic acids, choline, amino acids, organic acids, and trigonelline, as captured by multivariate analytical models. These studies demonstrate that the species and geographical origin can be quickly discriminated by evaluating the major metabolites of green coffee beans quantitatively using (13)C NMR-based metabolite profiling.

Complex mixture analysis of organic compounds in green coffee bean extract by two-dimensional NMR spectroscopy

A complex mixture analysis by one‐ and two‐dimensional nuclear magnetic resonance (NMR) spectroscopy was carried out for the first time for the identification and quantification of organic compounds in green coffee bean extract (GCBE). A combination of 1H1H DQF‐COSY, 1H13C HSQC, and 1H13C CT‐HMBC two‐dimensional sequences was used, and 16 compounds were identified. In particular, three isomers of caffeoylquinic acid were identified in the complex mixture without any separation. In addition, GCBE components were quantified by the integration of carbon signals by use of a relaxation reagent and an inverse‐gated decoupling method without a nuclear Overhauser effect. This NMR methodology provides detailed information about the kinds and amounts of GCBE components, and in our study, the chemical makeup of GCBE was clarified by the NMR results. Copyright

Two-dimensional 1H-13C nuclear magnetic resonance (NMR)-based comprehensive analysis of roasted coffee bean extract.

Coffee was characterized by proton and carbon nuclear magnetic resonance (NMR) spectroscopy. To identify the coffee components, a detailed and approximately 90% signal assignment was carried out using various two-dimensional NMR spectra and a spiking method, in which authentic compounds were added to the roasted coffee bean extract (RCBE) sample. A total of 24 coffee components, including 5 polysaccharide units, 3 stereoisomers of chlorogenic acids, and 2 stereoisomers of quinic acids, were identified with the NMR spectra of RCBE. On the basis of the signal assignment, state analyses were further launched for the metal ion-citrate complexes and caffeine-chlorogenate complexes. On the basis of the signal integration, the coffee components were successfully quantified. This NMR methodology yielded detailed information on RCBE using only a single observation and provides a systemic approach for the analysis of other complex mixtures.

Complex Mixture Analysis of Organic Compounds in Yogurt by NMR Spectroscopy.

NMR measurements do not require separation and chemical modification of samples and therefore rapidly and directly provide non-targeted information on chemical components in complex mixtures. In this study, one-dimensional (1H, 13C, and 31P) and two-dimensional (1H-13C and 1H-31P) NMR spectroscopy were conducted to analyze yogurt without any pretreatment. 1H, 13C, and 31P NMR signals were assigned to 10 types of compounds. The signals of α/β-lactose and α/β-galactose were separately observed in the 1H NMR spectra. In addition, the signals from the acyl chains of milk fats were also successfully identified but overlapped with many other signals. Quantitative difference spectra were obtained by subtracting the diffusion ordered spectroscopy (DOSY) spectra from the quantitative 1H NMR spectra. This method allowed us to eliminate interference on the overlaps; therefore, the correct intensities of signals overlapped with those from the acyl chains of milk fat could be determined directly without separation. Moreover, the 1H-31P HMBC spectra revealed for the first time that N-acetyl-d-glucosamine-1-phosphate is contained in yogurt.

Real-Time Monitoring of Chemical Changes in Three Kinds of Fermented Milk Products during Fermentation Using Quantitative Difference Nuclear Magnetic Resonance Spectroscopy

Fermented milk products are rising in popularity throughout the world as a result of their health benefits, including improving digestion, normalizing the function of the immune system, and aiding in weight management. This study applies an in situ quantitative nuclear magnetic resonance method to monitor chemical changes in three kinds of fermented milk products, Bulgarian yogurt, Caspian Sea yogurt, and kefir, during fermentation. As a result, the concentration changes in nine organic compounds, α/β-lactose, α/β-galactose, lactic acid, citrate, ethanol, lecithin, and creatine, were monitored in real time. This revealed three distinct metabolic processes in the three fermented milk products. Moreover, pH changes were also determined by variations in the chemical shift of citric acid during the fermentation processes. These results can be applied to estimate microbial metabolism in various flora and help guide the fermentation and storage of various fermented milk products to improve their quality, which may directly influence human health.

Comprehensive Analysis of Coffee Bean Extracts by NMR Spectroscopy: Time Course of Changes in Composition

Coffee bean extracts have been comprehensively analyzed by proton and carbon nuclear magnetic resonance (NMR) spectroscopy. Detailed signal assignments of green and roasted coffee bean extracts were carried out using various two-dimensional NMR spectra. Furthermore, the chemical changes over time during coffee bean roasting process were performed by NMR spectroscopy. Thirty NMR-visible components of coffee bean extracts were monitored simultaneously as a function of the roasting duration. The composition-based quality analysis offered an excellent holistic method and significant chemical markers to control and characterize the coffee roasting process.