Carboxymethyl cellulose-based multifunctional film integrated with polyphenol-rich extract and carbon dots from coffee husk waste for active food packaging applications.

Sustainable carboxymethyl cellulose (CMC)-based active composite films were developed through the addition of polyphenol-rich extract from coffee husk (CHE) and carbon dots (CDs) prepared using the biowaste residue of CHE extraction. The influences of various CDs contents on the physicochemical and functional characteristics of composite films have been researched. The 6% (w/w) CHE and 3% (w/w) CDs were uniformly dispersed within the CMC matrix to produce a homogenous film with enhanced mechanical properties. The CMC/CHE/CDs3% film exhibited outstanding UV-light blocking, improved water and gas barriers, potent antioxidant activity with above 95% DPPH and ABTS scavenging rates, and effective antibacterial capabilities against L. monocytogenes and E. coli. The food packaging experiment demonstrated that this active composite film slowed the rotting of fresh-cut apples and extended their shelf-life to 7 days at 4 °C storage. Therefore, the obtained multifunctional film showed promise as an environmentally friendly food packaging material.

Green Synthesis of Selenium Nanoparticles using Green Coffee Beans: An Optimization Study.

In this study, ultrasonication extraction of some bioactive compounds from green coffee beans was optimized with the response surface method using Box-Behnken experimental design. The best condition was selected as 90.90 W ultrasonic power, 33.63 min sonication time and 30 % solid concentration. The responses obtained under optimum conditions had TPC, DPPH and CUPRAC values identified as 6603.33±2025.94 ppm GAE, 9638.31±372.17 ppm TE and 98.83 mmol, respectively. Microwave-assisted selenium nanoparticle production was carried out using the extract obtained under optimized conditions. The produced selenium nanoparticles showed absorbance between 350-400 nm. The surface morphology and size of the nanoparticles were determined by transmission electron microscopy (TEM) and spherical nanoparticles of about 100 nm were produced. Functional groups affecting the reduction were determined by FTIR analysis. In addition, the produced selenium nanoparticles had amorphous (non-uniform) structure and could maintain their stability at high temperatures.

Exploring the microbiome of coffee plants: Implications for coffee quality and production.

Coffee stands as one of the world's most popular beverages, and its quality undergoes the influence of numerous pre- and post-harvest procedures. These encompass genetic variety, cultivation environment, management practices, harvesting methods, and post-harvest processing. Notably, microbial communities active during fermentation hold substantial sway over the ultimate quality and sensory characteristics of the final product. The interaction between plants and microorganisms assumes critical significance, with specific microbes assuming pivotal roles in coffee plant growth, fruit development, and, subsequently, the fruit's quality. Microbial activities can synthesize or degrade compounds that influence the sensory profile of the beverage. However, studies on the metabolic products generated by various coffee-related microorganisms and their chemical functionality, especially in building sensory profiles, remain scarce. The primary aim of this study was to conduct a literature review, based on a narrative methodology, on the current understanding of the plant-microorganism interaction in coffee production. Additionally, it aimed to explore the impacts of microorganisms on plant growth, fruit production, and the fermentation processes, directly influencing the ultimate quality of the coffee beverage. Articles were sourced from ScienceDirect, Scopus, Web of Science, and Google Scholar using specific search terms such as "coffee microorganisms", "microorganisms-coffee interactions", "coffee fermentation", "coffee quality", and 'coffee post-harvest processing". The articles used were published in English between 2000 and 2023. Selection criteria involved thoroughly examining articles to ensure their inclusion was based on results about the contribution of microorganisms to both the production and quality of the coffee beverage. The exploration of microorganisms associated with the coffee plant and its fruit presents opportunities for bioprospecting, potentially leading to targeted fermentations via starter cultures, consequently generating new profiles. This study synthesizes existing data on the current understanding of the coffee-associated microbiome, its functionalities within ecosystems, the metabolic products generated by microorganisms, and their impacts on fermentation processes and grain and beverage quality. It highlights the importance of plant-microorganism interactions in the coffee production chain.

Characterization and bioactivities of coffee husks extract encapsulated with polyvinylpyrrolidone.

Coffee processing generates large amounts of residues of which a portion still has bioactive properties due to their richness in phenolic compounds. This study aimed to obtain a coffee husks extract (CHE) and to encapsulate it (ECHE) with polyvinylpyrrolidone using a one-step procedure of solid dispersion. The extraction and encapsulation yields were 9.1% and 92%, respectively. Thermal analyses revealed that the encapsulation increased the thermal stability of CHE and dynamic light scattering analyses showed a bimodal distribution of size with 81% of the ECHE particles measuring approximately 711 nm. Trigonelline and caffeine were the main alkaloids and quercetin the main phenolic compound in CHE, and the encapsulation tripled quercetin extraction. The total phenolics content and the antioxidant activity of ECHE, assayed with three different procedures, were higher than those of CHE. The antioxidant activity and the bioaccessibility of the phenolic compounds of ECHE were also higher than those of CHE following simulated gastrointestinal digestion (SGID). Both CHE and ECHE were not toxic against Alliumcepa cells and showed similar capacities for inhibiting the pancreatic α-amylase in vitro. After SGID, however, ECHE became a 1.9-times stronger inhibitor of the α-amylase activity in vitro (IC50 = 8.5 mg/mL) when compared to CHE. Kinetic analysis revealed a non-competitive mechanism of inhibition and in silico docking simulation suggests that quercetin could be contributing significantly to the inhibitory action of both ECHE and CHE. In addition, ECHE (400 mg/kg) was able to delay by 50% the increases of blood glucose in vivo after oral administration of starch to rats. This finding shows that ECHE may be a candidate ingredient in dietary supplements used as an adjuvant for the treatment of diabetes.

Antioxidant, antimicrobial and healing properties of an extract from coffee pulp for the development of a phytocosmetic.

Consumer demand for natural, chemical-free products has grown. Food industry residues, like coffee pulp, rich in caffeine, chlorogenic acid and phenolic compounds, offer potential for pharmaceutical and cosmetic applications due to their antioxidant, anti-inflammatory, and antibacterial properties. Therefore, the objective of this work was to develop a phytocosmetic only with natural products containing coffee pulp extract as active pharmaceutical ingredient with antioxidant, antimicrobial and healing activity. Eight samples from Coffea arabica and Coffea canephora Pierre were analyzed for caffeine, chlorogenic acid, phenolic compounds, tannins, flavonoids, cytotoxicity, antibacterial activity, and healing potential. The Robusta IAC-extract had the greatest prominence with 192.92 µg/mL of chlorogenic acid, 58.98 ± 2.88 mg GAE/g sample in the FRAP test, 79.53 ± 5.61 mg GAE/g sample in the test of total phenolics, was not cytotoxic, and MIC 3 mg/mL against Staphylococcus aureus. This extract was incorporated into a stable formulation and preferred by 88% of volunteers. At last, a scratch assay exhibited the formulation promoted cell migration after 24 h, therefore, increased scratch retraction. In this way, it was possible to develop a phytocosmetic with the coffee pulp that showed desirable antioxidant, antimicrobial and healing properties.

Fractionation and characterization of cell wall polysaccharides from coffee (Coffea arabica L.) pulp.

Cell wall polysaccharides were isolated by sequential extractions from coffee pulp, the main solid waste from coffee processing. Extractions were conducted with distilled water at room and boiling temperatures, 0.5 % ammonium oxalate and 0.05 M Na2CO3 to obtain pectic fractions. Hemicelluloses were extracted by using 2 M and 4 M NaOH. The composition of the hemicellulose fractions suggested the presence of xyloglucans, galactomannans and arabinogalactan-proteins (AGPs). The main part of the cell wall polysaccharides recovered from coffee pulp were pectins branched with arabinogalactans. Coffee pulp pectic fractions were low-methoxylated with various amounts of protein (0.5-8.4 %) and phenolics (0.7-8.5 %). Detection at 280 nm in the HPSEC analyses and radial gel diffusion assay using Yariv reagent indicated the presence of AGPs in most of these fractions. NMR analyses of chelating agent (CSP) and dialyzed water (WSPD) extracted pectins were carried out. The results demonstrated that CSP contains only AG I. On the other hand, AG I and AG II are present in WSPD, probably covalently linked to the pectic portion. Comparison with the literature indicated similarities between the cell wall polysaccharides from coffee pulp and green coffee beans.

Influence of maturation and roasting on the quality and chemical composition of new conilon coffee cultivar by chemometrics.

Coffee is one of the most consumed beverages worldwide. Espírito Santo is the largest Brazilian producer of conilon coffee, and invested in the creation of new cultivars, such as "Conquista ES8152", launched in 2019. Therefore, the present study aimed to evaluate the effects of maturation and roasting on the chemical and sensorial composition of the new conilon coffee cultivar "Conquista ES8152". The coffee was harvested containing 3 different percentages of ripe fruits: 60%, 80%, and 100%, and roasted at 3 different degrees of roasting: light, medium, and dark, to evaluate the moisture and ash content, yield of soluble extract, volatile compound profile, chlorogenic acid and caffeine content, and sensory profile. "Conquista ES8152" coffee has a moisture content between 1.38 and 2.62%; ash between 4.34 and 4.72%; and yield between 30.7 and 35.8%. Sensory scores ranged between 75 and 80 and the majority of volatile compounds belong to the pyrazine, phenol, furan, and pyrrole groups. The content of total chlorogenic acids was drastically reduced by roasting, with values between 2.40 and 9.33%, with 3-caffeoylquinic acid being the majority. Caffeine was not influenced by either maturation or roasting, with values between 2.16 and 2.41%. The volatile compounds furfural, 5-methylfurfural, and 2-ethyl-5-methylpyrazine were positively correlated with the evaluated sensory attributes and 5-methylfurfural was the only one significantly correlated with all attributes. Ethylpyrazine, furfuryl acetate, 1-furfurylpyrrole, 4-ethyl-2-methoxyphenol, and difurfuryl ether were negatively correlated. The stripping did not affect the quality and composition of this new cultivar, however, the roasting caused changes in both the chemical and sensorial profiles, appropriately indicated by the principal component analysis.

Evaluation of spontaneous fermentation impact on the physicochemical properties and sensory profile of green and roasted arabica coffee by digital technologies.

There is a growing demand for specialty coffee with more pleasant and uniform sensory perception. Wet fermentation could modulate and confer additional aroma notes to final roasted coffee brew. This study aimed to assess differences in volatile compounds and the intensities of sensory descriptors between unfermented and spontaneously fermented coffee using digital technologies. Fermented (F) and unfermented (UF) coffee samples, harvested from two Australia local farms Mountain Top Estate (T) and Kahawa Estate (K), with four roasting levels (green, light-, medium-, and dark-) were analysed using near-infrared spectrometry (NIR), and a low-cost electronic nose (e-nose) along with some ground truth measurements such as headspace/gas chromatography-mass spectrometry (HS-SPME-GC-MS), and quantitative descriptive analysis (QDA ®). Regression machine learning (ML) modelling based on artificial neural networks (ANN) was conducted to predict volatile aromatic compounds and intensity of sensory descriptors using NIR and e-nose data as inputs. Green fermented coffee had significant perception of hay aroma and flavor. Roasted fermented coffee had higher intensities of coffee liquid color, crema height and color, aftertaste, aroma and flavor of dark chocolate and roasted, and butter flavor (p < 0.05). According to GC-MS detection, volatile aromatic compounds, including methylpyrazine, 2-ethyl-5-methylpyrazine, and 2-ethyl-6-methylpyrazine, were observed to discriminate fermented and unfermented roasted coffee. The four ML models developed using the NIR absorbance values and e-nose measurements as inputs were highly accurate in predicting (i) the peak area of volatile aromatic compounds (Model 1, R = 0.98; Model 3, R = 0.87) and (ii) intensities of sensory descriptors (Model 2 and Model 4; R = 0.91), respectively. The proposed efficient, reliable, and affordable method may potentially be used in the coffee industry and smallholders in the differentiation and development of specialty coffee, as well as in process monitoring and sensory quality assurance.

The terroir of Brazilian Coffea canephora: Characterization of the chemical composition.

FTIR spectroscopy and multivariate analysis were used in the chemical study of the terroirs of Coffea canephora. Conilon coffees from Espírito Santo and Amazon robusta from Matas of Rondônia, were separated by PCA, with lipids and caffeine being the markers responsible for the separation. Coffees from Bahia, Minas Gerais, and São Paulo did not exhibit separation, indicating that the botanical variety had a greater effect on the terroir than geographic origin. Thus, the genetic factor was investigated considering the conilon and robusta botanical varieties. This last group was composed of hybrid robusta and apoatã. The DD-SIMCA favored the identification of the genetic predominance of the samples. PLS-DA had a high classification performance regarding the conilon, hybrid robusta, and apoatã genetic nature. Lipids, caffeine, chlorogenic acids, quinic acid, trigonelline, proteins, amino acids, and carbohydrates were identified as chemical markers that discriminated the genetic groups.

Clinical Evaluation of a Novel, Patented Green Coffee Bean Extract (GCB70®), Enriched in 70% Chlorogenic Acid, in Overweight Individuals.

OBJECTIVE: Obesity and overweight are challenging health problems of the millennium that lead to diabetes, hypertension, dyslipidemia, nonalcoholic fatty liver disease (NAFLD), and atherosclerosis. Green coffee bean exhibited significant promise in healthy weight management, potentiating glucose-insulin sensitization and supporting liver health. The safety and efficacy of a novel, patented water-soluble green coffee bean extract (GCB70® enriched in 70% total chlorogenic acid and <1% caffeine) was investigated in 105 participants for 12 consecutive weeks. An institutional review board and Drugs Controller General (India) (DCGI) approvals were obtained, and the study was registered at ClinicalTrials.gov. METHOD: Body weight, body mass index (BMI), waist circumference, lipid profile, plasma leptin, glycosylated hemoglobin (HbA1c), and total blood chemistry were assessed over a period of 12 weeks of treatment. Safety was affirmed. RESULTS: GCB70 (500 mg BID) supplementation significantly reduced body weight (approximately 6%; p = 0.000**) in approximately 97% of the study population. About a 5.65% statistically significant reduction (p = 0.000**) in BMI was observed in 96% of the study volunteers. Waist circumference was significantly reduced by 6.77% and 6.62% in 98% of the male and female participants, respectively. Plasma leptin levels decreased by 13.6% in 99% of the study population as compared to the baseline value. Upon completion of 12 weeks' treatment, fasting glucose levels decreased by 13.05% (p = 0.000**) in 79% of the study population. There was a statistically significant decrease in HbA1c levels in both male and female participants (p = 0.000**), while 86.7% of the study participants showed a statistically significant decrease in thyroid-stimulating hormone (TSH) levels (p = 0.000**). The mean decrease in TSH levels on completion of the treatment was 14.07% in the study population as compared to baseline levels. Total blood chemistry analysis exhibited broad-spectrum safety. CONCLUSIONS: This investigation demonstrated that GCB70 is safe and efficacious in healthy weight management.

High-speed countercurrent chromatography with offline detection by electrospray mass spectrometry and nuclear magnetic resonance detection as a tool to resolve complex mixtures: A practical approach using Coffea arabica leaf extract.

INTRODUCTION: Many secondary metabolites isolated from plants have been described in the literature owing to their important biological properties and possible pharmacological applications. However, the identification of compounds present in complex plant extracts has remained a great scientific challenge, is often laborious, and requires a long research time with high financial cost. OBJECTIVES: The aim of this study was to develop a method that allows the identification of secondary metabolites in plant extracts with a high degree of confidence in a short period of time. MATERIAL AND METHODS: In this study, an ethanolic extract of Coffea arabica leaves was used to validate the proposed method. Countercurrent chromatography was chosen as the initial step for extraction fractionation using gradient elution. Resulting fractions presented a variation of compounds concentrations, allowing for statistical total correlation spectroscopy (STOCSY) calculations between liquid chromatography coupled with high-resolution tandem mass spectrometry (LC-HRMS/MS) and NMR across fractions. RESULTS: The proposed method allowed the identification of 57 compounds. Of the annotated compounds, 20 were previously described in the literature for the species and 37 were reported for the first time. Among the inedited compounds, we identified flavonoids, alkaloids, phenolic acids, coumarins, and terpenes. CONCLUSION: The proposed method presents itself as a valid alternative for the study of complex extracts in an effective, fast, and reliable way that can be reproduced in the study of other extracts.

Proof of Concept for Cell Culture-Based Coffee.

The global coffee production is facing serious challenges including land use, climate change, and sustainability while demand is rising. Cellular agriculture is a promising alternative to produce plant-based commodities such as coffee, which are conventionally produced by farming. In this study, the complex process of drying and roasting was adapted for bioreactor-grown coffee cells to generate a coffee-like aroma and flavor. The brews resulting from different roasting regimes were characterized with chemical and sensory evaluation-based approaches and compared to conventional coffee. Roasting clearly influenced the aroma profile. In contrast to conventional coffee, the dominant odor and flavor attributes were burned sugar-like and smoky but less roasted. The intensities of bitterness and sourness were similar to those of conventional coffee. The present results demonstrate a proof of concept for a cellular agriculture approach as an alternative coffee production platform and guide future optimization work.

Evaluation of the behaviour of phenols and alkaloids in samples of roasted and ground coffee stored in different types of packaging: Implications for quality and shelf life.

The most important factor in determining coffee quality and consumer choice is the flavour. During roasting, hundreds of simultaneous chemical reactions take place that contribute to the formation of the basic flavour of the coffee drink, imparting bitterness, astringency and acidity. The main chemical compounds responsible for these qualitative sensory properties are chlorogenic acids (CQAs), hydroxycinnamic acids and alkaloids. However, during storage, roasted and ground coffee can undergo several chemical and physical reactions that alter its flavour. This study focuses on LC-DAD analysis to investigate the effects of storing commercial coffee blends in different packaging, namely standard (multilayer film with aluminium barrier) and Eco-capsules. The results show relative stability of the phenolic and alkaloid fractions, although the CQA isomers behave differently and a decrease in caffeine and caffeic acid is observed during prolonged storage under 75% relative humidity compared to 65%, especially in Eco-friendly packaging.

Using 1H low-field NMR relaxometry to detect the amounts of Robusta and Arabica varieties in coffee blends.

Low-field nuclear magnetic resonance (LF-NMR) is a method of widespread use in food research due to its non-destructive character and the relatively low cost of the instruments, allowing the determination of oil / fat contents and the achievement of images of different types of food materials, among other uses. In this work, 1H LF-NMR relaxometry was used to distinguish the contributions due to Arabica and Robusta coffee varieties present in coffee blends. As the method detects preferentially the NMR signals due to phases with high molecular mobility, which exhibit longer values of the 1H transverse relaxation time (T2), the difference in the oil contents associated with Arabica and Robusta coffee was the key factor responsible for the detection of the contributions due to each variety. The analysis presented in this work showed that the relative hydrogen index is a useful parameter to be used in quantitative analyses of the contents of each coffee variety present in the blends. The results illustrate the high potential of applicability of LF-NMR relaxometry as a screening tool for quality control and adulteration detection of coffee-related products.

Bioactive profile and microbiological safety of Coffea arabica and Coffea canephora beverages obtained by innovative cold extraction methods (cold brews).

Coffee cold brews have been gaining prominence and popularity among consumers worldwide. However, only a few studies have systematically analyzed their chemical composition or evaluated microbiological safety aspects. This study aimed to evaluate the survival of Bacillus cereus and Escherichia coli in cold brews prepared from roasted and ground Coffea arabica and C. canephora seeds using the following preparation methods: immersion without filter (INF), immersion in a cotton filter bag (ICF), vacuum (Vac.) and cold dripping (Drip.). Traditional hot dripping methods using filter paper (HDFP) and cotton filter (HDCF) were also tested for comparison. Water at 4 °C or 25 °C was intentionally contaminated (105 CFU/mL) with cells of Escherichia coli ATCC 25922 (EC) and Bacillus cereus F4433 (BC) before coffee extraction and refrigeration at 4 °C. Coffee concentrations of 5, 10, and 15% were tested. Analyses of pH, soluble solids, nine chlorogenic acids and two lactones (CGA), caffeine, trigonelline, and melanoidins were performed. Results were compared by ANOVA, followed by the Fisher's test, Pearson correlation, Variable Importance in Projection (VIP), and Cluster analyses, with a significance level of 5%. EC and BC were not detected (<10 CFU/mL and < 1 CFU/mL, respectively) after preparing C. arabica and C. canephora hot brews. In cold brews, the higher the extraction of soluble solids and bioactive compounds (with the highest occurring at 25 °C), the lower the counts of inoculated microorganisms during 24 h of storage. BC was not detected after 24 h of extraction and/or storage in the drinks obtained by ICF and Drip. at 5%, 10%, and 15% and INF and Vac. at 15%. EC was not detected in ICF and Drip. at 10 and 15%, and in INF at 15%. C. canephora brews exhibited higher levels of soluble solids, CGA, caffeine, and melanoidins than C. arabica brews. Based on these results, it can be concluded that in the absence of thermal processing as in hot brews, more concentrated cold brews, such as 15%, produced at 25 °C by dripping and immersion methods, are preferable for later dilution due to the higher content of soluble solids and bioactive compounds that contribute reducing the number of microorganisms in the beverage.

Influence of Post-Harvest Processing on Functional Properties of Coffee (Coffea arabica L.).

Coffee is one of the most popular beverages worldwide, valued for its sensory properties as well as for its psychoactive effects that are associated with caffeine content. Nevertheless, coffee also contains antioxidant substances. Therefore, it can be considered a functional beverage. The aim of this study is to evaluate the influence of four selected post-harvest coffee fruit treatments (natural, full washed, washed-extended fermentation, and anaerobic) on the antioxidant and psychoactive properties of Arabica coffee. Additionally, the impact of coffee processing on the selected quality parameters was checked. For this purpose, results for caffeine content, total phenolic content (TPC), DPPH assay, pH, titratable acidity, and water content were determined. The results show that natural and anaerobic processing allow the highest caffeine concentration to be retained. The selection of the processing method does not have a significant influence on the TPC or antiradical activity of coffee. The identified differences concerning water content and pH along with lack of significant discrepancies in titratable acidity may have an influence on the sensory profile of coffee.

Enhancing Bioactivity and Conjugation in Green Coffee Bean (Coffea arabica) Extract through Cold Plasma Treatment: Insights into Antioxidant Activity and Phenolic-Protein Conjugates.

Cold plasma technology is gaining attention as a promising approach to enhancing the bioactivity of plant extracts. However, its impact on green coffee bean extracts (GCBEs) still needs to be explored. In this study, an innovative underwater plasma jet system was employed to investigate the effects of cold plasma on Coffea arabica GCBEs, focusing on the conjugation reflected by the change in composition and bioactivity. The DPPH radical scavenging antioxidant activity exhibited a gradual increase with plasma treatment up to 35 min, followed by a decline. Remarkably, at 35 min, the plasma treatment resulted in a significant 66% increase in the DPPH radical scavenging activity of the GCBE. The total phenolic compound content also displayed a similar increasing trend to the DPPH radical scavenging activity. However, the phenolic profile analysis indicated a significant decrease in chlorogenic acids and caffeine. Furthermore, the chemical composition analysis revealed a decrease in free amino acids, while sucrose remained unchanged. Additionally, the SDS-PAGE results suggested a slight increase in protein size. The observed enhancement in antioxidant activity, despite the reduction in the two major antioxidants in the GCBE, along with the increase in protein size, might suggest the occurrence of conjugation processes induced by plasma, particularly involving proteins and phenolic compounds. Notably, the plasma treatment exhibited no adverse effects on the extract's safety, as confirmed by the MTT assay. These findings indicate that cold plasma treatment holds significant promise in improving the functional properties of GCBE while ensuring its safety. Incorporating cold plasma technology into the processing of natural extracts may offer exciting opportunities for developing novel and potent antioxidant-rich products.

Identification of potential quality markers in Indonesia's Arabica specialty coffee using GC/MS-based metabolomics approach.

INTRODUCTION: The cupping test is a widely used method for quality assessment of Arabica coffee. However, the cupping test is limited by the low number of certified panelists and the low throughput. Therefore, an analytical-based quality assessment may be a promising tool to complement the cupping test. A present, there is no report investigating quality marker candidates, focusing only on "specialty" grade Arabica coffee from Indonesia. OBJECTIVE: This study identified the potential quality marker(s) in Arabica Specialty coffee at different stages (green beans, roasted beans, and brewed coffee. METHODS: The metabolite profiles of ten different Arabica specialty-grade coffees were analyzed with different cup scores using gas chromatography-mass spectrometry (GC/MS). From the ten samples, green coffee beans, roasted coffee beans, and brewed coffee were selected. In addition, an orthogonal projection to latent structure (OPLS) regression analysis was conducted to obtain a potential quality marker based on the variable importance in projection (VIP). The potential quality marker(s) were validated by GC/MS metabolome profiling and OPLS analysis of different sets of samples consisting of 35 Arabica specialty-grade coffee samples. RESULTS: In Arabica coffee samples, the OPLS model of the three stages showed galactinol to have a high VIP score. Galactinol showed a consistent positive correlation with cup scores at all stages of coffee production (green beans, roasted beans, and brewed coffee). The correlation suggests galactinol is a potential quality marker after further validation using different samples. CONCLUSION: GC/MS combined with OPLS regression analysis suggested galactinol as a quality marker and provide an early screening method for Arabica coffee quality that complements the cupping test performed by certified panelists.

Antioxidant and phytometabolite profiles of ethanolic extract from the cascara pulp of Coffea arabica collected from Gayo Highland: A study for potential anti-photoaging agent.

Background: As the most abundant coffee by-product, cascara pulp has been considered a good source of antioxidants which could be used to prevent photoaging. The aim of this study was to determine the phytometabolite profiles, antioxidant and photoaging properties of the ethanolic extract of Coffea arabica cascara pulp. Methods: Ethanolic maceration was performed on the fine powder of C. arabica cascara pulp collected from Gayo Highland, Aceh Province, Indonesia. The filtrate obtained was evaluated for its 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging activity, total phenolic content (TPC), and total flavonoid content (TFC). The phytometabolite profiling was conducted qualitatively using reagents and quantitatively using gas chromatography-mass spectroscopy (GC-MS). The potential of the cascara pulp phytometabolites in inhibiting activator protein-1 (AP-1) was evaluated through molecular docking. Results: The extract had TPC and TFC of 2.04 mg gallic acid equivalent/g extract and 91.81 mg quercetin equivalent/g extract, respectively. The half-maximal inhibitory concentration (IC 50) for the DPPH inhibition reached as low as 9.59 mg/L. Qualitative phytocompound screening revealed the presence of alkaloids, saponins, tannins, flavonoids, steroids, quinones, polyphenols, and triterpenoids. GC-MS revealed the extract containing 5-hydroxy-methylfurfural (22.31%); 2,5-dimethyl-4-hydroxy-3(2H)-furanone (0.74%); and caffeine (21.07%), which could form interaction with AP-1 with binding energies of -172.8, -150.8, and -63.188 kJ/mol, respectively. Conclusion: Ethanolic extract from C. arabica cascara pulp potentially have anti-photoaging properties which is worthy for further investigations in the future.

LC-MS methods combination for identification and quantification of trans-sinapoylquinic acid regioisomers in green coffee.

The present study aims to both identify and quantify trans-sinapoylquinic acid (SiQA) regioisomers in green coffee by combined UHPLC-ESI-QqTOF-MS/MS and UHPLC-ESI-QqQ-MS/MS methods. Among the various mono-acyl chlorogenic acids found in green coffee, SiQA regioisomers are the least studied despite having been indicated as unique phytochemical markers of Coffea canephora (known as Robusta). The lack of commercially available authentic standards has been bypassed by resorting to the advantages offered by high-resolution LC-MS as far as the identification is concerned. SiQA regioisomers have been identified in several samples of Robusta and Coffea arabica (known as Arabica) commercial lots from different geographical origin and, for the first time, in different samples of coffee wild species (Coffea liberica and Coffea pseudozanguebariae). Quantification (total SiQA ranging from 3 to 5 mg/100 g) let to reconsider these chlorogenic acids as unique phytochemical markers of Robusta being present in the same quantity and distribution in C. liberica as well. Gardeniae Fructus samples (fruits of Gardenia jasminoides) have additionally been characterized as this matrix is recognized as one of the few naturally occurring SiQA sources. The SiQA regioisomer content (total SiQA about 80 mg/100 mg) fully supports the proposal to use this matrix as a surrogate standard for further studies.