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Polycyclic aromatic hydrocarbons (PAHs) are commonly found in various environmental matrices and have received significant attention due to their toxic effects on ecosystems and environmental health. In this study, a specific magnetic composite material derived from MXene, known as phenyl-functionalized NiFe 2 O 4 @Ti 3 C 2 T X , was designed and synthesized using a simple method. This composite material was used to develop an effective magnetic solid-phase extraction (MSPE) method for enriching trace polycyclic aromatic hydrocarbons (PAHs) in tea and coffee samples. The eluted PAHs were analyzed via gas chromatography–tandem mass spectrometry. Under optimal conditions, this method exhibited excellent linear relationships for 16 PAHs within the ranges of 0.001–25 and 0.0005–25 μg/L, with correlation coefficients exceeding 0.9979. The limits of detection for the target PAHs ranged from 0.1 to 0.3 ng/L. The effectiveness of the proposed method was evaluated by analyzing tea and coffee samples, and the satisfactory spiked recoveries of PAHs ranged from 84.5% to 112.6%. [Display omitted] • Phenyl functionalized NiFe 2 O 4 @Ti 3 C 2 T X nanocomposites were fabricated. • Phenyl functionalized NiFe 2 O 4 @Ti 3 C 2 T X exhibited good adsorption for target analytes. • Adsorption of targets followed pseudo-second-order kinetic and Langmuir isotherm model. • The proposed method provided high sensitivity for polycyclic aromatic hydrocarbons. [ABSTRACT FROM AUTHOR]

Coffee, a globally consumed beverage, has raised concerns in Islamic jurisprudence due to the possible presence of alcohol compounds. This research aims to utilise the sensitivity and reliability of 1H NMR spectroscopy in the quantification of alcohol compounds such as ethanol, furfuryl alcohol, and 5-(hydroxymethyl) furfural (HMF) in commercial instant coffee. Analysis of seven products was performed using advanced 1H Nuclear Magnetic Resonance (NMR) spectroscopy together with Statistical Total Correlation Spectroscopy (STOCSY) and Resolution-Enhanced (RED)-STORM. The analysis of the 100 mg sample revealed the absence of ethanol. The amount of furfuryl alcohol and HMF in the selected commercial instant coffee samples was 0.817 μg and 0.0553 μg, respectively. This study demonstrates the utility of 1H NMR spectroscopy in accurate quantification of trace components for various applications. • Islamic Guidelines on Alcohol: Aligning commercial coffee with Islamic principles. • NMR Efficacy: Cutting-edge 1H NMR detects trace alcohol in commercial instant coffee. • Misconceptions Clarified: Differentiating between alcohol and 'khamr' in Islamic law. • Global Significance: Addressing questions on coffee components within the Islamic paradigm. Scientific Validation: Robust study validates 1H NMR as an analytical tool. [ABSTRACT FROM AUTHOR]

The characteristic flavor of Coffea arabica from Yunnan is largely attributed to the primary processing treatments through affecting the VOCs accumulation. Therefore, a rapid and comprehensive detection technique is needed to accurately recognize VOCs in green coffee beans with different pretreatment methods. Hence, we conducted volatile profiles and identified nine markers of three different primary processed green coffee beans from the major production areas in Yunnan with the combined of HS-SPME-GC-MS and PTR-TOF-MS. The relationships between the chemical composition and the content of VOCs in green coffee beans were elucidated. Among the markers, palmitic acid (F3), linoleic acid (F6), α -ethylidene phenylacetaldehyde (T4), and phytane (T8) contributed to the antioxidant activity of sun-exposed green coffee beans. In conclusion, the analytical technology presented here provided a general tool for an overall and rapid understanding of a detailed volatile profiles of green coffee beans in Yunnan. • Characterizing chemical classes in different primary processed green coffee beans. • Identified nine markers in different processed green coffee beans from three origins. • Confirmed the viability of rapid recognition of markers in green coffee beans. • Possible contributors of antioxidant activity were found in VOCs and markers. [ABSTRACT FROM AUTHOR]

Even if the acids composition and their role in coffee still need to be clarified, acidity is one of the main sought-after features in coffee and it is becoming one of the main quality markers. Hence, the aim of this paper was to evaluate the main parameters influencing coffee acidity with a focus on carboxylic acids. To the best of our knowledge, this is the first study regarding filter coffee prepared from specialty and mainstream coffee, differently roasted and through eight diverse extraction methods. Coffee cup chemical composition in terms of organic and chlorogenic acids, caffein and physicochemical parameters were correlated with perceived sourness and mouthfeel to better understand the influence of extracted compounds on the final beverage acidity. Statistical tools revealed that a major impact of chlorogenic acids emerged in pH and titratable acidity, while the sensorial sourness appeared more correlated with organic acids concentration. Thus, these findings suggests that organic acids could be potential predictors of beverage perceived acidity. • The highest organic acids level was found in Ibrik coffee beverage. • Brewing pressure and temperature influence the extraction of organic acids. • In specialty coffee pH and titratable acidity are influenced by CQAs. • In mainstream coffee the CQAs mainly impact the perceived sourness. • Organic acids concentration can predict perceived acidity in specialty coffee. [ABSTRACT FROM AUTHOR]

In the coffee industry, the use of natural coffee extracts with differentiated attributes is desirable to drive new product development. This study evaluates the impact of ultrafiltration membrane processing on the sensory, metabolic, and physicochemical attributes of four commercially available coffee extracts: cold brew, lightly roasted, freeze concentrated and evaporated standard. The sensory analysis revealed an increase in acidity in the permeate across all extracts, with the most significant profile changes observed in the lightly roasted evaporated and evaporated extracts, accompanied by an enhancement of fruity and floral attributes. Furthermore, the permeate showed reduced total dissolved solids, while the caffeine concentration increased. Metabolomic analysis highlighted key coffee-related metabolites like cinnamic and coumaric acids, explaining observed variations due to their passage through the membrane. Our findings emphasize the potential of permeate as a coffee-based ingredient for ready-to-drink products development, providing a unique coffee experience with organoleptic profiles distinct from traditional beverages. [Display omitted] • UF process improves sensory and metabolic characteristics of coffee extracts. • 75 metabolites and 42 sensory attributes were altered between feed and permeate. • Permeate holds potential as an ingredient for developing ready-to-drink products. [ABSTRACT FROM AUTHOR]

Coffee is the most consumed beverage in the world. Consumption of phenolic compounds present in coffee protects the body against oxidative stress generation, inflammatory response, and cancer development. The aim of the study was evaluation of biological activity of coffee extracts (obtained from green, as well as light and dark roasted Robusta and Arabica beans) and isolated fractions on human colon adenocarcinoma Caco-2 cells, which are used as a cellular model of intestinal barrier in bioavailability studies. Additionally, impact of coffee phenolics on oxidative stress level and anti-inflammatory activity has been studied with RAW 264.7 macrophages used in immunomodulatory research. It was demonstrated that the coffee constituents protection against oxidative stress, lipotoxicity and secretion of proinflammatory mediators is correlated with the presence of mono- and dichlorogenic acids and roasting process. It was demonstrated that coffee phytochemicals can decrease cells proliferation and bind to topoisomerase IIα being a dietary tool in cancer prevention. • The coffee preparations at concentration 50 μg/mL were not cytotoxic. • The green coffee extract reduced intracellular ROS levels by 10–20%. • The coffee preparations decreased membrane lipid peroxidation by ca. 10%. • The caffeic acid esters had impact on proinflammatory mediators secretion. • The coffee constituents were identified as potential topoisomerase IIα inhibitors. [ABSTRACT FROM AUTHOR]

Recently some major safety concerns have been raised on organic contaminants in widely consumed plants such as coffee. Hence, this study aimed to develop specifically optimized methods for determining organic contaminants, such as pesticides and polychlorinated biphenyls (PCBs), in coffee using GC–MS/MS and LC-MS/MS. QuEChERS method was used as a base extraction method, and 27 experiments were studied using design of experiments with categorical variables (extraction buffers, cleanup sorbents, and coffee roasting degree) to find the optimum method for each matrix type. The optimum method for green coffee was acetate buffer and chitosan for clean-up, while no-buffer extraction and the PSA + C18 method were ideal for light and dark-roasted coffee. The optimized methods were validated in accordance with SANTE/11312/2021. Furthermore, ten real samples (4 green, and 6 roasted) from the markets were analysed; ortho-phenylphenol was found in all the roasted coffee samples, and carbendazim was found in one green coffee sample. [Display omitted] • Two effective methods for determining organic contaminants in coffee have been developed. • Optimum extraction buffer salts and cleanup sorbents differed between green and roasted coffee. • Chitosan proved to be an effective eco-friendly cleanup sorbent for green coffee. • The methods were validated according to SANTE/11312/2021 guidelines. • Ten real samples were taken from markets and analysed. [ABSTRACT FROM AUTHOR]

[Display omitted] • Arabica-specific bitter tastant mozambioside degrades during coffee roasting. • Previously unknown pyrolysis products with higher bitter intensity are generated. • The structures of the new compounds are elucidated by NMR and HR-MS. • The new compounds are potent agonists for TAS2R43 and TAS2R46 (HEK 293T-Gα16gust44). • Molecular Docking simulations reveal their orientation within the bitter receptor. Arabica coffee contains the bitter-tasting diterpene glycoside mozambioside , which degrades during coffee roasting, leading to yet unknown structurally related degradation products with possibly similar bitter-receptor-activating properties. The study aimed at the generation, isolation, and structure elucidation of individual pyrolysis products of mozambioside and characterization of bitter receptor activation by in vitro analysis in HEK 293T-Gα16gust44 cells. The new compounds 17- O - β - d -glucosyl-11-hydroxycafestol-2-on, 11- O - β - d -glucosyl-16-desoxycafestol-2-on, 11- O -β- d -glucosyl- (S) -16-desoxy-17-oxocafestol-2-on, 11- O - β - d -glucosyl-15,16-dehydrocafestol-2-on, and 11- O - β - d -glucosyl- (R) -16-desoxy-17-oxocafestol-2-on were isolated from pyrolyzed mozambioside by HPLC and identified by NMR and UHPLC-ToF-MS. Roasting products 11- O -β- d -glucosyl- (S) -16-desoxy-17-oxocafestol-2-on, 11- O - β - d -glucosyl-15,16-dehydrocafestol-2-on, and 11- O - β - d -glucosyl- (R) -16-desoxy-17-oxocafestol-2-on had lower bitter receptor activation thresholds compared to mozambioside. Molecular docking simulations revealed the binding modes of the compounds 11- O - β - d -glucosyl-15,16-dehydrocafestol-2-on and 11- O - β - d -glucosyl- (R) -16-desoxy-17-oxocafestol-2-on and their aglycone 11-hydroxycafestol-2-on in the two cognate receptors TAS2R43 and TAS2R46. The newly discovered roasting products 17- O - β - d -glucosyl-11-hydroxycafestol-2-on, 11- O -β- d -glucosyl- (S) -16-desoxy-17-oxocafestol-2-on, 11- O - β - d -glucosyl-15,16-dehydrocafestol-2-on, and 11- O - β - d -glucosyl- (R) -16-desoxy-17-oxocafestol-2-on were detected in authentic roast coffee brew by UHPLC-ToF-MS and could contribute to coffee's bitter taste impression. [ABSTRACT FROM AUTHOR]

• Fermentation with sequential inoculation influence the sensorial perception of coffee. • Coffee fermentation with sequential inoculation increase acidity of the beverage. • The time of coffee fermentation influences the chemical composition. This study has innovative aspects related to the use of sequential inoculation technique in the coffee bean fermentation process: the inoculation of Lactiplantibacillus plantarum followed by Saccharomyces cerevisiae , in the fermentation of coffee fruit for the production of specialty natural coffees. The objective was to evaluate the effect of this technique and of the total fermentation time on the sensory attributes of the coffee beverage and on the organic acid profile, bioactive compounds, and fatty acid profile of the beans. The fermentation of coffee fruit with sequential inoculation resulted in greater acidity of the beverage and contributed to increases of up to 2 points in coffee fermented. The total fermentation time was directly related to the organic acid content, and the longer the total fermentation time was, the greater the organic acid content. The fatty acid content and bioactive compound content showed little variation among treatments. [ABSTRACT FROM AUTHOR]

• Directly analyze coffee aroma by SACDI-MS with no pretreatment. • Developing an ACSD module to improve the detection throughput to 1 s/sample. • Construct a deep learning algorithm to process the MS data for origin identification. • The strategy enables non-destructive, accurate, and high-throughput assay. Mislabeling the geographical origin of coffee is a prevalent form of fraud. In this study, a rapid, nondestructive, and high-throughput method combining mass spectrometry (MS) analysis and intelligence algorithms to classify coffee origin was developed. Specifically, volatile compounds in coffee aroma were detected using self-aspiration corona discharge ionization mass spectrometry (SACDI–MS), and the acquired MS data were processed using a customized deep learning algorithm to perform origin authentication automatically. To facilitate high-throughput analysis, an air curtain sampling device was designed and coupled with SACDI–MS to prevent volatile mixing and signal overlap. An accuracy of 99.78% was achieved in the classification of coffee samples from six origins at a throughput of 1 s per sample. The proposed approach may be effective in preventing coffee fraud owing to its straightforward operation, rapidity, and high accuracy and thus benefit consumers. [ABSTRACT FROM AUTHOR]

[Display omitted] • Coffee leaf ethyl acetate extract (EAC) exhibited the most pronounced pancreatic lipase inhibitory activity. • Coffee leaf EAC fraction inhibited pancreatic lipase in a reversible and competitive manner. • Coffee leaf EAC fraction decreased the α-helix and increased β-sheet and β-turn structures of pancreatic lipase. • Catechin derivatives play a key role in the inhibitory activity against pancreatic lipase. • Bioactives in EAC bind to amino acid residues located within the active site of pancreatic lipase. The suppression of pancreatic lipase has been employed to mitigate obesity. This study explored the mechanism of coffee leaf extracts to inhibit pancreatic lipase. The ethyl acetate fraction derived from coffee leaves (EAC) exhibited the highest inhibitory capacity with a half-maximal inhibitory concentration (IC 50) of 0.469 mg/mL and an inhibitor constant (K i) of 0.185 mg/mL. This fraction was enriched with 3,5-dicaffeoylquinic acid (3,5-diCQA, 146.50 mg/g), epicatechin (87.51 mg/g), and isoquercetin (48.29 mg/g). EAC inhibited lipase in a reversible and competitive manner, and quenched its intrinsic fluorescence through a static mechanism. Molecular docking revealed that bioactive compounds in EAC bind to key amino acid residues (HIS-263, PHE-77, and SER-152) located within the active cavity of lipase. Catechin derivatives play a key role in the lipase inhibitory activity within EAC. Overall, our findings highlight the promising potential of coffee leaf extract as a functional ingredient for alleviating obesity through inhibition of lipase. [ABSTRACT FROM AUTHOR]

• Adulteration of specialty coffees with low-quality ones resulting in illegal profit. • Identify adulterations in specialty coffees using multielement analysis by ICP-MS. • Evaluate the performance of one-class classifiers: dd -SIMCA, OCRF, and OCPLS. • OCRF and OCPLS models exhibited good sensitivity, specificity, and reliability rates. • This study is a pioneer using ICP-MS combined with those one-class methods. Due to the lucrative nature of specialty coffees, there have been instances of adulteration where low-cost materials are mixed in to increase the overall volume, resulting in illegal profit. A widely used and recommended approach to detect possible adulteration is the application of one-class classifiers (OCC), which only require information about the target class to build the models. Thus, this work aimed to identify adulterations in specialty coffees with low-quality coffee using multielement analysis determined by ICP-MS and to evaluate the performance of one-class classifiers (dd -SIMCA, OCRF, and OCPLS). Therefore, authentic specialty coffee samples were adulterated with low-quality coffee in 25 % to 75 % (w/w) proportions. Samples were subjected to acid decomposition for analysis by ICP-MS. OCPLS method presented the best performance to detect adulterations with low-quality coffee in specialty coffees, showing higher specificity (SPE = 100 %) and reliability rate (RLR = 94.3 %). [ABSTRACT FROM AUTHOR]

• Roasting resulted in a small negative shift of δ11B values in coffee beans. • Mechanism of boron isotope fractionation during roasting was studied. • Boron isotope fractionation occurs in capillary water of coffee beans. • δ11B values of roasted coffee can be used as a marker of coffee origin. We determined δ11B values of green and roasted coffee beans from 20 locations worldwide and conducted laboratory experiments with the aim to investigate boron isotope fractionation during roasting. Authentic single origin roasted coffees were found to be isotopically lighter than their green bean counterparts, with an average difference of 1.5‰. This isotope fractionation can be explained as arising from partial dissociation of boric acid in capillary water of green beans, where 11B isotopes are preferentially partitioned into molecules of undissociated boric acid and are then volatised during roasting. However, boron isotope fractionation induced by roasting was significantly smaller than between-origin variations in δ11B values of green coffee beans that had the range of ∼54‰. This implies that δ11B isotopic composition of roasted coffee retains the geographical origin information within δ11B values of green beans when regional differences in boron isotopic composition of coffee are considered. [ABSTRACT FROM AUTHOR]

• A QuEChERS method for GC-amenable pesticides in roasted coffee, green tea and curry. • Validation according to EU SANTE guidelines; applicability tested in further matrices. • Validation successful for 85–61 % compounds depending on the matrix (100 µg/kg) • Cost-effective method optimized for its application in routine laboratories. • Standard addition allows accurate quantification without matrix matched calibration. An analytical method for determination of GC-amenable pesticides in complex matrices, was validated based on QuEChERS sample preparation and gas chromatography tandem mass spectrometry. Performance of the method was tested according to the EU SANTE guidelines for 172 pesticides belonging to different chemical classes, in three representative complex matrices. Three concentration levels were tested in order to establish the lowest limit of quantification possible. For some matrix/pesticide combination, careful selection of the quantification/confirmation transitions was key to avoid interferences. Accurate quantification was achieved by standard addition. The number of compounds fulfilling EU SANTE criteria at 10 µg/kg and 100 µg/kg were 93 and 148 for roasted coffee, 93 and 112 for green tea and 98 and 111 for curry respectively. The method was further evaluated in different matrices (chili, clove, cumin, paprika and rosemary) with 50–90 % of the compounds fulfilling the validation criteria depending on the matrix. [ABSTRACT FROM AUTHOR]

• Effect of decaffeination (DC) on the flavors of coffee beans was investigated. • DC green beans had higher trigonelline and lower chlorogenic acid. • The DC may result in flavor differences such as pyrazine deficiency. • 3-Ethyl-2,5-dimethyl pyrazine had 58% lower in DC coffee. This study investigated the effect of various roasting conditions on regular and decaffeinated green beans. Regular and decaffeinated green beans from Guatemala, Brazil, Ethiopia, and Colombia were prepared under light, medium, and dark roasting conditions. Analysis of the decaffeination-induced changes in nonvolatile compounds revealed that decaffeinated green coffee beans had significantly lower concentrations of trigonelline (25%) and total carbohydrates (16%) but a higher chlorogenic acid content (10–14%) than regular green coffee beans (both p < 0.05). Flavor differences between regular and decaffeinated coffee were investigated by analysis of the volatile and nonvolatile compounds in roasted coffee beans. From the odor impact ratio values, 3-ethyl-2,5-dimethyl pyrazine, 5-methyl furfural, and guaiacol were primarily responsible for coffee flavor. 3-Ethyl-2,5-dimethyl pyrazine had 58% lower concentration in decaffeinated coffee than in regular coffee. This study is valuable in providing the chemical composition of decaffeinated coffee and way to improve the quality of decaffeinated coffee. [ABSTRACT FROM AUTHOR]

• NMR & PCA-LDA to determine geographic origin/cultivation method of roasted coffees. • Classification according to the continents and the countries Brazil and Ethiopia. • Classification of organically and conventionally produced coffee samples. • Cost-effective samples preparation using non-deuterated water for extraction. • Internal and external validation confirmed high prediction accuracy. A comprehensive study of 603 roasted arabica coffee samples using NMR fingerprinting and multivariate data analysis was performed to differentiate coffee samples according to their geographical origin and cultivation method. Both lipophilic and hydrophilic coffee metabolites were recorded using 1H NMR spectroscopy, and principal component analysis followed by linear discriminant analysis (PCA-LDA) was applied. Coffee samples were fist differentiated according to their continents of origin followed by discrimination of coffee samples from Brazil, Ethiopia, and Colombia from coffee samples originating from another continent. Discrimination of coffee samples according to their continent of origin and additional assignment to the countries Brazil and Ethiopia were successful. However, an unambiguous separation of Colombian coffee samples from coffee samples of another continent (other than South America) was not possible. Also, differentiation of organically and conventionally produced coffee samples by using 1H NMR and PCA-LDA was not achieved. [ABSTRACT FROM AUTHOR]

[Display omitted] • Fe-CQDs were synthesized with coffee grounds as precursor via a simple and eco-friendly method. • Fe-CQDs displayed excellent peroxidase-mimetic activity. • Fe-CQDs could be acted as a dual-mode sensor for AA determination with high selectivity and sensitivity. In this study, we reported the eco-responsible synthesis of iron-doped carbon quantum dots (Fe-CQDs) from waste coffee grounds through a simple hydrothermal method. The Fe-CQDs exhibited high peroxidase-like activity, which could convert 3,3′,5,5′-tetramethylbenzidine (TMB) into blue ox-TMB in the presence of H 2 O 2. After adding ascorbic acid (AA) to above system, the blue solution faded. Based on this phenomenon, a colorimetric method for visual monitoring of H 2 O 2 and AA was developed. Meanwhile, the fluorescence of Fe-CQDs can be quenched by the formed ox-TMB via inner filter effect (IFE), followed by the recovery upon the addition of AA. Therefore, Fe-CQDs can be acted as a fluorescent probe to detect H 2 O 2 and AA through the "on–off-on" mode. Furthermore, the dual-recognition methods based on Fe-CQDs were used to measure AA content in beverage samples. Thus, this work would shed much light on converting waste into biomass CQDs and their potential applications in biomolecular detection. [ABSTRACT FROM AUTHOR]

• Pulped natural coffee is one of the emerging techniques for coffee processing. • 1H NMR profiling identified and quantified the metabolites in the pulped natural coffee. • Pipecolate and 3-hydroxy-3-methyglutarate have been observed in coffee as markers. • Pulped natural coffee represented pleasant, sweet, chocolaty flavors to coffee. The pulped natural/honey coffee (HC) of Coffea canephora (Robusta) is an innovative modified semi-dry technique. Studies have focused on HC and washed coffee (WC) fermentation, microbial metabolites, quality of green and roasted, using 1H NMR, GC–MS, and sensory investigation. Pipecolate and 3-hydroxy-3-methyglutarate have been identified for the first time. Principal Component Analysis (PCA) variability of the roasted beans, with PC 1 depicting 87.4 % and 12.6 % PC 2 respectively highlights the impact of major sugars and secondary metabolites acquired through HC. The HC fermentation (192 h) influenced carbohydrates, organic acids, and secondary metabolites besides flavor precursors compared to WC (72 h). Although HC and WC beans share similar physical qualities, enhanced volatile compounds, enriched concentration, organoleptics with pleasant, sweet, tea rose and chocolaty flavors attributes were embodied in HC than WC. The pulped natural post-harvest technique in robusta is a value addition with quality that can fetch a better premium. [ABSTRACT FROM AUTHOR]

The improvement and regulation of catalytic performance of nanozyme have long been pursued with sustained efforts. Herein, gold nanoparticles (S-CDs/AuNPs) with weak peroxidase-like (POD) activity were synthesized by Au-S bond using a sulfur doped carbon dots (S-CDs) as reducing agent and stabilizer. However, methylmercury (MeHg + ) could selectively and sensitively regulate the POD-like activity of S-CDs/AuNPs. The catalytic activity of S-CDs/AuNPs was significantly activated with the addition of MeHg + , resulting in a significant enhancement of electromagnetic fields to present an obvious SERS signal. More intriguingly, the introduction of ochratoxin A (OTA) could simultaneously turn off the UV-vis absorbance signals and the surface-enhanced Raman scattering (SERS) signal. Based on these findings, a selective colorimetric-SERS dual-mode OTA detection strategy was established with gold amalgamation (Au@HgNPs) as the probe, and the low limit of detection (LOD) of OTA was 0.29 µgL -1 (Colorimetric) and 0.16 µgL -1 (SERS), respectively, with good recoveries from 95.9 to 104.0% (Colorimetric) and from 96.7 to 108.9% (SERS), respectively. The work paves a new way to design nanozyme-based colorimetric and SERS protocol for traces OTA residues analysis in foodstuff analysis., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Ltd. All rights reserved.)

Herein, new pre-column derivatization based on dansylation is present to resolve analytical difficulties, such as chromatographic separation difficulty, in identifying and quantifying advanced glycation end products (AGEs) owing to their high hydrophilicity, wide variety, and structural similarity. The proposed analytical method facilitated the separation of 14 AGEs, including structural isomers. Limits of detection of 1.0-43.3 ng/mL and linear ranges of the double- or triple-digit were achieved. Intra- and inter-day precisions of 1.1-3.0% and 1.3-3.1%, respectively, were achieved for standard solutions, while those for food specimens were 1.4-11.2% and 1.7-15.7%, respectively. The matrix effect was insignificant with regard to the percent recoveries and differences between slopes for both the standard solutions and food specimens. Furthermore, the quantitation results of AGEs in foods (coffee, beer, and sausage) and glycated proteins revealed the potential applicability of the developed method in various fields of food chemistry and biochemistry., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 The Author(s). Published by Elsevier Ltd.. All rights reserved.)

The quality parameters of cappuccinos prepared with pasteurized milk or ultra-high-temperature milk steam-injected at different temperatures by a professional coffee machine have been assessed. In particular, the protein profile, the content of vitamins and lactose, the lipid peroxidation process, and the involvement of milk proteins in the foam formation were evaluated. The nutritional quality of milk seems not affected by the steam injection treatment carried out at a temperature of 60-65 °C, but at higher temperatures a decrement of lactoperoxidase, vitamin B6 and folic acid was observed. The milk used in cappuccino preparation is very important: pasteurized milk can form a more consistent and lasting foam with respect to ultra-high-temperature milk because of the presence of β-lactoglobulin and lactoferrin, both playing an important role in the foam formation and stability. This work would provide additional information to the coffee industry for the preparation of high nutritional and organoleptic quality cappuccinos., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Ltd. All rights reserved.)

• Surface active nature of coffee oil has been evaluated with the help of surface tension analysis. • 1H NMR spectra of coffee oil showed the presence of n- hexane in the lipophilic region and chlorogenic acid in the hydrophilic region. • Molecular assembly of hydrophilic and lipophilic components present in the coffee solution was explained. • Coffee oil can be used as a natural surfactant over commercially available surfactants. Coffee oil is known to be food and therapeutic supplement, both. However, the surface active nature of the oil has not yet been investigated. The present research explored the surface active components in coffee oil, and those responsible for stability of microbubbles at the air–water interface, facilitating its surfactant behavior. The oil's performance was examined through surface tension analysis, foam formation, coalescence rate and foam characteristics (using coffee as a model beverage for foam characterization). These observations confirmed the suitability of coffee oil as a natural substitute for Tween series of surfactants. The 1H NMR and LC-MS/MS assessments revealed trigonelline, caffeic acid, caffeine, feruloyl quinic acid, di-caffeoyl quinic acid, quinic acid, coumaroyl quinic acid as polar constitutes in coffee oil. These constituents help in formation of the self-assembly (chlorogenic acid – hydrophilic head, hydrocarbon – hydrophobic tail), ultimately forming micelle in coffee. Coffee oil also aided maintenance of a well sustained foam in coffee, similar to other synthetic surfactants. [ABSTRACT FROM AUTHOR]

• Highly sensitive SFC/MS/MS determination method for acrylamide is developed. • The sensitivity of SFC/MS/MS is 11-times higher than that of UHPLC/MS/MS. • The method can quantify low concentrations of acrylamide in beverages. • The improved sensitivity enables high-throughput pretreatment. • The simple sample preparation method led to the reduction of data acquisition time. Acrylamide (AA) analysis is an important topic in food safety. However, it is difficult to rapidly and accurately analyze low concentrations of AA with currently available methods. In the present study, we introduce a highly sensitive method that enables the determination of AA in beverages, grains, and confectioneries by supercritical fluid chromatography tandem mass spectrometry (SFC/MS/MS). The sensitivity of the SFC/MS/MS technique is 11-times higher than that obtained by ultra-high performance liquid chromatography tandem mass spectrometry. We demonstrated that the highly sensitive SFC/MS/MS method was able to quantify low concentrations of AA in beverages (i.e., roasted barley tea and coffee) extracts at less than 10 µg kg−1 level without solid-phase purification. Furthermore, the simplification of the sample preparation procedure provided an improvement in data acquisition time (60 samples per 12 h). In conclusion, the developed analytical system is a potentially useful tool for practical AA determination. [ABSTRACT FROM AUTHOR]

• Lower brew global scores were linked to high caffeine, protein and CGA contents. • High sucrose/acid and cafestol/kahweol ratios in the bean indicate high-quality brew. • High cafestol content in the bean was also associated with high brew global score. This research aimed to correlate the composition of green Arabica coffee beans with the sensory quality coffee brews. The chemical composition of green Arabica coffee bean (66 samples) from three coffee quality contests was analyzed by near-infrared spectroscopy. Coffee brews with lower quality scores were correlated with high levels of caffeine, protein, chlorogenic acids and total titratable acidity (TTA) in the green coffee beans. High sucrose/TTA and cafestol/kahweol ratios in the green coffee beans were usually associated with higher scores for the coffee brews. By multivariate analysis techniques, the samples were separated into groups according to production years indicating a strong influence of the environmental conditions on the chemical composition. The profile of the composition of the crude coffee can be indicative of the sensory quality of the coffee brews, relevant information for producers and industry since the green beans are the material used for trading and purchasing coffee. [ABSTRACT FROM AUTHOR]

Highlights • Effect of heat pump, tray and sun drying on quality of Arabica coffee was evaluated. • Drying process had a greater effect on sucrose content than caffeine and amino acid profiles. • Perceived (sensory) aromas of brewed coffees produced by sun and heat pump drying did not differ. • Volatile profiles were similar among brewed coffees produced by heat pump, tray and sun drying. • 2-Furfurylthiol did not differ between brewed coffees produced by sun and heat pump (50 °C) drying. Abstract Influence of heat pump drying (HP at 40, 45 and 50 °C), tray drying (TD) and sun drying (SD) on the quality of Arabica coffee was evaluated. Drying process did not affect the caffeine content, but influenced levels of some amino acids. Sucrose content was higher in HP and TD than in SD green coffees. The perceived aroma of brewed coffee from SD was similar to HP, but differed from TD. Concentrations of 30 important odorants were compared for SD, HP (50 °C) and TD brewed coffees. 2-Furfurylthiol, a key odorant of coffee, was at the same level in SD and HP coffees and lowest in TD samples. Principal component analysis (PCA) separated SD from HP and TD, based on the concentrations of 23 odorants. Combined results of sensory and chemical analyses showed that in comparison to SD, HP was superior to TD for preserving overall flavor quality. [ABSTRACT FROM AUTHOR]

• Consumer demand for single-origin specialty coffee increases the risk of fraudulent activities. • Tracing of Ethiopian coffee origins is possible using multi-element and stable isotope profiling. • XRF-based multi-elements with δ13C discriminated coffee origins with high classification accuracy. • XRF technology is a promising tool for coffee profiling with the aim of authenticity detection. To test the potential of different analytical tools to determine the geographical origin of Ethiopian coffee, 103 green arabica coffee samples from four coffee regions in Ethiopia were subjected to multi-elements and δ 13C, δ 15N and δ 18O determinations. Multi-elements were determined by using inductively coupled plasma (ICP)- and X-ray fluorescence spectrometry (XRF)-based techniques, and δ 13C, δ 15N and δ 18O were determined by using elemental analyzer-isotope ratio mass spectrometry. Using linear discriminant analysis, XRF-based multi-elements with and without δ13C appeared to be most effective in discriminating the geographical origin of coffee, giving higher classification accuracy (89 and 86%, respectively) than ICP-based multi-elements with and without stable isotopes (80%, each). These results demonstrate the potential of XRF-based multi-element profiling as a relatively fast and low-cost tool to trace the geographical origin of Ethiopian coffee. All together this study offers the proof of concept for a promising method that, upon standardization, could be used for coffee provenance authentication and fraud detection. [ABSTRACT FROM AUTHOR]

Highlights • Raman spectroscopy has allowed the distinction between the coffee genotypes. • The compounds that most contribute for discrimination are kahweol and fatty acids. • The classification model built is adequate for differentiate the coffee genotypes. Abstract The objective of this study was to evaluate the ability of Raman spectroscopy to identify the genotype of green coffee beans. Four genotypes of Arabic coffee: one Mundo Novo line (G1) and three Bourbon lines (G2, G3, and G4). The harvest was selected using a wet processing method. Raman spectra of the samples were obtained using a FT-Raman RFS/100 spectrometer in the spectral range of 3500–400 cm−1. The data were treated using chemometric unsupervised classification tools and supervised analysis. Using the unsupervised analysis (PCA), the apparent tendency of agglomeration between samples G1 and G3 was verified. These differences were present in the spectral bands that are characteristic of fatty acids and kahweol. Based on this information, a classification model to discriminate (PLS-DA) the Mundo Novo and Bourbon samples was utilized. Raman spectroscopy allowed the building of an adequate model to differentiate between coffee genotypes. [ABSTRACT FROM AUTHOR]

Highlights • Lipid content of dairy condiments added to coffee is critical in coffee furan retention. • Stirring hot coffee can significantly reduce furan exposure. • Condiments added at high temperatures reduce furan exposure. Abstract Coffee has been determined as the dominant source of furan within an adult's diet. This study investigates the influence of coffee condiment use and stirring on the retention of furan. Three condiment lipid compositions were investigated, 0%, 3.5% and 35%, and kept at either 4 °C, 20 °C or 70 °C before addition to a freshly brewed cup of filter coffee which was subsequently mechanically stirred at three intensities, not stirred and moderately or heavily stirred. While five furans were monitored, furan, 2-methylfuran, 3-methylfuran, 2,5-dimethylfuran and 2,3-dimethylfuran, only two were quantifiable: furan and 2-methylfuran. Increasing condiment lipid concentration significantly increased retention of furan and 2-methylfuran, whereas stirring the coffee significantly increased furan release. A condiment temperature of 70 °C was found to significantly increase furan release. [ABSTRACT FROM AUTHOR]

Highlights • p- coumaroylquinic acids UHPLC analyses in wild coffees reported for the first time. • Use of authentic standards for identification of p CoQAs. • Total CGAs contents and measure of contribution of p CoQAs to polyphenols in coffee. • C. sessiliflora is the richest source of p CoQAs. • Effect of roasting conditions on p CoQAs content of two commercial species. Abstract Quantitative analyses of mono- p -coumaroylquinic acids (p CoQAs) and total chlorogenic acids (CGAs) in green coffee commercial lots of C. arabica, C. canephora and C. liberica from different geographical origins and eight wild Coffea species were carried out. Among the commercial lots, p CoQAs average content of C. arabica (0.67 mg/g) is higher than that of C. canephora (0.40 mg/g) being C. liberica intermediate (0.58 mg/g). As far as the analyzed wild Coffea species is concerned, C. pseudozanguebariae is characterized by the lower p CoQAs content (0.12 mg/g) whereas C. sessiliflora is by far the richest source of p CoQAs (2.18 mg/g). Effect of the roasting process on the mono- p -coumaroylquinic acids profile was evaluated for the economically exploited species C. arabica and C. canephora. For the first time distribution of mono- p- coumaroylquinic acid isomers in wild coffee species by fast and accurate UHPLC-DAD analyses using authentic standards previously synthetized, is reported. [ABSTRACT FROM AUTHOR]

Highlights • Metabolomics in coffee brew by boiled, pour-over and cold-brew were compared. • Nine potential markers were putatively identified and five of them were confirmed. • Norharman and harman were higher in thermally brewed samples than the cold-brew. Abstract An untargeted metabolomic method based on UPLC-QTOF were used to investigate the differences in coffee brewed by boiled, pour-over and cold-brew methods here. Distinctive separation among the three groups could be seen from principal component analysis and hierarchical clustering analysis. Analysis of variance, fold change and orthogonal projection to latent structures discriminant mode were conducted to find the characteristic potential markers, subsequently, nine potential markers were putatively identified using general chemical databases, and five of them were further confirmed by acquisition of reference standards. This work provides an efficient way for discrimination of coffee brewed by different methods. Interestingly, the result of this work also suggested that the contents of two selected markers, norharman and harman, were higher in the pour-over and boiled methods, compared to the cold-brew method. This content difference were further verified by the quantitative analysis data of commercial coffee samples. [ABSTRACT FROM AUTHOR]

Highlights • Coffee exocarp is an important source of anthocyanins. • Concentration solvent (60%) and solid solvent ratio (25%) extract highest anthocyanin content. • Color coordinate L* presented an inverse behavior in anthocyanin content. • 3% coffee anthocyanins extract is an important color alternative in French meringue. Abstract This study aimed to optimize the pigment extraction process for coffee exocarp and to evaluate its coloring effect on French meringue. The anthocyanins were determined with the differential pH method and the process was optimized with the response surface methodology. The solvent concentration (SC) and solid solvent ratio (SSR) had a significant effect on the anthocyanin content and surface color of the coffee cherry extracts. The optimal extraction conditions 60% SC and 25% SSR resulted in the highest concentration of anthocyanins (0.145 mg cyanidin 3-glucoside/g of coffee fresh exocarp). For the French meringue, the 3% extract concentration had the smallest total color difference (ΔE), as compared to the control, evidencing the potential of coffee exocarp dyes in place of synthetic dyes in the manufacture of French meringue. [ABSTRACT FROM AUTHOR]

Highlights • First report for simultaneous analysis of HAAs and AA in coffee by UHPLC-MS/MS. • QuEChERS and nano-Fe 3 O 4 can remove pigment, caffeoylquinic acid, chlorogenic acid. • The method with favorable robustness, sensitivity and selectivity is easy to implement. • The method is a good tool enabling detection of AA and HAAs in commercial coffee. Abstract Based on QuEChERS dispersed purification, Fe 3 O 4 nanoparticle decoloration and UHPLC–MS/MS, a robust and sensitive method was established for simultaneous analysis of 14 heterocyclic aromatic amines (HAAs) and acrylamide (AA) in coffee products. Sample was extracted by 90% acetonitrile water (v/v), dispersed with primary secondary amine (PSA) and further purified with Fe 3 O 4 nanoparticle. Then, 15 analytes were detected using ESI positive ion under MRM mode. Good linearity was observed for all analytes in the range of 0.2–100 μg/L with the determination coefficients being above 0.996. Limits of detection (S/N ≥ 3) and limits of quantification (S/N ≥ 10) were in the range of 0.02–0.15 µg/L and 0.2–0.7 µg/L, respectively. The intra-day average recoveries were between 81.6% and 100%, and the intra-day precisions ranged from 4.3% to 9.0%. The inter-day average recoveries were in the range of 81.0–101% with precisions ranging from 5.0% to 7.8%. Results indicated that the combination of PSA and Fe 3 O 4 exhibited superior purification and adsorption effects for removing pigments and acid compounds. Real samples analysis indicated that coffee products were widely contaminated with AA, harman and norharman. [ABSTRACT FROM AUTHOR]

Highlights • Targeted and untargeted analytical methods with multivariate analysis were used to formulate and produce food with balance bioactive compounds. • A new creative technique might enhance further works related to the field of foodomics. • The discovery bioactive and volatile aroma marker in food products revealed the potential to design new process and functional coffee. Abstract The objective of this study was to develop both a possible process and a spray-dried coffee product with a balanced content of bioactive compounds. Spray-dried coffees were prepared by mixing different ratios of medium-roasted Coffea canephora (R) with green Coffea arabica (A) beans. Overall, quality characteristics of spray-dried coffees were not different. The dominant signals of 1D 1H NMR were identified as trigonelline, caffeine and chlorogenic and organic acids. Principal component analysis explained 81.8% of the total variance. Roasted Robusta spray-dried coffee was clearly distinguished from blended coffees. Forty-two volatile compounds were identified. An increase in green Arabica mixed with roasted Robusta in the blends resulted in an increase in 5-caffeoylquinic acid but a decrease in caffeine contents. Spray-dried coffee prepared from a A35:R65 showed greater total phenolic content and antioxidant activity due to a balance in bioactive compounds. In addition, its coffee brew obtained the highest overall liking score. [ABSTRACT FROM AUTHOR]

Highlights • A PLS model predict and characterize the composition of coffee blends. • Data fusion of FTIR and paper spray MS for predicting Robusta-Arabica blends. • Variable selection improved the models and facilitated spectral interpretation. • The best model allowed matrix characterization by correlating FTIR and MS spectra. • Main discriminant markers were trigonelline, chlorogenic acids, sugars, quinic acid. Abstract This paper describes a robust multivariate model for quantifying and characterizing blends of Robusta and Arabica coffees. At different degrees of roasting, 120 ground coffee blends (0.0–33.0%) were formulated. Spectra were obtained by two different techniques, attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and paper spray mass spectrometry (PS-MS). Partial least squares (PLS) models were built individually with the two types of spectra. Nevertheless, better predictions were obtained by low and medium-level data fusion, taking advantage from the synergy between these two data sets. Data fusion models were improved by variable selection, using genetic algorithms (GA) and ordered predictors selection (OPS). The smallest prediction errors were provided by OPS low-level data fusion model. The number of variables used for regression was reduced from 2145 (full spectra) to 230. Model interpretation was performed by assigning some of the selected variables to specific coffee components, such as trigonelline and chlorogenic acids. [ABSTRACT FROM AUTHOR]

Highlights • 4(5)-Methylimidazole was quantified by LC-MS/MS in various foods and beverages. • QuEChERS extraction method was modified for sample preparation. • The method showed good analytical performance with degree of reliability. • The developed method was successfully applied to real foods and beverages. Abstract The determination of carcinogenic 4(5)-methylimidazole (4-MeI) in complex matrices at trace levels is a challenge because of its higher polarity and weaker column retention capability. Here, we proposed a novel method for the quantification of 4-MeI in various foods and beverages using modified quick, easy, cheap, effective, rugged, and safe (QuEChERS) extraction with liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis. The evaluated QuEChERS extraction with LC-MS/MS method showed excellent linearity (1–200 μg/L, with correlation coefficient (R2) > 0.999), trueness (91–113%), and precision (relative standard deviation (RSD) ≤ 12.3%), but low matrix effect (92–108%) for cola, tea, beer, coffee beverage, bread, biscuit and instant coffee. The expanded measurement uncertainty was less than 34.4% at 95% confidence level. The proposed method can be successfully applied to determine 4-MeI in 28 commercial foods and beverages purchased from local market. Therefore, we believe this method is likely to provide a potential for 4-MeI determination in practical application. [ABSTRACT FROM AUTHOR]

Highlights • The effect of in vitro digestion-fermentation on green and roasted coffee was studied. • The fermented fraction was more antioxidant than regular and digested coffees. • Individual polyphenols and SCFAs production were different in green coffees. • The microbial community was different after fermenting green and roasted coffees. • Green and roasted coffees behave as different foods after digestion-fermentation. Abstract Coffee is one of the most consumed beverages and has been linked to health in different studies. However, green and roasted coffees have different chemical composition and therefore their health properties might differ as well. Here, we study the effect of in vitro digestion-fermentation on the antioxidant capacity, phenolic profile, production of short-chain fatty acids (SCFAs), and gut microbiota community structure of green and roasted coffee brews. Roasted coffees showed higher antioxidant capacity than green coffees, with the highest level achieved in fermented samples. Polyphenol profile was similar between green and roasted coffees in regular coffee brews and the digested fraction, but very different after fermentation. Production of SCFAs was higher after fermentation of green coffee brews. Fermentation of coffee brews by human gut microbiota led to different community structure between green and roasted coffees. All these data suggest that green and roasted coffees behave as different types of food. [ABSTRACT FROM AUTHOR]

Highlights • A method for rapid coffee metabolite determination from NMR spectra is described. • Different coffee varieties, origins and extraction procedures are compared. • Hydroalcoholic extraction is the most efficient in terms of LMW compounds' yield. • The moka extraction affords the highest yields of melanoidins. • Ratio between healthy compounds and caffeine is higher in Arabica coffees. Abstract We set up an efficient protocol for the rapid analysis of NMR spectra of green and roasted coffee extracts, enabling the automatic identification and quantification of metabolites in approximately two minutes per spectrum. This method allowed for the metabolic profiling and the subsequent evaluation of the content of bioactive compounds and antioxidant activity of coffee samples, depending on their species (Arabica and Robusta), geographical origin and extraction procedure (hydroalcoholic, espresso and moka). The hydroalcoholic extraction is the most efficient method in terms of yields of low molecular weight compounds (in particular chlorogenic acids), while moka extraction provides the highest amounts of melanoidins. Moreover, that the ratio between health-giving compounds (chlorogenic acids, trigonelline and choline) and caffeine is higher in Arabica coffees. The data collected provide useful insights for the selection of coffee raw material to be used in the preparation of coffee-based dietary supplements, nutraceuticals and functional beverages. [ABSTRACT FROM AUTHOR]

Highlights • Visual detection of BIS has shown their inefficiency in coffee quality control. • LIBS is first time proposed for BIS determination. • Lines of N, O, CN and C2 contributed for the good performance of the methods. • The MLR models showed RMSEPs smaller than 3.8%. Abstract One of the most important factors that interfere negatively in coffee global quality has been blends with defective beans, especially those called Black, Immature and Sour (BIS). The methods based on visual-manual estimation of defective beans have shown their inefficiency in coffee value chain for large-scale analysis. The lack of fast, accurate and robust analytical methods for BIS determination is still a research gap. Laser-Induced Breakdown Spectroscopy (LIBS) is a fast, low-cost and residue-free technique capable of performing multielemental determination and investigating organic composition of samples. In the present work, LIBS together with spectral processing and variable selection were evaluated to fit linear regression models for predicting BIS in blends. Models showed high capacity of prediction with RMSEP smaller than 3.8% and R2 higher than 80%. Most importantly, measurements are guided by chemical responses, which make LIBS-based methods less susceptible to the visual indistinguishability that occurs in manual inspections. [ABSTRACT FROM AUTHOR]

Highlights • Evaluated the composition of polyphenols in six selected coffee substitute brews. • Polyphenols composition and antioxidant activity used for classification of coffee substitutes. • Coffee infusions prepared from acorns exhibit significant antioxidant capacity. • Mg content strong correlated with FRAP, gallic acid, PAC and TPC. Abstract The analysis of general content of polyphenols, minerals and antioxidant activity of infusions from selected coffee substitutes is presented. The obtained results showed that the coffee infusions prepared from acorns exhibit the highest radical scavenging capacities for DPPH (EC 50 = 0.063–0.066 mg d.w. /mL), ABTS (EC 50 = 0.021–0.029 mg d.w. /mL), OH (EC 50 = 2.050–2.378 mg d.w. /mL) as well as the highest ability to Fe3+ reduction (FRAP) (∼1.1 mmolFe/g d.w). These coffee substitutes also contain the greatest values of polyphenols (45–50 mgGA/g d.w). Analyzed coffee substitutes differ in both quality and quantity of polyphenols, but all tested coffees contain gallic and chlorogenic acids. The most of phenolic compounds was found in herbal-cereal coffee substitute. The quantitative results and PCA analysis indicated a good correlation between the antioxidant activity and total polyphenols, flavonoids and gallic acid content. Using the obtained data on the composition and antioxidant properties of extracts the cluster analysis (CA) was performed to distinguish similar or close types of coffee. [ABSTRACT FROM AUTHOR]

Highlights • Adulteration originates non-authentic beverages, which may possess health risks. • Geographical origin is one of the major authenticity issues for beverages. • Fruit juices, coffee, tea and alcoholic beverages are likely to be target of fraud. • Chemical, biomolecular and isotopic methods are applied to determine authenticity. Abstract Nowadays, consumers expect to be sure that a food product complies with its label and demand further information regarding the geographical origin of the product. Beverages are among the most likely foods to be the target of food fraud. Adulteration through practices including, among the others, mixing or substituting the original material with other materials or useless parts of the same materials, which do not conform to the official standards and the food label, originate non-authentic beverages. For the determination of beverage authenticity, chemical, biomolecular and isotopic approaches could be applied depending on the level in the structure of the matter for obtaining the target information. This review highlights the recent key studies and related analytical approaches on authentication of beverages including fruit juices, coffee and tea, and wine and other alcoholic beverages. [ABSTRACT FROM AUTHOR]

Highlights • Roast coffee was produced from two cultivars harvested over seven maturity stages. • Fully immature cherries had more N-heterocycles/phenols and less carbohydrate degradation products. • Sensory scores were significantly lower for coffee from fully immature cherries. • Based on PCA, minimal sensory or volatile differences existed among all other maturity stages (yellow-green to overripe). • Inclusion of partially ripe or overripe cherries appears compatible with specialty coffee production. Abstract Immature coffee cherries produce roast coffees with lower hedonic scores than those produced from mature cherries, but variation in volatile and sensory characteristics over a range of maturities is not well studied. In this work, cherries from two coffee cultivars (Caturra, Catimor) were sorted into seven maturity stages from fully immature (Stage 1, green) to fully overripe (Stage 7, purple). Volatile profiles of Stage 1 roast coffee had lower concentrations of carbohydrate degradation products and higher concentrations of N-heterocycles and phenols. Differences in volatiles among Stage 2 (partially immature, yellow-green) and subsequent stages were insignificant (p > 0.05) or else minor. Principle component analysis of the volatile data set also distinguished Stage 1 from other stages. Similarly, a trained cupping panel reported significantly lower sensory scores for Stage 1 as compared to Stages 2–7, but few differences among Stages 2–7. Thus, partially mature and overripe cherries may be appropriate for specialty coffee. [ABSTRACT FROM AUTHOR]

Highlights • Simple and low-cost methods for the detection of coffee adulterations. • Coffee adulteration detected with LDA aided by variable selection on voltammetric data. • Amount of coffee impurities determined by MLR preceded by variable selection. • Voltammetric electronic tongue performed with a single voltammetric sensor. Abstract This work presents a simple and low-cost analytical approach to detect adulterations in ground roasted coffee by using voltammetry and chemometrics. The voltammogram of a coffee extract (prepared as simulating a home-made coffee cup) obtained with a single working electrode is submitted to pattern recognition analysis preceded by variable selection to detect the addition of coffee husks and sticks (adulterated/unadulterated), or evaluate the shelf-life condition (expired/unexpired). Two pattern recognition methods were tested: linear discriminant analysis (LDA) with variable selection by successive projections algorithm (SPA), or genetic algorithm (GA); and partial least squares discriminant analysis (PLS-DA). Both LDA models presented satisfactory results. The voltammograms were also evaluated for the quantitative determination of the percentage of impurities in ground roasted coffees. PLS and multivariate linear regression (MLR) preceded by variable selection with SPA or GA were evaluated. An excellent predictive power (RMSEP = 0.05%) was obtained with MLR aided by GA. [ABSTRACT FROM AUTHOR]

Highlights • Qualitative models of coffee quality using the data FTIR spectra and sensory analysis were developed. • Models predicting attribute of coffee quality from FTIR spectra were also developed. • The models for aroma, flavor, aftertaste and acidity showed very consistent. • Coffee sensory analysis and spectroscopy techniques are promising to classify coffee by its sensory profile. Abstract Coffee cup quality, determined by the sensory attributes evaluated by professional tasters, is a decisive factor for evaluating coffee, with the "Specialty Coffee Association of America" (SCAA) classification being nowadays considered the most suitable. P anels of trained coffee tasters are used by the industry to describe and evaluate beverage quality, but those evaluations can be subjective and time demanding. Recent studies have demonstrated the potential of spectroscopy-based methods for establishing parameters of quality in the analysis of food products, including coffee. Thus, the aim of this study was to evaluate the potential of ATR-FTIR and chemometrics to discriminate espresso coffees with different sensory characteristics reported by a panel of coffee tasters. The results showed good consistency among coffee tasters. PLS-DA models based on spectroscopic data were able to classify samples according to sensory attributes, confirming the potential of FTIR and chemometrics in coffee quality evaluation. [ABSTRACT FROM AUTHOR]

Highlights • Brewing method has a significant influence on furan and furan derivative exposure. • Drinking temperature influences furan and furan derivative exposure. • Cup choice affects cooling dynamics but not temperature dependent furan exposure. Abstract This study examined the influence of consumer behavior on furan, 2-methylfuran, 3-methylfuran, 2,5-dimethylfuran and 2,3-dimethylfuran exposure in coffee. Coffees brewed using a filter, fully automatic, capsule machine or reconstituted instant coffee were found to have a significant different cup concentrations of furan derivatives. Coffee brewed with the fully automatic machine contained the highest furan and furan derivative concentrations (99.05 µg/L furan, 263.91 µg/L 2-methylfuran, 13.15 µg/L 3-methylfuran and 8.44 µg/L 2,5-dimethylfuran) whereas soluble coffee did not contain detectable levels, thereby contributing least to a consumer's dietary exposure. Furan and furan derivative concentrations were found to decrease significantly upon cooling, reducing consumer exposure by 8.0–17.2 % on average once the coffee reached drinking temperature 55–60 °C, in ceramic cups. Serving coffee in a ceramic or disposable cup were found to influence the cooling dynamics of the coffee but did not statistically influence the consumers exposure at a given temperature. [ABSTRACT FROM AUTHOR]

Highlights • Different levels of acetic acid were used to pre-treat Robusta green coffee beans. • Acetic acid pre-treated Robusta had a more similar aroma profile to Arabica. • The optimum level of acetic acid treatment was 2%. • The maximum level of Robusta coffee added in a blend increased from 20% to 80%. Abstract Green Robusta beans were subjected to pre-treatment with the aim of reducing the perceived aroma difference between Arabica and Robusta coffee. Treatment was a short soaking procedure with varying concentrations of acetic acid (up to 5%). Samples were subjected to thermal treatment (roasted) and ground to a standardised particle size distribution. Aroma compounds were evaluated by headspace analysis using solid-phase microextraction and gas chromatography-mass spectrometry. Pre-treatment significantly affected aroma formation during roasting and resulted in a modified level of pyrazines, furanic compounds and sulfur-containing compounds (p < 0.05). Principal component analysis illustrated that the aroma profile of the pre-treated Robusta coffee was closer to the target Arabica coffee after roasting. Sensory results confirmed that the aroma of the 2% acetic acid pre-treated Robusta brew was similar to Arabica; the maximum inclusion level of Robusta coffee in a blend could be increased from 20% to 80%. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Caffeine showed pro-inflammatory effects in IFN-γ and LPS induced Raw 264.7 cells. • Aqueous fraction of coffee leaf extract increased nitric oxide, iNOS, COX-2, IL-6 and IL-10 production. • Fraction eluted by 40% methanol showed highest anti-inflammatory activities than the other fractions. • The anti-inflammatory activities of coffee leaf fractions are not mainly attributed to the presence of CQAs, mangiferin, rutin, and caffeine. • The anti-/pro-inflammatory activities of coffee leaf extracts influenced by the polarity of chemical components. Abstract Our previous study reported that different tea processing methods along with the age of coffee leaves affected antioxidant and anti-inflammatory bioactivities; however, identification of phytochemical components or associated mixtures that contribute to the anti-/pro-inflammatory activities was not determined. Herein, we report results of additional experiments designed to characterize the phytochemical composition of fractionated coffee leaf extract, derived from Japanese-style-green-tea-process-young (JGTP-Y) and black-tea-process-mature (BTP-M) leaves and related these data to anti-/pro-inflammatory activities. The aqueous fraction of BTP-M coffee leaves induced nitric oxide (NO), iNOS, COX-2, IL-6 and IL-10 production in Raw 264.7 cells. A 40% methanol fraction possessed greatest anti-inflammatory activities in IFN-γ and LPS treated Raw 264.7 cells (P < 0.05). The anti-inflammatory activities of coffee leaf fractions could not only be attributed to chlorogenic acids, mangiferin, rutin, and caffeine content, but possibly subtle interactions of mixtures of bioactive molecules. [ABSTRACT FROM AUTHOR]

[Display omitted] • Coffee counterfeiting poses a significant problem in the global coffee industry. • A rapid and effective method for analyzing and classifying single coffee beans is demonstrated. • Single coffee bean mass spectrometry (MS) is used for intact coffee bean analysis. • Neural network-based machine-learning combined with MS results classifies individual coffee beans. • The method distinguishes palm civet coffee beans from regular ones. Coffee is a daily essential, with prices varying based on taste, aroma, and chemical composition. However, distinguishing between different coffee beans is challenging due to time-consuming and destructive sample pretreatment. This study presents a novel approach for directly analyzing single coffee beans through mass spectrometry (MS) without the need for sample pretreatment. Using a single coffee bean deposited with a solvent droplet containing methanol and deionized water, we generated electrospray to extract the main species for MS analysis. Mass spectra of single coffee beans were obtained in just a few seconds. To showcase the effectiveness of the developed method, we used palm civet coffee beans (kopi luwak), one of the most expensive coffee types, as model samples. Our approach distinguished palm civet coffee beans from regular ones with high accuracy, sensitivity, and selectivity. Moreover, we employed a machine learning strategy to rapidly classify coffee beans based on their mass spectra, achieving 99.58% accuracy, 98.75% sensitivity, and 100% selectivity in cross-validation. Our study highlights the potential of combining the single-bean MS method with machine learning for the rapid and non-destructive classification of coffee beans. This approach can help to detect low-priced coffee beans mixed with high-priced ones, benefiting both consumers and the coffee industry. [ABSTRACT FROM AUTHOR]

• Sensory properties of coffee are improved by quinoa beverage prepared by hydrolysis. • Coffee rich in chlorogenic acid significantly retards oxidation of quinoa beverage. • Chlorogenic acid induced unfolding of quinoa protein hydrolysate structure. • Good emulsion/interfacial properties of chlorogenic acid-quinoa protein hydrolysate. • Synergistic antioxidation between chlorogenic acid and quinoa protein hydrolysate. The effect of quinoa protein hydrolysate (QPH) beverage on the physicochemical and sensory characteristics of coffee was investigated. The scores of sensory properties of coffee-quinoa beverage revealed that the unpleasant sensory characteristics, such as extreme bitterness and astringency, were covered up by the addition of quinoa beverage; while smooth mouthfeel and sweetness were enhanced. On the other hand, the introduction of coffee into quinoa beverage significantly retarded oxidation characterized by TBARS. When treated with chlorogenic acid (CGA), significant structural changes and improved functionalities of QPH were detected. CGA induced the unfolding structure of QPH and decreased surface hydrophobicity. The interaction between QPH and CGA was shown by the changes of sulfydryl content and the pattern of SDS-PAGE. Besides, neutral protease treatment increased the equilibrium oil–water interfacial pressure value of QPH, revealing improved stability of emulsions. Synergistic antioxidant effect between QPH and CGA was revealed by increased ABTS+· scavenging rate. [ABSTRACT FROM AUTHOR]

• Traditional post-harvest methods used as fermented coffee fruits post-treatments. • Post-treatments based on chemical orientation make coffee highly differentiated. • Samples were classified as specialty coffee with distinct sensory profiles. • New processes have the potential to exploit and meet new niches in coffee. In this study, medium roasted coffee with four different fermented coffee fruits post-treatments (dry, wet, semi-dry and hot air dry) was used as the material. Chemical profile and sensorial analysis were used to comprehensively analyze the effects of post-treatments on coffee flavor characteristics from multiple dimensions. A total of 31 water-soluble chemical components and 39 volatile compounds were identified in roasted coffee, and distinct post-treatments based on chemical orientation make coffee highly differentiated. In addition, the principal component analysis (PCA) of the chemical composition integrated data set showed that the first two principal components could explain 54.9% of the sample variability. All four post-treatments can be classified as "specialty coffees" according to the Specialty Coffee Association (SCA) protocol, with various organoleptic characteristics and flavor attributes. As a result, the fermented coffee fruits post-treatment method further determines the quality characteristics of coffee, thus meeting the needs of different niche markets. [ABSTRACT FROM AUTHOR]

[Display omitted] • NIR spectroscopy technique could predict 5-HMF content in roasted coffee effectively. • RF performed better than OLS and SVM in the prediction. • It provides a reference for the large-scale detection of 5-HMF in the coffee production industry. Since 5-hydroxymethylfurfural (5-HMF) is carcinogenic to humans, its detection in foods is essential. This study performed near-infrared (NIR) spectroscopy (11998–4000 cm−1) to determine the 5-HMF content in roasted coffee. The random forest (RF) was used to extract important wavenumbers, after which three machine learning models (ordinary least square (OLS), support vector machine (SVM), and RF) were established for the prediction. RF obtained the best prediction results (R c 2 = 0.98 and R p 2 = 0.92) compared with OLS and SVM and effectively extracted the important wavenumbers (11667 cm−1, 11666 cm−1, 10905 cm−1, 7096 cm−1, 7095 cm−1, 7094 cm−1, 7093 cm−1, 7092 cm−1, 5054 cm−1, 5026 cm−1, 5025 cm−1, and 5024 cm−1). The results demonstrated that machine learning models based on NIR spectroscopy could provide a non-destructive approach for determining 5-HMF content in roasted coffee. [ABSTRACT FROM AUTHOR]