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This work presents the development of a novel electrochemical sensor for caffeine detection in sports drinks, utilizing molecular imprinting technology with surface-imprinted nanoparticles. Key to this study is the synthesis of caffeine-imprinted polypyrrole nanoparticles via electropolymerization, which displayed a high specific surface area (25 m2/g) and efficient template binding. The sensor exhibited a notable linear detection range from 30 to 150 µM and a significantly low limit of detection at 2.5 µM. Characterization of the nanoparticles was rigorously conducted using SEM, FTIR, and BET analysis. Optimized sensing conditions were established at pH 5, with a 5 min accumulation time and a scan rate of 50 mV/s, ensuring high sensitivity and selectivity. Practical application was demonstrated through the accurate detection of caffeine in commercially available sports drinks, with recovery rates ranging from 97.6 to 101.5%. This research underscores the potential of molecularly imprinted polymer-based sensors in simplifying and enhancing the detection of caffeine in complex matrices, offering a promising tool for health monitoring and sports performance analysis. [ABSTRACT FROM AUTHOR]

Street cocaine is often mixed with various substances that intensify its harmful effects. This paper proposes a framework to identify attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) intervals that best predict the concentration of adulterants in cocaine samples. Wavelengths are ranked according to their relevance through ReliefF and mRMR feature selection approaches, and an iterative process removes less relevant wavelengths based on the ranking suggested by each approach. Gaussian Process (GP) regression models are constructed after each wavelength removal and the prediction performance is evaluated using RMSE. The subset balancing a low RMSE value and a small percentage of retained wavelengths is chosen. The proposed framework was validated using a dataset consisting of 345 samples of cocaine with different amounts of levamisole, caffeine, phenacetin, and lidocaine. Averaged over the four adulterants, the GP regression coupled with the mRMR retained 1.07 % of the 662 original wavelengths, outperforming PLS and SVR regarding prediction performance., 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 © 2024 Elsevier B.V. All rights reserved.)

To explore the influence of tea trichomes on the quality of white tea, liquid chromatography quadrupole time-of-flight mass spectrometry (LC-Q-TOF-MS), and headspace solid phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) were used to identify non-volatile and volatile compounds white tea without trichomes (WTwt) and pure trichomes (PT). It was found that the bitter and astringent compounds, caffeine (CAF), epigallocatechin gallate (EGCG), epicatechin gallate (ECG) and flavonol glycosides, were mainly enriched in the WTwt, with 16.3-fold, 47.1-fold and 28.7-fold decrease in CAF and EGCG and ECG, respectively, and the content of these compounds in PT were lower than the taste thresholds. In PT, kaempferol-3-O-(p-coumaroyl)-glucoside and kaempferol-3-O-(di-p-coumaroyl)-glucoside were non-volatile marker compounds, and decanal was significant aroma contributor with rOAV = 250.86. Moreover, the compounds in trichomes mainly contributed to the fruity and floral aroma of white tea, among which benzyl alcohol, (E)-geranylacetone, decanal, dodecanal and 6-methyl-5-hepten-2-one were the crucial aroma components, which were 2.1, 1.7, 1.8, 1.4 and 2.2 times as much as the WTwt in the PT, respectively. In conclusion, trichomes can improve the quality of white tea by reducing the bitterness and astringency, increasing the umami, as well as enhancing the fruity and floral aromas., 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 © 2024 Elsevier Ltd. All rights reserved.)

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., 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. Published by Elsevier Ltd.)

Coffee is one of the most consumed beverages worldwide, recognized for its unique taste and aroma and for its social and health impacts. Coffee contains a plethora of nutritional and bioactive components, whose content can vary depending on their origin, processing, and extraction methods. Gathered evidence in literature shows that the regular coffee consumption containing functional compounds (e.g., polysaccharides, phenolic compounds, and melanoidins) can have potential beneficial effects on cardiometabolic risk factors such as abdominal adiposity, hyperglycemia, and lipogenesis. On the other hand, coffee compounds, such as caffeine, diterpenes, and advanced glycation end products, may be considered a risk for cardiometabolic health. The present comprehensive review provides up-to-date knowledge on the structure-function relationships between different chemical compounds present in coffee, one of the most prevalent beverages present in human diet, and cardiometabolic health., (© 2024 Institute of Food Technologists®.)

Design of experiment is an efficient and cost-effective tool to optimize the chromatographic separation of a multicomponent mixture. The central composite design was conducted to develop and optimize a green high performance liquid chromatography (HPLC) method for simultaneous quantitation of a quaternary mixture of paracetamol, chlorpheniramine maleate, caffeine and ascorbic acid in their pharmaceutical dosage form as well as the determination of their dissolution profile. A five-level three-factor model was performed to investigate the effect of mobile phase composition, pH and flow rate on enhanced resolution and short run time. Analysis was performed using a Kinitex EVO C18 column and a mobile phase composed of methanol: 0.02 M phosphate buffer pH 3.3 (34:66, v/v) at 1.0 mL/min using photodiode array detection. Optimum chromatographic separation was achieved in <6 min with a desirability of 0.999. Linearity was achieved over a range of 1.00-300.00, 1.00-50.00, 2.00-50.00 and 2.00-100.00 μg/mL for paracetamol, chlorpheniramine maleate, caffeine and ascorbic acid, respectively, with a limit of detection (<0.1 μg/mL). The greenness profile was evaluated using the analytical eco-scale and Analytical GREEnness Metric Approach with values of 81 and 0.77, respectively., (© The Author(s) 2024. Published by Oxford University Press. All rights reserved. For permissions, please email: journals.permissions@oup.com.)

Pacu (Piaractus mesopotamicus) is a fish with a high production potential in Brazil. However, one limitation is the excessive amount of ether extract in its carcass, an undesirable characteristic for the consumer. One approach to overcome this limitation is to improve carcass quality through zootechnical additives such as caffeine. The aim of this study was to evaluate the effect of supplementing the diet of pacu with caffeine on cut yield, biological indices, and carcass composition. Two hundred pacu with an initial weight of 1,687 g were used. The animals were allocated to 20 aquaculture cages of 1 m³, with 10 animals per cage. A completely randomized design with four treatments and five replicates was used. The treatments evaluated consisted of four inclusion levels of caffeine: T1 = 0.00 g; T2 = 0.16 g; T3 = 0.32 g, and T4 = 0.48 g caffeine.kg-1 of feed. The findings show that caffeine can be recommended as a diet supplement for carcass improvement of pacu, reducing the fat content and increasing the protein content of the carcass. Caffeine up to 0.32 g.kg-1 of feed can be added to the diet of pacu without affecting its performance or cut yield.

Coffee is a widely consumed beverage rich in bioactive phytochemicals. This study investigated the effect of brewing method on the profile of potential bioactive compounds in different coffee beverages using metabolomics and lipidomics based on UHPLC-MS/QTOF. The oil contents of the espresso coffee (EC), pot coffee (PC), instant coffee (IC), and filter coffee (FC) beverages studied were 0.13% ± 0.002, 0.12% ± 0.001, 0.04% ± 0.002, and 0.03% ± 0.003, respectively. Univariate analysis indicated significant differences ( P < 0.001) in oil content when EC and PC beverages were compared with IC and FC beverages. Principal component analysis revealed similarities in the lipid profiles of FC and EC beverages and the hydrophilic profiles of PC and FC beverages. The EC beverage had the highest intensity of hydrophilic compounds such as adenine, theobromine, chlorogenic acid, and caffeine. The PC beverage was the most abundant in triglycerides, phosphatidylcholine, and diterpenes. Cafestol and kahweol esters, but not their free forms, were the most abundant diterpenes in the PC beverage. This work provides information on the differences in the profile of potentially bioactive compounds in four commonly consumed coffee beverage types and, thus, on the possible differences in the health effects of these coffee beverage types.

The spreading knowledge of the health benefits of coffee and the development of gastronomy with a wide range of coffees prompt an evaluation of their caffeine content in terms of safe intake. The study analyzed the caffeine content of popular coffees in comparison with recommendations for a safe single dose (200 mg) and daily caffeine intake (400 mg), and guidelines for drinking 3-5 cups of coffee per day. A total of 299 coffee samples from franchise shops and homemade coffees were tested. The "takeaway" coffees had a three times higher mean caffeine content ( p < 0.005) compared to homemade coffees. Americano coffee was the "strongest" (143 mg caffeine/serving on average), while coffee prepared by pouring hot water over one teaspoon of ground coffee was the "lightest" (23 mg caffeine/serving on average) ( p < 0.05). Over 200 mg of caffeine per serving was found in 4% of samples. Over 400 mg of caffeine would be consumed by people drinking "on the go" 4-5 servings of many types of coffee, except espresso. In this respect, homemade coffees are safer. Therefore, recommendations on drinking coffee should be more practical, and indicate not only the number of cups, but also the "strength" of various types of coffee, in order to avoid the regular intake of high amounts of caffeine.

Prednisolone (PDS) has recently been utilized to treat a variety of medical disorders, including autoimmune illnesses and cancer. It is also used to treat coronavirus disease 2019 infection-related respiratory problems. Because it may induce health problems including gastrointestinal lesions and ulceration, it has to be used alongside other drugs like esomeprazole (ESM), which acts as a proton pump antagonist to reduce the probability of ulceration. As a result, the goal of this research is to create an environmentally safe and sensitive high-performance liquid chromatography (HPLC) approach for determining PDS and ESM in their binary combination and spiked human plasma. C8 column (100 × 4.6 mm, 5 μm) and gradient mobile phase elution were used to separate the studied drugs with ultraviolet recognition at 290 nm. Caffeine was utilized as an internal standard to adjust the sample variance. Plasma, caffeine, ESM and PDS all had tR values of 1.4, 3.5, 6.3 and 7.3, respectively. The suggested method's greenness features were evaluated using three greenness evaluation tools: green analytical procedure index, analytical greenness metric approach and analytical eco-scale, and the findings were approved and satisfied. Validation parameters were evaluated in accordance with US-FDA recommendations in order to meet the global desires for biological analysis technique, acceptable limits were obtained., (© The Author(s) 2023. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.)

Located in Brazil's Central Plateau, the Cerrado Savannah is an emerging coffee-growing region with significant potential for the national coffee market. This study investigated the impact of potassium fertilization on Arabica coffee quality in the Cerrado, using three potassium sources (K 2 SO 4 , KCl, and KNO 3 ) and five cultivars (Arara, Aranãs, IPR103, Catiguá and Topázio) across two consecutive harvests. We focused on productivity, granulometry, chemical composition, and sensory characteristics. No significant difference in productivity across the cultivars studied or potassium sources as isolated factors were observed. Regarding chemical parameters, potassium sources only affected NO 3 - and SO 4 2- levels in the grains. Cultivar-specific differences were noted in caffeine (CAF), citric acid (CA), and sucrose (SUC), highlighting a strong genetic influence. K 2 SO 4 improved productivity in Arara (15 %) and IPR103 (11 %), while KNO 3 reduced flat grain percentage to 70 % in Catiguá. Sensory evaluation showed that all potassium sources and cultivars produced specialty coffees, with the Arara cultivar treated with K 2 SO 4 achieving the highest SCA score (83.3) while IPR 103 treated with KCl scored the lowest at 78. Only three treatments were below but very close to the threshold (80). Multivariate analysis indicated a trend where specific treatments correlated with higher productivity and quality. Despite the subtle differences in productivity and quality among potassium sources, a cost-benefit analysis may favor KCl due to its affordability, suggesting its viability as a potassium fertilization option in coffee cultivation. Future research is needed to confirm these trends and optimize potassium source selection to enhance coffee quality in the Cerrado., 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 © 2024 Elsevier Ltd. All rights reserved.)

The aim of this study was to produce chocolate using roasted (RB) and unroasted cocoa beans (URB). The effect of roasting on the total phenolic content (TPC), antioxidant activity [2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging activity, ferric reducing antioxidant power (FRAP), and cupric ion reducing antioxidant capacity (CUPRAC) values], phenolic compounds, caffeine, oxidative stability [free fatty acid, peroxide, conjugated dienes, conjugated trienes, and thiobarbituric acid reactive substances (TBARS)], Fourier transform infrared (FTIR), and differential scanning colorimetry (DSC) analysis of both cocoa beans and chocolate samples were analyzed. According to the results, the TPC of URB (24.96 mg gallic acid equivalent (GAE)/g sample) was higher than roasted beans (21.32 mg GAE/g sample). Similar results were also seen in the TPC of chocolate samples. Although roasting did not affect the DPPH scavenging activity and caffeine content of cocoa beans, it decreased FRAP and CUPRAC values. (-)-Epicatechin and chlorogenic acid values were higher in unroasted bean and chocolate samples, but the amount of gallic acid increased with the roasting process. Free fatty acid, peroxide, conjugated dienes, conjugated trienes, and TBARS results of unroasted samples were lower than roasted ones, indicating better oxidative stability. The melting temperatures of cocoa beans changed with roasting while it was similar between chocolate samples. Composition of the beans and the chocolate samples were qualitatively determined with FTIR., Competing Interests: DECLARATION OF CONFLICTING INTERESTSThe author(s) declared no potential conflicts of interest with respect to the research, authorship, and/or publication of this article.

Highways, the lifeline of the Brazilian economy, transport approximately 75% of the country's economic activity, highlighting its importance. However, professional drivers, accustomed to long daily journeys, make use of tablets widely available in Gas Station, which are known as "Rebites," which could contain a mixture of legal and illegal compounds. Thus, this study aims at the chemical characterization of these through different analytical methods. Initially, we performed a comprehensive screening of compounds present in seven samples collected across the country using high-resolution mass spectrometry (HRMS). The findings revealed caffeine as the main compound, alongside theophylline, lidocaine, and clobenzorex, among others. In the next step, we employ quantitative nuclear magnetic resonance (qNMR) to quantify the caffeine content in the tablets. The results indicated a caffeine concentration ranging between 14% and 31% (m/m), which may imply a daily overdose of this compound from around four tablets. In summary, this investigation provides a chemical characterization of real samples of "Rebites" freely obtained along Brazilian highways. Caffeine emerged as the predominant active compound, with its concentration determined by qNMR analysis. The notable presence of caffeine, combined with other stimulants, depressants, and hallucinogens, underscores the need for strict quality control measures regarding "Rebites" to safeguard public health., (© 2024 American Academy of Forensic Sciences.)

A facile electrochemical approach is proposed for the synchronous determination of acetaminophen (ACP), codeine (COD) and caffeine (CAF) utilizing unmodified screen-printed electrodes (SPEs). The determination of ACP, COD and CAF has been explored across different supporting electrolytes including sulfuric acid (H 2 SO 4 ), hydrochloric acid (HCl), phosphoric acid (H 3 PO 4 ) and Briton Robinson (B.R) buffer solutions. It was found that a 0.05 mol L -1 sulfuric acid solution is an optimal supporting electrolyte utilized for voltammetric analysis of ACP, COD, and CAF with improved sensitivity, stability, and reproducibility. The electro-analytical sensing of ACP, COD and CAF was investigated using SPEs within linear concentration ranges of 3.0-35.0 μmol L -1 , 10-160 μmol L -1 and 10-160 μmol L -1 and revealed competitively low limits of detection (3S/N) of 0.9, 4.8 and 6.3 μmol L -1 for ACP, COD and CAF, respectively. The results indicated the possibility of such a simple and quick electroanalytical protocol for online monitoring of pharmaceutical formulations comprising ACP, COD, and CAF drugs in human fluids with satisfactory recovery.

Acrylamide is an amide formed in the Maillard reaction, with asparagine as the primary amino acid precursor. The intake of large amounts of acrylamide has induced genotoxic and carcinogenic effects in hormone-sensitive tissues of animals. The enzime asparaginase is one of the most effective methods for lowering the formation of acrylamide in foods such as potatoes. However, the reported sensory outcomes for coffee have been unsatisfactory so far. This study aimed to produce coffees with reduced levels of acrylamide by treating them with asparaginase while retaining their original sensory and bioactive profiles. Three raw samples of Coffea arabica, including two specialty coffees, and one of Coffea canephora were treated with 1000, 2000, and 3000 ASNU of the enzyme. Asparagine and bioactive compounds (chlorogenic acids-CGA, caffeine, and trigonelline) were quantified in raw and roasted beans by HPLC and LC-MS, while the determination of acrylamide and volatile organic compounds was performed in roasted beans by CG-MS. Soluble solids, titratable acidity, and pH were also determined. Professional cupping by Q-graders and consumer sensory tests were also conducted. Results were analyzed by ANOVA-Fisher, MFA, PCA and Cluster analyses, with significance levels set at p ≤ 0.05. Steam treatment alone decreased acrylamide content by 18.4%, on average, and 6.1% in medium roasted arabica and canefora coffees. Average reductions of 32.5-56.0% in acrylamide formation were observed in medium roasted arabica beans when 1000-3000 ASNU were applied. In the canefora sample, 59.4-60.7% reductions were observed. However, steam treatment primarily caused 17.1-26.7% reduction of total CGA and lactones in medium roasted arabica samples and 13.9-22.0% in canefora sample, while changes in trigonelline, caffeine, and other evaluated chemical parameters, including the volatile profiles were minimal. Increasing enzyme loads slightly elevated acidity. The only sensory changes observed by Q-graders and or consumers in treated samples were a modest increase in acidity when 3000 ASNU was used in the sample with lower acidity, loss of mild off-notes in control samples, and increased perception of sensory descriptors. The former was selected given the similarity in chemical outcomes among beans treated with 2000 and 3000 ASNU loads., 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 © 2024 Elsevier Ltd. All rights reserved.)

The utilization of coffee leaves in kombucha production has intrigued researchers; however, the lack of understanding regarding the characteristics of coffee leaf kombucha (CK) and its differentiation from black tea kombucha (BK) has impeded its application in the beverage industry. Therefore, this study aimed to characterize and compare the physiochemical properties, phytochemical compositions, antioxidant activity, and α-glucosidase inhibitory ability of kombucha prepared from the leaves of Coffea arabica (CK) and black tea (Camellia sinensis, BK) and their extracts (CT and BT). After fermentation, pH and the contents of total sugars, reducing sugars, and free amino acids of BK and CK were decreased, whereas the levels of total acids and organic acids, such as gluconic, lactic, and acetic acid were increased. Notably, the concentration of vitamin C in CK was 48.9% higher than that in BK. HPLC analysis exhibited that 5-caffeoylquinic acid in CT was significantly decreased by 48.0% in CK, whereas the levels of 3-caffeoylquinic acid and 4-caffeoylquinic acid were significantly increased after fermentation. The content of caffeine was significantly (p < 0.05) reduced by 9.5% and 22.0% in BK and CK, respectively, whereas the theobromine level was significantly increased in CK. Notably, CK has superior total phenolic and flavonoid contents and antioxidant activity than BK, whereas BK possesses higher α-glucosidase inhibitory capacity. Electronic nose analysis demonstrated that sulfur-containing organics were the main volatiles in both kombuchas, and fermentation significantly increased their levels. Our study indicates that coffee leaves are a promising resource for preparing kombucha. PRACTICAL APPLICATION: This article investigates the differences in physicochemical properties, bioactive constituents, antioxidant activity, and α-glucosidase inhibitory activity of kombucha preparation from black tea and coffee leaves. We have found that after fermentation BK had brighter soup color and higher α-glucosidase inhibitory capacity, whereas CK had higher levels of total phenols, flavonoids, vitamin C, and antioxidants and lower contents of sugars. This study provides valuable information for the preparation of CK with high-quality attributes and antioxidant activity., (© 2024 Institute of Food Technologists.)

In this work, a new ultra-performance liquid chromatography method based on photodiode array detection (UPLC-PDA) was first developed for the quantitative analysis of the quaternary mixture of ascorbic acid (AA), paracetamol (PAR), caffeine (CAF) and chlorpheniramine maleate (CPA) in a commercial dosage form. The developed UPLC-PDA method offered a new possibility for the co-determination of four active ingredients in a drug combination with short run time and simple sample preparation. The successful chromatographic separation of the four drugs was performed using a Waters Acquity UPLC BEH C18 column (1.7 µm 2.1 × 100 mm) (Mildford, USA) and a mobile phase consisting of water (12 %), acetonitrile (13 %) and 0.1 M H 3 PO 4 (75 %) at a flow rate of 0.25 mL/min. The validation of the proposed UPLC-PDA approach was verified by analyzing synthetic mixtures, inter- and intra-day experiments, and commercial powder samples and provided satisfactory results., 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 © 2024 Elsevier B.V. All rights reserved.)

Yerba Mate drink made from dried and crushed leaves and twigs of Paraguayan holly ( Ilex paraguariensis A. St.-Hil.), which is a valuable source of bioactive substances, in particular antioxidants. The available literature lacks data on changes in the content and profile of bioactive compounds such as tannins, caffeine, the phenolic acid profile of flavonoids and carotenoids, as well as total polyphenol content and antioxidant activity in Yerba Mate infusions depending on different brewing conditions, and how different brewing conditions affect the physicochemical properties of these infusions. Therefore, this study evaluated the physicochemical properties of dried and Yerba Mate infusions prepared via single and double brewing processes at 70 °C and 100 °C. The organoleptic evaluation, as well as the instrumental color measurement, showed significant changes in the total color difference (Δ E ) and the L * a * b * chromatic coordinates of dried Yerba Mate samples and their infusions. Moreover, the research showed higher contents of tannins (mean 1.36 ± 0.14 g/100 g d.m.), caffeine (mean 17.79 ± 3.49 mg/g d.m.), carotenoids (mean 12.90 ± 0.44 μg/g d.m.), phenolic acids (mean 69.97 ± 7.10 mg/g d.m.), flavonoids (mean 5.47 ± 1.78 mg/g d.m.), total polyphenols (mean 55.26 ± 8.51 mg GAE/g d.m.), and antioxidant activity (mean 2031.98 ± 146.47 μM TEAC/g d.m.) in single-brewed Yerba Mate infusions compared to double-brewed (0.77 ± 0.12 g/100 g d.m., 14.28 ± 5.80 mg/g d.m., 12.67 ± 0.62 μg/g d.m., 57.75 ± 8.73 mg/g d.m., 3.64 ± 0.76 mg/g d.m., 33.44 ± 6.48 mg GAE/g d.m. and 1683.09 ± 155.34 μM TEAC/g d.m., respectively). In addition, infusions prepared at a lower temperature (70 °C) were characterized by a higher content of total polyphenols and higher antioxidant activity, in contrast to the tannin and carotenoid contents, the levels of which were higher at 100 °C than at 70 °C. Considering the high amount of bioactive ingredients, in particular antioxidants, and a wide range of health benefits, it is worth including Yerba Mate in the daily diet.

The key components dominating the quality of green tea and black tea are still unclear. Here, we respectively produced green and black teas in March and June, and investigated the correlations between sensory quality and chemical compositions of dry teas by multivariate statistics, bioinformatics and artificial intelligence algorithm. The key chemical indices were screened out to establish tea sensory quality-prediction models based on the result of OPLS-DA and random forest, namely 4 flavonol glycosides of green tea and 8 indices of black tea (4 pigments, epigallocatechin, kaempferol-3-O-rhamnosyl-glucoside, ratios of caffeine/total catechins and epi/non-epi catechins). Compared with OPLS-DA and random forest, the support vector machine model had good sensory quality-prediction performance for both green tea and black tea (F1-score > 0.92), even based on the indices of fresh tea leaves. Our study explores the potential of artificial intelligence algorithm in classification and prediction of tea products with different sensory quality., 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 © 2024 Elsevier Ltd. All rights reserved.)

This work outlines the simultaneous estimation of the total phenolic and alkaloid contents in the tea samples by using catechin (C) and caffeine (CAF) oxidation signals at a non-modified boron-doped diamond (BDD) electrode. Two irreversible oxidation peaks, about + 1.03 (for C) and + 1.45 V (for CAF) vs Ag/AgCl in acetate buffer solution at pH 4.7, were seen in the cyclic voltammetric profile of the binary mixtures of C and CAF. In optimal conditions and utilizing the square-wave mode, the BDD electrode allows for simultaneous quantification of C and CAF within the concentration ranges of 5.0-100.0 µg mL -1 (1.72 × 10 -5 - 3.45 × 10 -3 mol/L) and 1.0-50.0 µg mL -1 (5.15 × 10 -6 - 2.57 × 10 -4 mol/L) respectively. The corresponding detection limits are 1.22 µg mL -1 (4.21 × 10 -6 mol/L) for C and 0.11 µg mL -1 (5.66 × 10 -7 mol/L) for CAF. Other phenolic compounds (like tannic acid, gallic acid, epicatechin, and epigallocatechin gallate) and other alkaloids (theophylline and theobromine) present in tea samples were examined for selectivity assessment. Ultimately, the applicability of the proposed approach was demonstrated by estimating the total phenolic and alkaloid contents in the black and green tea samples, expressed as C and CAF equivalents. The results obtained were contrasted against those acquired using UV-Vis spectrometry., 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.)

The extraction of valuable compounds from dried fruits and vegetables by microwave hydrodiffusion and gravity (MHG) requires previous hydration of the plant material. In this work, ultrasound was used to speed up the hydration of guarana powder before MHG extraction and increase caffeine recovery. The humidification step was speeded up with ultrasound taking only 15 min over 60 min without ultrasound. Water and 50% (v/v) ethanol were evaluated as green solvents for humidification, with a higher concentration of caffeine obtained for the hydroalcoholic solution. Ultrasound pretreatment allowed guarana extracts from MHG with two times more caffeine for both solvents evaluated. Therefore, ultrasound can be used in the hydration step before MHG extraction to reduce time and increase caffeine recovery from guarana powder.

The scientific literature indicates that there is a limited number of data on the content of bioactive components in coffees consumed "on the go". Therefore, this study examined the polyphenol and caffeine content of different types of coffee from franchise coffee shops, and the caffeine/total polyphenol ratio. The five most popular types of coffee purchased in six franchise coffee shops in Warsaw were analysed. A total of 120 coffee samples were tested. A significant positive (r = 0.7407, p < 0.001) correlation was found between the total polyphenol and caffeine content in all coffee types tested. Per unit volume, espresso coffee had the highest significant ( p < 0.005) average total polyphenol and caffeine contents (232.9 ± 63.9 mg/100 mL and 198.6 ± 68.3 mg/100 mL, respectively). After taking into account the coffee's serving size, a serving of Americano provided significantly ( p < 0.05) the most total polyphenol (average 223.5 ± 81.5 mg), while the highest caffeine content was provided by a serving of ice latte/latte frappe (average 136 ± 57.0 mg). The most favourable ratio of caffeine to total polyphenols (0.56) was found in a serving of Americano coffee; therefore, it seems that this coffee can be considered optimal in terms of the content of both compounds. These findings demonstrate that the polyphenol and caffeine contents of coffees offered in franchise coffee shops are closely related to the serving size.

Caffeine is present in a large number of beverages and is an additive used in dietary supplements. Therefore, the concern about its quality and safety for consumers has been increasing and hence requires faster and simpler analytical methods to determine the caffeine amount. The high-throughput analysis is an appropriate solution to pharmaceuticals, bioanalysis, forensic and food laboratory routines. In this sense, Venturi easy ambient sonic-spray ionization mass spectrometry (V-EASI-MS), a specific ambient ionization source, is suitable to enable direct analysis of sample solutions in real time and is appropriate to be coupled to liquid chromatography (LC). The development of an on-line solid phase extraction system coupled to V-EASI-MS optimizes the advantages of LC-MS hyphenation by enhancing the figures of merit of the analytical method according to AOAC guidelines and simultaneously minimizing the runtime analysis to 1.5 min per sample, as well as sample preparation steps and solvent consumption, which is currently a challenge for quantitative applications of ambient ionization MS.

Catechins, renowned for their antioxidant properties and health benefits, are commonly present in beverages, particularly tea and wine. An efficient and cost-effective salting-out assisted liquid-liquid extraction (SALLE) method has been developed and validated for the simultaneous determination of six catechins and caffeine in tea and wine samples using high-performance liquid chromatography-ultraviolet (HPLC-UV). This method demonstrates outstanding performance: linearity (1-120 µg/mL, r 2  > 0.999), accuracy (96.5%-103.4% recovery), and precision (≤14.7% relative standard deviation), meeting validation requirements set by the US Food and Drug Administration. The reduced sample size (0.1 g) minimizes matrix interferences and costs without compromising sensitivity. All analytes were detected in Camellia sinensis teas, with green tea displaying the highest total catechin content (47.5-100.1 mg/mL), followed by white and black teas. Analysis of wine samples reveals the presence of catechin in all red and white wines, and epigallocatechin gallate in all red wine samples, highlighting the impact of winemaking processes on catechin content. The SALLE-HPLC-UV approach represents a green alternative by eliminating organic waste, surpassing conventional dilution methods in specificity and sensitivity for catechin determination. AGREEprep assessment emphasizes the strengths of the SALLE procedure, including material reusability, throughput efficiency, minimal sample requirements, low energy consumption, and the absence of organic waste generation., (© 2024 Wiley‐VCH GmbH.)

Our study investigated the impact of nitrogen fertilization at 0, 150, 300, and 450 kg/ha on the non-volatile and volatile substances, as well as gene expression in fresh leaves from Lingtou tea plants. We found that applying nitrogen at 450 kg/ha notably increased total polyphenols (TPs) and free amino acids (AAs) while decreasing the TP to AA ratio (TP/AA) and total catechins (TC) contents. Chlorophyll, caffeine (CAF) and theanine accumulated to a greater extent with nitrogen application rates of 150, 300, and 450 kg/ha, respectively, six substances - TP, CAF, TC, theanine, epigallocatechin (EGC), and AA - as key contributors to the taste quality of LTDC. Additionally, five substances with variable importance in projections (VIP) ≥ 1 and odor activation values (OAV) ≥ 1, notably linalool and cis-linalool oxide (furanoid), significantly contributed to the tea's overall aroma. Furthermore, applying 300 kg/ha nitrogen upregulated the dihydroflavonol reductase (DFR)gene, likely causing catechin decrease., 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.)

Background: Human milk banks have been established to provide human milk to preterm infants who are unable to obtain milk from their mothers. Donor screening methods vary, and prospective donors are commonly screened for drug and recreational substance use through behavioral screening. Although the risk of illegal drug consumption in Japan is extremely low, caffeine may be consumed unknowingly and can be found in human milk. To date, only a few reports have been conducted on the concentration of caffeine in donor milk., Research Aim: This study aimed to examine the pre-pasteurization levels of caffeine in human milk donated to a milk bank in Japan., Methods: This was a cross-sectional, observational study of caffeine concentrations in human milk donated to a human milk bank in Japan. Caffeine concentration in the donor milk was measured using high-performance liquid chromatography., Results: Caffeine was detected in 70% of the donor milk samples ( N  = 350). The median (range) of caffeine concentration was 0.46 [< 0.10, 7.54] mg/L, and 64.0% of the samples had less than 1 mg/L of caffeine. The caffeine concentration varied widely among as well as within individuals., Conclusion: The average caffeine concentration in Japanese donor milk samples was higher than that previously reported in samples from Spain, but the range was similar. Donors should be informed that caffeine intake should be within a moderate range, to further increase the safety of donor milk., Competing Interests: Disclosures and Conflicts of InterestThe authors declared the following potential conflicts of interest with respect to the research, authorship, and/or publication of this article: KM received consulting fees from the Japan Human Milk Bank Association. NM and NN are employed by the Japanese Human Milk Bank Association.

Platinum nanoparticles supported by carbon nanotubes were obtained by a simple chemical route and used for preparation of electrochemical sensor towards caffeine determination. Carbon nanotubes were used before and after an acid treatment, yielding two different materials. Morphological and structural characterization of these materials showed platinum nanoparticles (size around 12 nm) distributed randomly along carbon nanotubes. Modified electrodes were directly prepared through a dispersion of these materials. Voltammetric studies in the presence of caffeine revealed an electrocatalytic effect of platinum oxides, electrochemically produced from the chemical oxidation of the platinum nanoparticles. This behavior was explored in the development a selective method for caffeine determination based on platinum oxide reduction at a lower potential value (+0.45 V vs. Ag/AgCl). Using the best set of experimental conditions, it was shown a linear relationship for the caffeine concentration ranging from 5.0 to 25 µmol L-1 with a sensitivity of 449 nA L µmol-1. Limits of detection and quantification of 0.54 and 1.80 µmol L-1 were calculated, respectively. Recovery values for real samples of caffeine pharmaceutical formulations between 98.6% and 101.0% (n = 3) were obtained using the proposed procedure. Statistical calculations showed good concordance (95% confidence level) between the added and recovery values.

The ever-stricter regulations on animal experiments in the field of cosmetic testing have prompted a surge in skin-related research with a special focus on recapitulation of the in vivo skin structure in vitro. In vitro human skin models are seen as an important tool for skin research, which in recent years attracted a lot of attention and effort, with researchers moving from the simplest 2-layered models (dermis with epidermis) to models that incorporate other vital skin structures such as hypodermis, vascular structures, and skin appendages. In this study, we designed a microfluidic device with a reverse flange-shaped anchor that allows culturing of an in vitro skin model in a conventional 6-well plate and assessing its barrier function without transferring the skin model to another device or using additional contraptions. Perfusion of the skin model through vascular-like channels improved the morphogenesis of the epidermis compared with skin models cultured under static conditions. This also allowed us to assess the percutaneous penetration of the tested caffeine permeation and vascular absorption, which is one of the key metrics for systemic drug exposure evaluation., (© 2024 IOP Publishing Ltd.)

The present study aimed to investigate the occurrence of caffeine residues in the Nile River according to drainage of treated wastewater at Assiut, Egypt, and the effects of physicochemical parameters and zinc on its concentration. Four different sites were selected to perform the study: S, wastewater treatment plant (WWTP) canal (source site); J, a junction site between WWTP canal and the Nile; R, a reference site in the Nile before J site; and A, a site located after J site in the Nile. Water and sediment samples were collected in Summer 2022 and Winter 2023. Caffeine and Zn concentrations and physicochemical parameters were measured in the collected samples. The caffeine concentrations in water samples ranged from 5.73 to 53.85 μg L -1 at S in winter and summer, respectively, while those in sediment ranged from 0.14 mg kg -1 at R in winter to 1.54 mg kg -1 at S in summer. Caffeine and Zn concentrations were higher in summer samples. The Water Quality Index (WQI) of the collected samples recorded the lowest values in winter season at S and J sites. The study found that caffeine and zinc concentrations are positively correlated with water temperature and conductivity, while negatively correlated with pH. The association between caffeine and Zn highlights the environmental impact of heavy metals and pharmaceutical residues, and stresses the need for future research on these interactions., (© 2024. The Author(s).)

Background: Coffee cultivation and agroindustry generate residues that are rich in several metabolites. These compounds, such as phenolic compounds and alkaloids, are known for their antioxidant activity and are usually consumed as nutraceuticals. The purpose of this study was to evaluate the occurrence of chemical and antioxidant components of low-pruned coffee stems under different fertilizer regimes. Extractives and lignin composition, histochemical, chromatographic, and antioxidant analyses were performed., Results: Multiple compounds were found to accumulate in the stems of coffee trees. Furthermore, the presence of phenolic compounds such as chlorogenic acid, vanillin, resveratrol, and the alkaloids caffeine and trigonelline varied depending on the type of fertilization. In all samples examined, optimal performance was observed at the highest tested concentration (500 μg mL -1 ). All samples analyzed presented a great performance at the highest concentration tested (500 μg mL -1 ), with the dose 70% and the dose 100%, which is the recommended for the culture, showing the highest values for most of the concentrations and the best half-maximal inhibitory concentration (IC 50 ) when compared with the other samples tested., Conclusion: As shown in the results, the reuse of stem residues as antioxidant material, with the potential to be profitable, and has the added benefit of providing a sustainable destination for material that until now has been underutilized. © 2023 Society of Chemical Industry., (© 2023 Society of Chemical Industry.)

Electrochemical measurements, which exhibit high accuracy and sensitivity under low contamination, controlled electrolyte concentration, and pH conditions, have been used in determining various compounds. The electrochemical quantification capability decreases with an increase in the complexity of the measurement object. Therefore, solvent pretreatment and electrolyte addition are crucial in performing electrochemical measurements of specific compounds directly from beverages owing to the poor measurement quality caused by unspecified noise signals from foreign substances and unstable electrolyte concentrations. To prevent such signal disturbances from affecting quantitative analysis, spectral data of voltage-current values from electrochemical measurements must be used for principal component analysis (PCA). Moreover, this method enables highly accurate quantification even though numerical data alone are challenging to analyze. This study utilized boron-doped diamond (BDD) single-chip electrochemical detection to quantify caffeine content in commercial beverages without dilution. By applying PCA, we integrated electrochemical signals with known caffeine contents and subsequently utilized principal component regression to predict the caffeine content in unknown beverages. Consequently, we addressed existing research problems, such as the high quantification cost and the long measurement time required to obtain results after quantification. The average prediction accuracy was 93.8% compared to the actual content values. Electrochemical measurements are helpful in medical care and indirectly support our lives., Competing Interests: The authors have declared that no competing interests exist., (Copyright: © 2024 Honda et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.)

Caffeine is the most widely consumed stimulant and is the subject of significant ongoing research and discussions due to its impact on human health. The industry's need to comply with country-specific food and beverage regulations underscores the importance of monitoring caffeine levels in commercial products. In this study, we propose an alternative technique for caffeine analysis that relies on mid-infrared laser-based photothermal spectroscopy (PTS). PTS exploits the high-power output of the quantum cascade laser (QCL) sources to enhance the sensitivity of the mid-IR measurement. The laser-induced thermal gradient in the sample scales with the analytes' absorption coefficient and concentration, thus allowing for both qualitative and quantitative assessment. We evaluated the performance of our experimental PTS spectrometer, incorporating a tunable QCL and a Mach-Zehnder interferometer, for detecting caffeine in coffee, black tea, and an energy drink. We calibrated the setup with caffeine standards (0.1-2.5 mg mL -1 ) and we benchmarked the setup's capabilities against gas chromatography (GC) and Fourier-transform infrared (FTIR) spectroscopy. Quantitative results aligned with GC analysis, and limits of detection matched the research-grade FTIR spectrometer, indicating an excellent performance of our custom-made instrument. This method offers an alternative to established techniques, providing a platform for fast, sensitive, and non-destructive analysis without consumables as well as with high potential for miniaturization.

This study explored the sensory characteristics, metabolites and antioxidant capability of aged Jinhua white tea (AJWT) over different years of aging and revealed the transformation mechanism of these characteristics during the long-term aging process. The flavor wheel of AJWT was constructed, and its unique flavor was dominated by mellowness, smoothness, a fungus fragrance, and a stale flavor. The high content of theabrownine, soluble sugar, flavonoids and 25 aroma components made important contributions to the formation of the unique flavor of the AJWT, and their content significantly increased during the long-term aging process of 5-10 years. This was related to the microbial bioconversion, the oxidative degradation of catechins, the hydrolysis of flavonosides and the decomposition of polysaccharides. Contrary to folk experience, AJWT had weak comprehensive antioxidant capacity, mainly due to its low content of tea polyphenols, catechin components and caffeine, which decreased significantly during the long-term aging of 5-10 years., 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.)

Pharmaceuticals and personal care products (PPCPs) are a group of emerging contaminants causing detrimental effects on aquatic living organisms even at low doses. To investigate the contamination characteristics and ecological risks of PPCPs in drains flowing into the Yellow River of Ningxia, 21 PPCPs were detected and analyzed using solid phase extraction and ultra-high performance liquid chromatography-mass spectrometry in this study. All 21 targeted compounds were detected in the drains, with total concentrations ranging from 47.52 to 1 700.96 ng·L -1 . Ciprofloxacin, acetaminophen, benzophenone-3, and diethyltoluamide were the more commonly detected compounds, with detection frequencies exceeding 80%. The five highest-concentration PPCPs were acetaminophen, diethyltoluamide, caffeine, benzophenone-3, and levofloxacin, with the maximum concentrations of 597.21, 563.23, 559.00, 477.28, and 473.07 ng·L -1 , respectively. Spatial analysis showed that the pollution levels of PPCPs in the drains of the four cities were different, with average concentrations of ∑PPCPs in the order of Yinchuan>Shizuishan>Wuzhong>Zhongwei. The total concentration of PPCPs before flowing into the Yellow River ranged from 124.82 to 1 046.61 ng·L -1 . Source analysis showed that livestock and poultry breeding wastewater was the primary source for sulfadiazine and oxytetracycline, whereas medical wastewater was the primary source for levofloxacin and ciprofloxacin. The primary sources of triclocarban and triclosan were domestic sewage and industrial wastewater, whereas the primary source of caffeine and diethyltoluamide was domestic sewage. The pollution of diciofenac, cimetidine, triclocarban, and triclosan in the drains was positively correlated with the regional population and economic development level. The ecological risk assessment indicated that levofloxacin, diclofenac, gemfibrozil, benzophenone-3, and triclocarban posed high risks to aquatic organisms in drains flowing into the Yellow River. It is worthwhile to consider the mixture risk of the PPCPs that exhibited high risk at most sampling sites.

The consumption of energy drinks poses significant risks to minors' health, and strict regulations are urgently needed to protect them. The high caffeine, high sugar, and high caloric content of energy drinks have drawn concern from health professionals. The consumption of energy drinks has been linked to unhealthy dietary behaviors, obesity, and mental health problems in adolescents. The psychoactive and stimulant effects of energy drinks are particularly worrisome, and the marketing of these drinks on social media platforms is also a cause for alarm. In light of these concerns, we strongly recommend policy measures, such as restrictions on the sale of energy drinks to minors, to prevent their health risks. The evidence clearly suggests that energy drinks pose significant risks to minors' health and well-being, and regulatory standards must be implemented without further delay., Competing Interests: Declaration of competing interest The authors reported no potential conflict of interest., (Copyright © 2024 Elsevier Inc. All rights reserved.)

Background and Aim: Although diet is one of the potential environmental factors affecting ulcerative colitis (UC), evidence is not sufficient to draw definitive conclusions. This Japanese case-control study examined the association between the consumption of coffee, other caffeine-containing beverages and food, and total caffeine and the risk of UC., Methods: The study involved 384 UC cases and 665 control subjects. Intake of coffee, decaffeinated coffee, black tea, green tea, oolong tea, carbonated soft drinks, and chocolate snacks was measured with a semiquantitative food-frequency questionnaire. Adjustments were made for sex, age, pack-years of smoking, alcohol consumption, history of appendicitis, family history of UC, education level, body mass index, and intake of vitamin C, retinol, and total energy., Results: Higher consumption of coffee and carbonated soft drinks was associated with a reduced risk of UC with a significant dose-response relationship (P for trend for coffee and carbonated soft drinks were <0.0001 and 0.01, respectively), whereas higher consumption of chocolate snacks was significantly associated with an increased risk of UC. No association was observed between consumption of decaffeinated coffee, black tea, green tea, or oolong tea and the risk of UC. Total caffeine intake was inversely associated with the risk of UC; the adjusted odds ratio between extreme quartiles was 0.44 (95% confidence interval: 0.29-0.67; P for trend <0.0001)., Conclusions: We confirmed that intake of coffee and caffeine is also associated with a reduced risk of UC in Japan where people consume relatively low quantities of coffee compared with Western countries., (© 2023 Journal of Gastroenterology and Hepatology Foundation and John Wiley & Sons Australia, Ltd.)

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 (bothp < 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., 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.)

This study assessed the occurrence of five antibiotics, three hormones, caffeine, and long and short-chain perfluoroalkyl and polyfluoroalkyl substances (PFASs) in surface water and feedstuff samples obtained from aquaculture cages in Três Marias reservoir in Brazil. This is the first work to evaluate the presence of PFAS in surface water used for aquaculture in Brazil. Solid-phase extraction and low temperature partitioning extraction followed by liquid chromatography coupled to mass spectrometry (LC-MS) were performed to process and analyze surface water samples and feedstuff, respectively. The ecotoxicological risk quotient was calculated for target compounds detected in water. Ciprofloxacin and caffeine were detected in all surface water samples. Pharmaceutical drugs ranged from 0.7 ng L -1 (trimethoprim) to 389.2 ng L -1 (β-estradiol). Estrone (10.24 ng g -1 ) and β-estradiol (66.20 ng g -1 ) were also found in feedstuff. Four PFASs (PFOA, PFDoA, PFTeDA, and PFBS) were detected (9.40-15.2 μg L -1 ) at levels higher than reported in studies conducted worldwide. Ecotoxicological risk assessment indicated high risks for caffeine and PFOA, PFDoA, and PFTeDA with RQ values from 10 to 10 3 . These findings reveal risks to biodiversity, ecosystem integrity and human health considering possible intake of these contaminants by fish consumption due to potential bioaccumulation of these substances. Hence, it is critical to conduct more studies in this direction in Brazil and other low and middle-low-income countries., 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 © 2024. Published by Elsevier Ltd.)

The growing interest in health and well-being has spurred the evolution of functional foods, which provide enhanced health benefits beyond basic nutrition. Guaraná seeds ( Paullinia cupana ) have been widely studied and used as a functional food due to their richness in caffeine, phenolic compounds, amino acids, and other nutrients. This has established guaraná as a significant food supplement, with Brazil being the largest producer of the world. This study aims to propose a set of analytical methods to chemically evaluate fifty-six different guaraná clones, from the Guaraná Germplasm Active Bank, to accommodate the diverse requirements of the food industry. Metabolomic approaches were employed, in which a non-target metabolomic analysis via UPLC-QTOF-MS E led to the annotation of nineteen specialized metabolites. Furthermore, targeted metabolomics was also used, leading to the identification and quantification of metabolites by NMR. The extensive data generated were subjected to multivariate analysis, elucidating the similarities and differences between the evaluated guaraná seeds, particularly concerning the varying concentration levels of the metabolites. The metabolomics approach based on the combination of UPLC-QTOF-MS E , NMR and chemometric tools provided sensitivity, precision and accuracy to establish the chemical profiles of guaraná seeds. In conclusion, evaluating and determining the metabolic specificities of different guarana clones allow for their application in the development of products with different levels of specific metabolites, such as caffeine. This caters to various purposes within the food industry. Moreover, the recognized pharmacological properties of the annotated specialized metabolites affirm the use of guarana clones as an excellent nutritional source.

A reconnaissance survey was undertaken to evaluate the occurrence and risks of 27 pharmaceuticals and metabolites in the St. Lawrence watershed. Surface water samples were collected over a five-year period (2017-2021) along a 700-km reach of the St. Lawrence River as well as 55 tributary rivers (overall N = 406 samples). Additionally, depth water samples and sediments were collected near a major wastewater effluent. Caffeine, diclofenac, and venlafaxine were the most recurrent substances (detection rates >80 %), and extremely high levels were found near a municipal effluent (e.g., ibuprofen (860 ng/L), hydroxyibuprofen (1800 ng/L) and caffeine (7200 ng/L)). Geographical mapping and statistical analyses indicated that the St. Lawrence River water mass after the Montreal City effluent was significantly more contaminated than the other water masses, and that contamination could extend up to 70 km further downstream. This phenomenon was repeatedly observed over the five years of sampling, confirming that this is not a random trend. A slight increase in contamination was also observed near Quebec City, but concentrations rapidly declined in the estuarine transition zone. Tributaries with the highest pharmaceutical levels (ΣPharmas ∼400-900 ng/L) included the Mascouche, Saint-Régis, and Bertrand rivers, all located in the densely populated Greater Montreal area. When flowrate was factored in, the top five tributaries in terms of mass load (ΣPharmas ∼200-2000 kg/year) were the Des Prairies, Saint-François, Richelieu, Ottawa, and Yamaska rivers. All samples met the Canadian Water Quality Guideline for carbamazepine. Despite the large dilution effect of the St. Lawrence River, a risk quotient approach based on freshwater PNEC values suggested that four compounds (caffeine, carbamazepine, diclofenac, and ibuprofen) could present intermediate to high risks for aquatic organisms in terms of chronic exposure., 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 B.V. All rights reserved.)

A UV-HPLC method optimized by Box-Behnken design model was developed to determine caffeine in pharmaceutical preparations and urine samples. The chromatographic conditions followed were mobile phase: methanol/water/ citrate buffer (pH 4.6) (40:25:35, v/v/v),Acclaim TM Dionex C18 column (ODS 100A˚, 5 µm; 4.6 × 250 mm),flow rate (0.9 mL min -1 ), column temperature (30 °C) and UV-detection wavelength (204 nm). The chromatographic variables: pH (A), % methanol fraction (B), flow rate(C) and column temperature (D) were optimized at 50 μg mL -1 caffeine using BBD model. The chromatogram resulted in the asymmetry factor (1.23), theoretical plate 13,786 and retention time (5.79 min). The proposed HPLC method's greenness point was assessed byAnalytical Eco-scale and found to be 78 (as per guidelines, ranked as excellent). The linearity was ranged from2.0 to 70 µg mL -1 with coefficient of correlation (r = 0.999) and detection limit of 0.19 µg mL -1 . The proposedmethod was developed successfully and applied for the assay of active caffeine in pharmaceutical preparations and urine samples. The % recovery obtained by both (proposed and reference) methods ranged from 99.98 to 100.05 % followed the compliance (100 ± 2 %) with Canadian Health Protection regulatory guidelines. The performance of the proposed method was compared with published papers and found to be acceptable and superior. The proposed method was quite effective as the reference method, and hence can be used as an alternative method for the assay of active caffeine in pharmaceutical preparations and urine samples., 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 © 2024 Elsevier B.V. All rights reserved.)

The study introduces a methodology that utilizes data-driven approaches to optimize coffee drying operations. This is achieved through the integration of ambient sensor data and chemical analysis. This statement underscores the significance of temperature regulation, humidity levels, and light intensity within the context of coffee production. There exists a positive correlation between elevated temperatures and increased rates of drying, but humidity has a role in determining the duration of the drying process and the preservation of aromatic compounds. The significance of light intensity in dry processing is also crucial, since excessive exposure can compromise both the taste and quality of the product. The findings of chemical investigations demonstrate a correlation between environmental factors and the composition of coffee. Specifically, increased temperatures are associated with higher quantities of caffeine, while the concentration of chlorogenic acid is influenced by humidity levels. The research additionally underscores the variations in sensory characteristics among various processing techniques, underscoring the significance of procedure choice in attaining desirable taste profiles. The integration of weather monitoring, chemical analysis, and sensory assessments is a robust approach to augmenting quality control within the coffee sector, thereby facilitating the provision of great coffee products to discerning consumers., Competing Interests: The authors have declared that no competing interests exist., (Copyright: © 2024 Jakkaew et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.)

During the Belle Epoque, the use of cocaine, well known to the South American populations, spread among the European elite in the form of a tonic drink created from coca leaves macerated in Bordeaux wine, the Mariani wine. Nowadays, bottles in circulation are extremely rare but the investigations of a Parisian historian led him to the discovery of a bottle of wine that belonged to Angelo Mariani's estate at the end of the 19th century. Our laboratory was asked to analyse the contents of the bottle in order to search for the main active compounds and to estimate the state of preservation. The analysis of the centenarian product collected was aimed at identifying the alcohols and solvents by HS-GC/FID and HS-GC/MS after dilution in water, and the main alkaloids contained in all the samples by LC-HRMS screening and LC-MS/MS quantification. The Mariani wine presented an alcohol content of 15.7°. The screening and the subsequent dosage revealed the following substances: cocaine (86 ng/mL), benzoylecgonine (383 ng/mL), cocaethylene (17 ng/mL), ecgonine methyl ester (130 ng/mL), caffeine, cuscohygrine, cinnamoylcocaine and synephrine. The alkaloids found in the Mariani wine confirm the real presence of coca leaves in this drink. Their low concentrations may indicate drug instability. The presence of cocaethylene demonstrates that it can be formed without passing through the liver, which was supposed to be the site of production when cocaine and ethanol are present in the body at the same time. These appear to be the first report in the literature presenting the analysis of Mariani wine with the dosage of cocaine derivatives., 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 B.V. All rights reserved.)

Although there has been a surge of interest in research focused on the presence of pharmaceuticals in the marine environment, study on the distribution and risks of pharmaceuticals in coastal waters remains inadequately documented due to the specific features of the marine environment, such as strong dilution, high salinity, and complex hydrodynamics. In this study, thirty pharmaceuticals with diverse physicochemical properties were analyzed in a coastal sea with low hydrodynamic energy caused by various artificial structures. The results indicate that 14 compounds were detected in seawater, with concentrations ranging from <1 to 201.4 ng L -1 , among which caffeine, metoprolol, and atenolol were detected at high levels. Statistical analysis reveals the prevalence of the most target pharmaceuticals with downward trends in concentrations from estuary to offshore region, demonstrating the significant impacts of riverine inputs on the coastal water. Nevertheless, the distribution patterns of caffeine and atenolol were intricate, suggesting that they may have also originated from other unknown sources. A newly-developed method combining risk quotient (RQ) and species sensitivity distribution (SSD) models was used in ecological risk assessment. The results indicate generally higher risks of target pharmaceuticals in the estuary compared to the offshore region, with caffeine, carbamazepine, and norfloxacin identified as the top three priority pollutants., 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 B.V. All rights reserved.)

This study proposed an integrated and automated procedure to extract, separate, and quantify bioactive compounds from a coffee co-product by pressurized liquid extraction (PLE) coupled inline with solid phase extraction (SPE) and online with HPLC-PDA (PLE-SPE × HPLC-PDA). The efficiency of the two-dimensional system in performing real-time analysis was verified by comparing HPLC-PDA results acquired by the system (online) and carried out after the extract fraction collection (offline). Different flow rates (1.5 mL/min for 336 min, 2 mL/min for 246.4 min, and 2.5 mL/min for 201.6 min) were evaluated to optimize the extraction, separation, and analysis method by PLE-SPE × HPLC-PDA. Subcritical water at 125 °C and 15 min of static time allowed the highest extraction yields of caffeine and 5-caffeoylquinic acid (5-CQA). Caffeine was retained during the aqueous extraction in the SPE adsorbent and eluted from the column by exchanging the solvent for a hydroethanolic mixture. Thus, caffeine was separated from 5-CQA and other phenolic compounds, producing extracts with different compositions. The solvent flow rate did not have a significant effect (p-value ≥ 0.05) on the extraction, separation, and analysis (by online and offline methods) of 5-CQA. However, the online quantification of retained compounds in the SPE (i.e., caffeine) can underestimate concentration compared to offline analysis. Nevertheless, the results suggest that coupling of advanced techniques can be used to efficiently extract, separate, and analyze fractions of phenolic compounds, supplying an integrated method to produce high-added value ingredients for several applications., 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.)

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., 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. Published by Elsevier Ltd.)

Shaking and tumbling are extremely important for the formation of the special flavor of Wuyi rock tea. In this study, we analyzed the effects of different shaking and tumbling degrees on the quality index content of tea leaves and determined changes in gene expression in tea leaves using RNA sequencing technology. On this basis, the correlation between gene expression intensities in tea leaves and tea quality index content was analyzed. The results showed that heavy shaking and tumbling (MW3) increased gene expression of metabolic pathways, biosynthesis of secondary metabolites, starch and sucrose metabolism, biosynthesis of amino acids, glycine, serine, and threonine metabolism, alpha-linolenic acid metabolism pathways and decreased gene expression of flavonoid biosynthesis, carbon fixation in photosynthetic organisms, phenylpropanoid biosynthesis, and plant hormone signal transduction pathways in tea leaves, which in turn increased the content of caffeine, soluble sugar, amino acid and decreased the content of flavone, tea polyphenol, catechin component in tea leaves; the opposite was true for light shaking and tumbling. Second, this study found that MW3 was more beneficial in improving the mellowness, sweetness, and fresh and brisk taste of tea leaves and reducing the bitterness of tea leaves. This study provides some references to guide the processing of Wuyi rock tea with different flavors. PRACTICAL APPLICATION: Heavy shaking and tumbling was more beneficial in improving the mellowness, sweetness, and fresh and brisk taste of tea leaves and reducing the bitterness of tea leaves. Therefore, the degree of shaking and tumbling in Wuyi production can be appropriately improved to produce high-quality tea and improve the economic benefits of tea., (© 2023 Institute of Food Technologists.)

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., 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.)