Profile Of Compounds Research Articles

Assessing the impact of bacterial blends, crosslinking enzyme and storage times on volatile and non-volatile compound production in fermented pea protein emulsion gels

Pea protein is a promising ingredient for plant-based cheese production but has poor consumer acceptance due to intrinsic beany flavors. Fermentation could potentially decrease these off-flavors while also producing desirable cheese-like aromas. Pea protein emulsion gels were fermented using four different bacterial blends for 16 weeks with and without the crosslinking enzyme transglutaminase. The volatile organic compound (VOC) profiles were assessed by GC–MS and the peptide profile was measured by LC-MS/MS during storage. VOC production was mainly affected by the composition of the bacterial blends, followed by storage time. Crosslinking of the protein gel structure had minimal impact on VOC production. The peptide-level profiling revealed that crosslinking can reduce peptide size and the production of bitterness-like peptides in some blends. This study provides insights into the effect of bacterial blends, storage time, and enzymatic crosslinking on the production of volatile components and peptides related to aroma and peptide profiles for pea protein.

Peat-based amendment of soils reduces the complexity of the volatile profile in cultivated black truffles.

Truffle cultivation is evolving rapidly and new agronomic practices such as 'truffle nests' (localized peat amendments of the orchard soil) are being developed. Truffle nests improve the shape of truffles and their depth in the soil and reduce the occurrence of insect damage but have also raised concerns about their impact on the ripeness and maturity of the harvested truffles. In this study, the effect of the nests on the volatile organic compounds profile and the aromatic profile of black truffles was evaluated, as well as the existence of perceptible sensorial differences in truffles. For this, truffles growing in nests were compared with truffles growing in the bulk soil of the same host tree. Gas chromatography showed that nest truffles had a less complex volatile organic compound profile than bulk-soil truffles. Olfactometry indicated that nest truffles were associated with higher modified frequency values of odorants corresponding to sulfur-containing compounds. Despite this, sensory evaluation with consumers could not clearly show that nest truffles can be distinguished sensorially from bulk-soil truffles. The results prove that soil conditions can influence the aromatic profile of truffles and thus suggest the possibility of managing truffle aroma using agronomic practices. © 2024 The Author(s). Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.

Investigation of non-volatile and volatile compound profiles in Arabica coffee extracts and neurophysiological effects of different chemosensory stimulation according to sex: Insights from electronic sensors, EEG, and sLORETA approaches

This study investigated the non-volatile and volatile compound profiles of coffee extracts, as well as the neurophysiological effects of coffee inhalation and drinking. Non-volatile compounds, including caffeine and chlorogenic acid, were identified, and taste-related properties were investigated using an electronic tongue (E-tongue). Sourness, bitterness, and saltiness predominated in coffee extracts. 2-Furanmethanol, benzene ethanol, nonanal, and pyridine were found to be responsible for coffee odors using electronic nose (E-nose) and gas chromatography–mass spectrometry-olfactometry (GC–MS-O). Neurophysiologically, inhalation of volatiles in coffee differentially activated fast alpha and low-beta waves in both male (Brodmann areas (BA) 20, 21, 22, 36, and 37) and female (BA 9, 27, 30 35, 44, and 45) participants. However, drinking coffee extracts activated the mid-beta wave equally in both sexes (BA 2, 3, and 40). Accordingly, this study is expected to serve as a primary reference for the effects of coffee inhalation and drinking.

Drying Methods of Duck Blood: Changes in Volatile Components and Physicochemical Properties

This study investigated the physicochemical properties and volatile components of duck blood powder to determine its quality characteristics based on drying methods. The drying methods of duck blood samples used were freeze drying (FD), hot air drying (HD), spray drying (SD), and vacuum drying (VD). Duck blood powder treated with HD presented the lowest lightness and the highest carbonyl content. The VD-treated powder exhibited the highest water activity and redness. The composition of volatile compounds in duck blood varied based on the drying method, with VD presenting the highest total relative concentration but the least number of identified compounds. The most abundant compound was d-limonene, which was found in all the samples, followed by hexanal in VD and SD, p-xylene in FD, and trimethylamine in HD. Principal component analysis and heatmap analysis demonstrated that duck blood samples processed using different drying methods exhibited distinct volatile compound profiles, with HD, FD, SD, and VD samples associated with specific chemical groups. Multiple factor analysis revealed distinct correlations between drying methods and the physicochemical properties of duck blood, with VD samples showing higher water activity, aldehydes, and ketones, whereas HD samples exhibited increased carbonyl content and acids, highlighting the influence of heat on protein oxidation. VD method, therefore, presents excellent characteristics in terms of time and quality during the powdering process to increase the industrial utilization of duck blood. These findings provide valuable insights for the food industry, enabling the selection of appropriate drying methods that preserve the desired qualities of duck blood, thereby enhancing its commercial viability and potential application in a variety of food products.

Characterization of volatile compounds profiles and identification of key volatile and odor-active compounds in 40 sweetpotato (Ipomoea Batatas L.) varieties

Sweetpotato with different flesh colors exhibits significant differences in flavor. Nevertheless, research on the identification of the key aromatic compounds in sweetpotato is scarce. Therefore, 40 primary sweetpotato varieties with different flesh colors were analyzed by HS-SPME/GC–MS to characterize the volatile compounds. A total of 121 volatile compounds were detected, with aldehydes, furans and terpenes being the most abundant components. Additionally, 35 compounds were identified as the key aromatic compounds by OAV > 1, of which 17 were found in all varieties and hence considered as the major components of sweetpotato aroma. Further analysis demonstrated that the yellow-fleshed sweetpotato had the strongest aroma, which was presumed due to the aldehydes like (E,E)-2,4-heptadienal, nonanal, (E,E)-2,4-decadienal,etc. that were produced during the degradation of unsaturated fatty acids. The unique sweety and floral aroma of orange-fleshed sweetpotato might be attributed to apocarotenoid volatiles (trans-beta-ionone, β-ionone, geranylacetone, etc.), the derivates of carotenoids. The purple-fleshed sweetpotato exhibited weak aroma with a significantly high terpenoids concentration. Overall, these findings may be the main reason for the different aromas of different colored sweetpotatoes and provides insights into sweetpotato aroma and a theoretical basis for improving sweetpotato aroma.

Multimodal Approaches Based on Microbial Data for Accurate Postmortem Interval Estimation.

Accurate postmortem interval (PMI) estimation is critical for forensic investigations, aiding case classification and providing vital trial evidence. Early postmortem signs, such as body temperature and rigor mortis, are reliable for estimating PMI shortly after death. However, these indicators become less useful as decomposition progresses, making late-stage PMI estimation a significant challenge. Decomposition involves predictable microbial activity, which may serve as an objective criterion for PMI estimation. During decomposition, anaerobic microbes metabolize body tissues, producing gases and organic acids, leading to significant changes in skin and soil microbial communities. These shifts, especially the transition from anaerobic to aerobic microbiomes, can objectively segment decomposition into pre- and post-rupture stages according to rupture point. Microbial communities change markedly after death, with anaerobic bacteria dominating early stages and aerobic bacteria prevalent post-rupture. Different organs exhibit distinct microbial successions, providing valuable PMI insights. Alongside microbial changes, metabolic and volatile organic compound (VOC) profiles also shift, reflecting the body's biochemical environment. Due to insufficient information, unimodal models could not comprehensively reflect the PMI, so a muti-modal model should be used to estimate the PMI. Machine learning (ML) offers promising methods for integrating these multimodal data sources, enabling more accurate PMI predictions. Despite challenges such as data quality and ethical considerations, developing human-specific multimodal databases and exploring microbial-insect interactions can significantly enhance PMI estimation accuracy, advancing forensic science.

Sensory Characteristics and Volatile Organic Compound Profile of Wild Edible Mushrooms from Patagonia, Argentina.

The Andean-Patagonian forests of South America offer a great variety of wild edible mushrooms, many with ancestral use and others linked to new mycogastronomic offers. However, their sensory properties and detailed characterizations have not yet been deeply explored and described, nor have their alterations due to cold storage. The aims of this work were to perform a sensory characterization through a trained panel evaluation, perform target volatile compounds analysis and evaluate post-harvest preservation methods effects on nine species of wild edible mushrooms with different trophic habits (Cortinarius magellanicus, Panus dusenii, Fistulina antarctica, F. endoxantha, Gloeosoma vitellinum, Grifola gargal, Lepista nuda, Ramaria patagonica, and Cyttaria hariotii). The sensory description of dehydrated specimens through quantitative descriptive analysis showed that panelists were a significant source of variation; F. antarctica and R. patagonica registered distinct sweet flavor/spice odor and wood/sweet flavor, respectively, and different textures. Refrigeration produced a rapid loss of sensory characteristics, whereas freezer conservation satisfactorily maintained the characteristics in F. anctartica, R. patagonica, G. vitellinum, and C. hariotti for at least four months. A total of 60 target volatile organic compounds were detected, corresponding to grass, mushroom, alkane, and pungent odors in F. anctartica, R. patagonica, and G. vitellinum. The detailed sensory characterization and post-harvest conservation options of these novel products constitute crucial information to promote their sustainable use and local development through innovative activities linked to tourism, such as mushroom gastronomy and mycotourism.

The Profile of Phenolic Compounds Identified in Pitaya Fruits, Health Effects, and Food Applications: An Integrative Review.

This integrative review aimed to identify the phenolic compounds present in pitayas (dragon fruit). We employed a comprehensive search strategy, encompassing full-text articles published between 2013 and 2023 in Portuguese, English, and Spanish from databases indexed in ScienceDirect, Capes Periodics, Scielo, and PubMed. The study's selection was guided by the question, "What are the main phenolic compounds found in pitaya fruits?". After screening 601 papers, 57 met the inclusion criteria. The identified phytochemicals have been associated with a range of health benefits, including antioxidant, anti-inflammatory, and anxiolytic properties. Additionally, they exhibit promising applications in the management of cancer, diabetes, and obesity. These 57 studies encompassed various genera, including Hylocereus, Selenicereus, and Stenocereus. Notably, Hylocereus undatus and Hylocereus polyrhizus emerged as the most extensively characterized species regarding polyphenol content. Analysis revealed that flavonoids, particularly kaempferol and rutin, were the predominant phenolic class within the pulp and peel of these fruits. Additionally, hydroxycinnamic and benzoic acid derivatives, especially chlorogenic acid, caffeic, protocatechuic, synaptic, and ellagic acid, were frequently reported. Furthermore, betalains, specifically betacyanins, were identified, contributing to the characteristic purplish-red color of the pitaya peel and pulp. These betalains hold significant potential as natural colorants in the food industry. Therefore, the different pitayas have promising sources for the extraction of pigments for incorporation in the food industry. We recommend further studies investigate their potential as nutraceuticals.

Synthesis, structural, spectroscopic (NMR, FT-IR and UV–Vis), NLO, in silico (ADMET and molecular docking) and DFT investigations of a flavonol derivative 2-(4-chlorophenyl)-7-fluoro-3-hydroxy-4H-chromen-4-one

The geometric, spectroscopic and electronic features of the newly synthesized 3-Hydroxy-2-(4-chlorophenyl)-7-fluoro-4H-chromen-4-one have been analyzed using a combination of single crystal XRD, FT-IR, NMR shifts, and UV–Vis. spectroscopic methods both experimentally and theoretically. The molecule has crystallized in orthorhombic space group Pca21 and it has stabilized with CH···O, OH···O intra-molecular and OH···O inter-molecular interactions. The geometric parameters (bond lengths and bond angles), vibrational wavenumbers, 1H and 13C NMR chemical shifts, UV–Vis. electronic transitions, the HOMO (highest occupied molecular orbital) and the LUMO (lowest unoccupied molecular orbital) analyses, NLO (non-linear optical properties) and the MEP (molecular electrostatic potential) surface have been computed by using the DFT/B3LYP quantum chemical method with 6–311++G(d,p) level of theory to compare with the experimental findings. Absorption bands of the molecule have computed around 300 and 360 nm, while observed at 244, 312 and 344 nm in the experimental UV–Vis. spectrum. Moreover, the mean polarizability value of the compound has been calculated 6.47 times greater than urea. The objective of the in silico investigation was to ascertain the biological effect profile of the title compound. The ADMETlab 2.0 web service has been employed to analyze the physicochemical, medicinal chemistry, metabolism, distribution, absorption, excretion and toxicity features of the compound. Its protein kinase CK2 inhibitory activity for the target macromolecule 5M4U has been investigated by means of a molecular docking study to investigate the anti-cancer activity of our flavonol derivative compound.

Enhancing Antioxidant Activity from Aquatic Plant Cymodocea nodosa for Cosmetic Formulation Through Optimized Ultrasound-Assisted Extraction Using Response Surface Methodology

This study aimed to enhance antioxidant extraction from the aquatic plant Cymodocea nodosa for cosmetic formulation through optimized ultrasound-assisted extraction using response surface methodology. The optimized conditions—30 min of extraction time, 30% ultrasonic power, and 25% hydro-ethanolic solvent—resulted in a high total phenolic content of 113.07 mg EAG/g DM and antioxidant activity of 67.02%. Chromatographic analysis revealed a rich profile of phenolic compounds, including sinapic acid (0.741 mg/g), myricetin (0.62 mg/g), and quercetin-3-O-rutinoside (0.3 mg/g), demonstrating the extract’s potent therapeutic properties. While the extract exhibited limited anti-inflammatory activity, it showed no cytotoxic effects on RAW 267.4 cells, ensuring its safety for cosmetic applications. The formulated cream maintained stable pH (6.58 to 6.6), consistent viscosity (5966.38 to 5980.6 cp), and minimal color changes over a 30-day period, indicating robust stability across various temperatures (4 °C, 25 °C, and 40 °C). These results confirm the potential of C. nodosa extracts to develop effective, stable, and eco-friendly cosmetic products, offering substantial benefits for skin health and emphasizing the importance of sustainable extraction processes in the cosmetics industry.

Essential Oils from the Leaves and Stem Barks of Pluchea Indica (L.) Less.: Chemical Analysis, Cytotoxicity, Anti-inflammation, Antimicrobial Activity, Molecular Docking, and ADMET Profiling.

Pluchea indica (L.) Less. is a medicinal plant native to Asia. Traditionally, it is known for numerous traditional uses, such as treatments for fever, cough, and digestive issues. The present investigation aims to determine the chemical compositions of essential oils from its fresh leaves and stem barks. By using hydro-distillation and the GC-FID/MS (gas chromatography-flame ionization detection/mass spectrometry) analysis, the studied samples were dominated by sesquiterpene hydrocarbons (76.8-82.2 %) and their oxygenated derivatives (8.4-19.0 %). β-Selinene (42.0-43.5 %) and silphinene (21.1-22.9 %) were the main compounds. Significantly, the stem bark essential oil strongly monitored the growth of four cancer cell lines K562, HeLa, HepG2, and MCF-7 with IC50 values of 2.89-7.34 μg/mL. Both studied samples showed strong anti-inflammatory activity against NO (nitric oxide) production with IC50 values of 21.81-23.18 μg/mL. The studied sample also exhibited antimicrobial activity at different levels. The molecular docking study revealed that β-selinene exhibited the strongest binding affinity for all four cancer-related protein targets: epidermal growth factor receptor (EGFR), human epidermal growth factor receptor 2 (HER2), Abelson tyrosine-protein kinase 1 (ABL1), and phosphatidylinositol 3-kinase (PI3 K-α). The ADMET profiles of the major compounds were also predicted to provide insights for further research considerations.

Edible caterpillars (Gonimbrasia belina and Gynanisa maja) as emerging source of nutrients and bioactive compounds

Globally, despite the commercial and cultural importance of edible caterpillars (Gynanisa maja and Gonimbrasia belina), comprehensive information on their dietary and therapeutic benefits has not been fully explored. The study was aimed at evaluating the nutritional composition and bioactive compounds profile of two important edible caterpillars (Gonimbrasia belina and Gynanisa maja) in Africa. Our results demonstrated that G. belina and G. maja are capable of amplifying host plant protein (17 %) by 4.3-folds [72.8 %] and 3.6-folds [61.3 %], respectively. Lysine (32.6 mg/g), methionine (12.5–27.1 mg/g) and valine (7.7–25.4 mg/g) value were significantly harnessed. Substantial amounts of ω−3 fatty acids (methyl 5Z,8Z,11Z,14Z,17Z-eicosapentaenoate and methyl 9Z,12Z,15Z-octadecatrienoate), minerals [iron (3.6–21.2 mg/100 g), zinc (7.1–17.3 mg/100 g), calcium (55.1–60.4 mg/100 g)] and vitamins [retinol (0.02–0.03 mg/kg), γ tocopherol (0.05–0.07 mg/kg) and α-tocopherol (1.2 mg/kg)] were detected. Important phytochemical [flavonoids: rutin (7.8–20.4 ng/g), quercetin (7.2–9.0 ng/g), luteolin (7.4–7.5 ng/g), apigenin (20.8–28.6 ng/g) and kaempferol (3.3–6.5 ng/g)] and phytosterols [stigmasta-3,5-diene, campesterol and sitosterol] were identified. These findings suggests that both edible caterpillars contain sufficient nutrients and therapeutic compounds, which when integrated into human food products, either whole, in-part, or processed will greatly contribute towards countering nutritional insecurity and improve livelihoods of people in many countries.

Functional, Antioxidant, Antibacterial, and Antifungal Activity of Edible Flowers.

Edible flowers have been used since ancient times, but their potential for improving human health has not been explored. This study aimed to evaluate the profile of bioactive compounds (organic acids, phenolics, and carotenoids) and the antioxidant and antimicrobial activity of nine flower varieties with high concentrations of carotenoids or total phenolic compounds. Ninety-three edible flowers were analysed for physicochemical characteristics, total phenolic and carotenoid concentrations, and antioxidant activity (ABTS). Bioactive profiles were determined by rapid resolution liquid chromatography (RRLC), and antimicrobial activity was determined against Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa and Streptococcus mutans, and Candida albicans and Candida tropicalis. Chrysanthemum x hybrid orange, Helianthus annuus yellow, Tagetes patula orange, Canna indica red, and Hibiscus rosa-sinensis (orange1 and yellow) showed significant concentrations of total carotenoids. In contrast, Pelargonium hortorum orange2, Hibiscus rosa-sinensis red1, and Rosa x hybrid variety medium yellow showed high levels of total phenolics. The predominant compounds in these species were citric acid (991.4 mg/g DW in Hibiscus rosa-sinensis red1), 4-hydroxybenzoic acid (936.2 mg/100 g DW in P. hortorum orange2), kaempferol (971. 9 mg/100 g DW in T. patula orange), quercetin glucoside (958.8 in C. x hybrid), quercetin (919.3 mg/100 g DW in T. patula), α-carotene, and β-carotene in T. patula orange (989.5 and 601.2 mg/100 g DW, respectively). Regarding antimicrobial activity, T. patula orange and P. hortorum orange2 inhibited bacterial growth, while C. x hybrid orange and P. hortorum orange2 inhibited Candida albicans, and the latter inhibited Candida tropicalis. These results indicate the potential of edible flowers as a natural source of bioactive compounds and as a tool in the fight against antimicrobial resistance.

Preclinical Positron Emission Tomography with Body Conforming Animal Molds for Cloud-Based Automated Image Analysis in Mice.

Positron Emission Tomography (PET) is a molecular imaging modality that can be used to investigate a multitude of pharmacological questions, such as biomarker modulation, receptor occupancy, and biodistribution of compounds of interest. In biodistribution studies, experimental subjects are often longitudinally imaged after receiving the test article. The images are then analyzed to derive the compound's distribution profile in various organs at different timepoints. This constitutes a crucial step in drug development to understand the distribution and potentially binding profile of an investigative compound. Standard/manual methods of PET imaging-based biodistribution analyses, however, are labor-intensive and time-consuming and are often associated with high inter-operator variability. Further, it is challenging to keep the animals' positions consistent across different timepoints. To address these shortcomings, a series of mouse Body Conforming Animal Molds (BCAMs) were used to enable rigid and consistent positioning of animals during PET/CT imaging acquisition. Further, a Software-as-a-Service (SaaS) platform consisting of a cloud-based Organ Probability Map (OPM) and an artificial intelligence-powered segmentation tool were employed to enable reliable and automated quantitation of in vivo PET imaging data. The workflow presented here includes (1) prepping mice for imaging with the BCAMs, including the proper implantation of subcutaneous tumors to be compatible with the molds, (2) acquiring PET/CT images with BCAMs using the G8 scanner, and 3) performing automated organ segmentation and biodistribution analysis using the cloud-based SaaS. [18F]FDG was used as an exemplar tracer here, but other biomarkers and/or radio-labeled compounds can be readily adapted into the workflow. This procedure can be executed accurately and effectively with minimal training, and the automated PET data analysis yielded satisfactory results consistent with the manual method.

Aroma characterization of Sichuan and Cantonese sausages using electronic nose, gas chromatography–mass spectrometry, gas chromatography-olfactometry, odor activity values and metagenomic

The interest of Chinese consumers in meat-free sausages has increased considerably due to their health benefits, but the aroma quality is far from reaching the traditional fermented meat sausages. This study evaluated the aroma characterization of Sichuan and Cantonese sausages using electronic nose (E-nose), gas chromatography–mass spectrometry (GC–MS), gas chromatography-olfactometry (GC-O), odor activity values (OAVs) and metagenomic. Ninety-eight volatile compounds were identified. Among them, 23 odorants were perceived, and their intensity differed in the two groups of sausages. There was a significant difference in the volatile compound profile between Sichuan and Cantonese cooked sausages. E-nose sensors could differentiate them through specific responses to these volatile compounds. Furthermore, there was a significant difference in microbial communities between Sichuan and Cantonese sausages. For aroma quality improvement of meat-free sausages, studies should focus on controlling the formation of aroma compounds by aroma precursors and using different microorganisms to produce diverse meat aromas. Our results provide a reference for the implementation of these strategies.

Unlocking the potential of pequi (Caryocar brasiliense Camb.): Stability of phenolic compounds, carotenoid profile and vitamin A after drying

Among the fruit species of the Brazilian cerrado is pequi (Caryocar brasiliense Camb.), recognized for its nutritional properties and profile of bioactive compounds. However, it is necessary to evaluate techniques that promote its stability, reducing the moisture content without degrading the content of natural antioxidants. Therefore, this study aimed to evaluate the drying of pequi pulp in an oven at different temperatures (40 °C and 55 °C), as well as determine its kinetics and influence on the content of bioactive compounds and antioxidant capacity. The increase in temperature showed a reduction (∼50 %) of the drying time, from 720 min (40 °C) to 360 min (55 °C), with a final moisture content of approximately 39 %, which is the optimized condition of the process. (360 min – 55 °C). Drying at 55 °C showed better retention of carotenoids (β-carotene, α-carotene, and β-cryptoxanthin), especially β-carotene, an important precursor of vitamin A, with retention of approximately 57 %. The results for antioxidant capacity (ABTS and DPPH), total phenolic compounds, total phenolic acids and total flavonoids confirmed that a longer drying time resulted in greater degradation of bioactive compounds, even at lower temperatures. The profile of phenolic compounds of the sample subjected to drying under optimized conditions was identified by HPLC-DAD-ESI-MSn, which showed the presence of six phenolic acids, one isoprenoid plant hormone, nine flavonols, and one flavonoid. Optimizing pequi pulp drying in ovens, and controlling time and temperature, can significantly reduce energy expenditure. This practice not only meets the demands of the food industry but also increases the use of fruits from the cerrado, promoting the diversification and valorization of these products.

Decoding Variation among the Phenolic Composition and Antioxidant Properties of Some Finger Millet [Eleusine coracana (L.) Gaertn.] Landraces Grown in Maharashtra, India

Background: The profiles of phenolic compounds and antioxidant capacities of ten finger millet landraces harvested from the northern Western Ghats of Maharashtra were investigated. Methods: The antioxidant activity of methanol extracts of ten landraces were assessed using H2O2, FRAP and Phosphomolybdenum assays. Result: Results of the H2O2 scavenging assay exhibit variation in their inhibition activity (59 -90.12 %). The highest H2O2 scavenging activity was shown by T1, followed by T2, T3, T5, T8, T10 and T29 (90.12, 82, 79.8, 82.9, 79 and 85.78 respectively) when compared the control sample T had significantly lower activity (55.87%). While the reducing power was in the range of 1.02-1.76 mM of Fe (II)/gm and the reducing capacity was in the range of 73.86-158.71 equivalents of ascorbic acid in µg/gm of extract. The highest reducing power was shown by T2, T15 and T8 as 1.98, 1.94 and 1.89 mM of Fe (II)/gm respectively; while lower values were recorded in T19 (0.89 mM of Fe (II)/gm) and T1 (1.02 mM of Fe (II)/gm). The total antioxidant activity of the methanolic extract was calculated as ascorbic acid equivalents (AAE) per gram. Based on the results, T2, T5, T8 and T10 had a high reducing potential (158.71, 143.2, 149.5 and 152.65 AAE of a sample, respectively) with reducing capacities ranging from 73.86 to 158.71 AAE. A total of seventeen phenolic compounds were identified in the extracts including seven ûavonoids, with catechin, Iso –orientin and Iso-vitexin being the predominant flavonoids. Ten phenolic compounds were identified in the extracts, with p-hydroxybenzoic acid, genistic acid and gaillic acid being the predominant ones. In conclusion, based on the antiradical activities, the landraces T2, T5, T8, T10 and T29 could be potential cultivars and certainly effective sources of natural antioxidants for applications in the food and pharmaceutical industries.

Profiling of Potential Anti-Diabetic Active Compounds in White Tea: An Integrated Study of Polyphenol-Targeted Metabolomics, Network Pharmacology, and Computer Simulation.

Diabetes remains a critical global public health challenge, posing a growing threat to human health and well-being. White tea is a lightly fermented tea and one of the six traditional tea categories in China. Owing to its rich content of bioactive compounds such as catechins and alkaloids, it has demonstrated potential anti-diabetic properties. However, its precise bioactive components, mechanisms of action, and relevant molecular targets require further investigation. In this study, an integrated approach combining polyphenol-targeted metabolomics, in vitro antioxidant assays, α-glucosidase inhibition tests, network pharmacology analysis, GEO database exploration, molecular docking, and molecular dynamics simulations was employed to identify the potential anti-diabetic compounds, targets, and mechanisms of white tea. The findings revealed that white tea is particularly abundant in 10 bioactive compounds, including epigallocatechin gallate, epicatechin gallate, and catechin, all of which exhibit significant anti-diabetic potential. These compounds were found to exert their effects by interacting with core molecular targets, namely cathepsin V (CTSV) and nucleotide-binding oligomerization domain-containing protein 1 (NOD1), and engaging in pathways related to signal transduction, apoptosis, and immune responses. This study establishes a strong theoretical basis for advancing white tea research and underscores new opportunities for applying natural products in diabetes therapy.

Metabolic profile of fatty acids, phenolic compounds, and methylxanthines of cocoa kernels (Theobroma cacao L.) from different cultivars produced in cabruca and full sun farming systems

The demand for high-quality cocoa beans has increased in line with the growing global demand for chocolate. The chemical composition of cocoa beans can vary according to their origin and growing conditions. In this context, this study evaluated the influence of the cultivar type (CCN51 and PS1319) and the cocoa management system (cabruca and full sun) on the chemical composition of unfermented cocoa kernels. The cultivation system influenced the fatty acid composition of cocoa kernels, with higher values of linoleic acid associated with the full sun system, although higher total lipid contents were obtained in the cabruca system. The cultivar influenced the content of saturated fatty acids (SFA), monounsaturated fatty acids (MUFA), total unsaturated fatty acids (UFA) and the saturated/unsaturated ratio (S/U). Lower levels of total phenolic compounds, total anthocyanins and antioxidant properties were found in the full sun system, especially in the PS1319 cultivar. Higher levels of epicatechin and catechin were found in the cocoa kernel of the CCN51 cultivar. Theobromine and caffeine were not influenced by the treatments. Neither the PCA of total lipids and fatty acids, nor the PCA of antioxidant properties, phenolic compounds and methylxanthines indicated an isolated clustering between cultivar and cultivation system. The results showed that the factors under study influenced the chemical composition of the unfermented cocoa kernel. Furthermore, they indicated that the migration from traditional systems, such as cabruca, to full sun systems can reduce the total lipids and phenolic compounds content of the cocoa beans. When planning new plantations, the choice of genetic material should also be carefully considered to produce higher-quality cocoa butter and beans with a higher phenolic compound content.

Changes in the sugars and volatile compounds profiles associated with anthocyanin accumulation in oranges: Blood vs. blond varieties, and slightly pigmented vs. intensely pigmented blood fruit

The blood oranges accumulate anthocyanins in their peel and pulp, which give them their characteristic red colour. To investigate whether there is a specific volatile compounds profile for blood oranges, we compared the volatile composition of the blood varieties ‘Moro’, ‘Tarocco Rosso’ and ‘Sanguinelli’ to that of the blond ones ‘Cadenera’, ‘Salustina’ and ‘Hamlim’ using a non-targeted approach based on HS–SPME–GC–MS. Moreover, fruits from each blood orange variety were divided into slightly and intensely pigmented fruits, and individual sugars and anthocyanins were determined by liquid chromatography to investigate whether their profiles depend on the degree of pulp pigmentation. A total of 101 volatile compounds were identified in this study. Hierarchical Cluster Analysis, including all compounds, revealed that blood oranges have no unique volatiles profile that makes them more similar to one another than to the blond varieties. For blood orange varieties, our results corroborated that greater anthocyanin accumulation in the most intensely pigmented fruit is associated with higher sugar content (an increase of 0.8–2.3 % depending on the variety). Moreover, we reported for the first time that anthocyanin accumulation is also associated with changes in the volatiles profile. A Multifactor Analysis including data on volatiles, sugars and anthocyanin showed that sucrose is the sugar more strongly linked to anthocyanin accumulation. A group of volatile compounds, mainly esters (ethyl acetate, ethyl-2-methyl butanoate and ethyl-2-butenoate) along with ethanol, are present at increased levels, sometimes even doubling in the most intensely pigmented samples compared to the slightly pigmented ones. These results open the door to further investigate the possible metabolic link between sugars and anthocyanins accumulation and changes in volatile compounds.