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The effect of solvents with different polarities on the recovery of phytochemicals (carotenoids, capsaicinoids, and phenolic compounds) from habanero pepper (Capsicum chinense) and their association with antioxidant activity (ABTS •+ and DPPH) was evaluated through Ultra-Performance-Liquid Chromatography coupled with a Photodiode Array Detector and a Electrospray Ionization Mass Spectrometry (UPLC-PDA-ESI-MS)-based chemometric analysis, including linear correlation, multiple linear regression, and principal component analysis (PCA). The solvent polarity scale was established according to solvent dielectric constants (ɛ). Color variation (ΔE) was used to determine the presence of carotenoids, with the highest ΔE obtained using low-polarity solvents (hexane and ethyl acetate). A high content of capsaicin and dihydrocapsaicin was recovered with acetone (4.29 and 3.76 mg g⁻¹ dry weight, respectively). Phenolic compounds such as N-caffeoyl putrescine and derivatives of luteolin and apigenin were identified through mass spectrometry. A high recovery (26.54-31.74 mg GAE g⁻¹ dry weight) of these compounds was obtained using intermediate-polarity solvents. The PCA revealed clustering of solvents based on their affinity for extracting specific compounds and their association with antioxidant activity. A significant correlation was observed between ΔE and DPPH, indicating that carotenoid pigments exhibited higher DPPH radical inhibition capacity than other compounds. Total phenolic content (TPC) and phenolic compounds (phenolpolyamides, hydroxycinnamic acids, and hydroxybenzoic acids) were clustered with the ABTS •+ radical inhibition assay. The information obtained is crucial for selecting suitable solvents in the extraction and purification protocols of bioactive compounds. It is also valuable for conducting plant metabolomic analyses and for studies focused on determining the effects of bioactive compounds in food, pharmaceutical, and cosmeceutical applications. PRACTICAL APPLICATION: The results describe the characteristics of the extracts obtained using different solvents. Therefore, the information may be useful for establishing extraction protocols for phytochemical compounds in fruits from Capsicum chinense for various purposes, such as metabolomic analysis, the recovery of specific compounds with antioxidant activity, and food applications., (© 2024 Institute of Food Technologists.)

Introduction: Moringa oleifera is a plant with high antioxidant content in its leaves, flowers and seeds. It attracts the attention of researchers with the effect of its nutritional and medical advantages., Objective: The purpose of the current study is to propose a deep eutectic solvent (DES)-based ultrasound-assisted extraction of bioactive substances from M. oleifera leaves by the application of a chemometric study., Methodology: A total of 18 different choline chloride-based DESs were prepared by using several hydrogen bond donors (glucose, sucrose, glycerol, ethylene glycol, urea and dimethyl urea) with various molar ratios (1:1, 1:2 and 2:1) by addition of diluents (water and 50% methanol) or alone. In order to decide the best DES combination, principal component analysis (PCA) was applied. The response surface method (RSM) was used as statistical experimental design approach through the Box-Behnken design., Results: The best phenolic (TPC), flavonoid (TFC) and antioxidant activity yields of M. oleifera leaf extract were found to be 19.102 mg-GAE, 10.47 mg-CE and 24.404 mg-TEAC per gram dried leaf under the optimal conditions (50% water content, 20% amplitude, 15 min time). The model fitting has been also found reliable depending on the statistical indicators such as p-value (<0.0001), coefficients of determination (R 2  = 0.9827, 0.9916 and 0.9864) and root mean square error (RMSE = 1.0562, 2.4656 and 0.7713)., Conclusions: A chemometric study through PCA was carried out to determine the similarities and differences between the solvent groups, and the ethylene glycol-based DES (1:2, molar ratio) with the addition of water showed the best performance., (© 2023 John Wiley & Sons Ltd.)

Medicinal and aromatic plants are alternative products to synthetics because of their antioxidant, antimicrobial, anti-inflammatory and antidiabetic effects. The objective of this study is to investigate the automated solvent extraction (ASE) process parameters for the extraction of bioactive-rich substances from purple basil (Ocimum basilicum L.). Process optimization in relation to total phenolic content (TPC), total flavonoid content (TFC), and total anthocyanin content (TAC) was performed through a chemometric approach. The ASE system was designed, modelled and optimized by 3-factor and 3-level Box-Behnken design of Response Surface method (RSM). Antioxidant activity of the samples were measured by 2 different free radical scavenging activity assays (ABTS and DPPH). By using principal component analysis (PCA) to the dataset, the impact of interactions between the parameters was also evaluated according to their antioxidant activity, TPC, TFC and TAC levels. The optimal ASE conditions (0.3 g of purple basil, 19 min of immersion time and 66 % ethanol solution) provided the highest yields of TPC (98.888 mg-GAE/g-DM), TFC (27.033 mg-CE/g-DM) and TAC (11.556 mg-C3G/g-DM), which were verified by satisfactory validation findings (the error<2 %)., 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 © 2025 Elsevier B.V. All rights reserved.)

Introduction: Tempeh is an antioxidant-rich soybean fermentation product from Java, Indonesia. Cooking methods have an impact on the nutritional value and bioactivity of food., Objective: This study aims to investigate how the cooking process affects the metabolites and antioxidant activity in tempeh using ultra-high-performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS)., Methods: A nontargeted UHPLC-HRMS metabolomics and chemometric analysis were used to evaluate metabolite profiles and antioxidant activity changes because of food processing in tempeh., Results: The score plots of tempeh produced by boiling and frying methods displayed a distinct separation from raw tempeh, revealing that the cooking process altered the metabolite composition of tempeh. Due to processing, L-glutamic acid, L-pyroglutamic acid, DL-glutamine, and D-( +)-proline became the most affected metabolites on tempeh. There were 70 metabolites that showed antioxidant activity using the DPPH assay; 23 metabolites significantly differ from DPPH and control for antioxidant activity for all processing tempeh. Metabolites with significantly different antioxidant activity in raw and processed tempeh were dominated by flavonoids, vitamin E, and bioactive lipids., Conclusion: The DPPH antioxidant assay using UHPLC-HRMS is promising as a fast antioxidant assay by simplifying the conventional DPPH antioxidant assay. Further, it can be used to identify the name of metabolites responsible for its antioxidant activity., Competing Interests: Declarations Competing interests 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., (© 2024. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)

Spices played crucial and variable roles in traditions, culture, history, religious ceremonials and festivals along with fetching food flavor and microbial protection globally due to presence of structurally unique and multi-natured chemotypes. Their existence in dishes portrayed key roles in improving shelf life by regulating spoilage of cuisine with different synergistic mechanism. Histo-anatomically (A) sowa exhibited distinguished cellular attributes which created remarkable differences with T. ammi. HPTLC chemometrics of both fruits revealed several peaks for active metabolomics with unique isocratic combination of menstruum. GC-MS study of hydro-distillate exhibited presence of monoterpenic cyclic and aromatic hydrocarbons, alcoholic and ketonic groups along with phenolic derivative that covers majorly 90% of total metabolites. Combined essential oils (EOs 1 + 2) of both fruits showed excellent antimicrobial activity against various clinical pathogenic strains such as K. pneumoniae at 10 µL/mL, S. aureus at 2.5 µL/mL, E. coli and E. faecalis at 1.25 µL/mL, and MRSA and Bcereus at 0.625 µL/mL and (C) albicans at 0.312 µL/mL as the MIC. The antioxidant study of (EOs 1 + 2) with maximum inhibition percentage to DPPH assay was 84.02 ± 1.05 at 100 µg/mL, and minimal inhibition was 72.31 ± 0.63 at 5 µg/mL with IC 50 value 4.69 ± 0.22 µg/mL, while ABTS assay extreme was 79.15 ± 2.14 µg/mL and minimal was 67 ± 1.34 with the IC 50 value of 18.37 ± 0.15 µg/mL, in superoxide assay uppermost inhibition was 81.03 ± 0.27 µg/mL and lowest was at 65.16 ± 3.15 with the IC 50 value 16.46 ± 0.54, and H 2 O 2 radical scavenging activity, predominant value was 78.01 ± 0.47 and least was 64.1 ± 2.01 with IC 50 15.58 ± 0.34. These comparative key diagnostic features and synergistic effect of multicomponent natural antimicrobials will provide profound intellect of ancient utility and further scientists to explore their multiple mechanistic modality and application in food and beverages industry., (© 2024. The Author(s).)

In recent years, the exploration of the therapeutic potential of Salvia has gained considerable attention, leading to a growing number of scientific studies emphasizing its pharmacological properties. Despite this, therapeutic applications of Salvia remain underexploited, requiring further investigation. Iran is a major center for sage diversity in Asia, boasting 60 Salvia species, 17 of which are unique to the area. This study aimed to comprehensively explore and compare the extracts of 102 Salvia samples belonging to 20 distinct Salvia species from Iran, providing a deeper understanding of their specific polyphenol content and, consequently, their antioxidant capabilities and potential therapeutic uses. All samples were analyzed to determine the contents of total phenolics, total flavonoids, total tannin, photosynthetic pigments, and ascorbic acid, along with their antioxidant activity. These data were then combined with the forty distinct chemical fingerprints identified by ultrafast high-pressure liquid chromatography coupled with high-resolution mass spectrometry. Multivariate data analysis was employed to find correlations and differences among the huge number of data obtained and to identify Salvia species with similar phytochemical and/or antioxidant properties. The results show that each Salvia species is characterized by a distinct class of polyphenols recognized for their antidiabetic, anti-inflammatory, cardioprotective and neuroprotective properties. Overall, our findings reveal the potential of some Salvia species for targeted therapeutic applications and provide a rational basis for the development of Salvia-derived nutraceuticals, ultimately improving the prospects for the use of Salvia in medicine., (© 2024. The Author(s).)

The aim of the study was to verify in a cardio-oncological model experiment if conjugated linoleic acids (CLA) fed to rats with mammary tumors affect the content of selected macro- and microelements in their myocardium. The diet of Sprague-Dawley females was supplemented either with CLA isomers or with safflower oil. In hearts of rats suffering from breast cancer, selected elements were analyzed with a quadrupole mass spectrometer with inductively coupled plasma ionization (ICP-MS). In order to better understand the data trends, cluster analysis, principal component analysis and linear discriminant analysis were applied. Mammary tumors influenced macro- and microelements content in the myocardium to a greater extent than applied diet supplementation. Significant influences of diet ( p = 0.0192), mammary tumors ( p = 0.0200) and interactions of both factors ( p = 0.0151) were documented in terms of Fe content. CLA significantly decreased the contents of Cu and Mn ( p = 0.0158 and p = 0.0265, respectively). The level of Ni was significantly higher ( p = 0.0073), which was more pronounced in groups supplemented with CLA. The obtained results confirmed antioxidant properties of CLA and the relationship with Se deposition. Chemometric techniques distinctly showed that the coexisting pathological process induced differences to the greater extent than diet supplementation in the elemental content in the myocardium, which may impinge on cardiac tissue's susceptibility to injuries.