Search Results (110,377)

Bioprocessing grape pomace (GP) presents a sustainable solution aligned with circular economic principles and transforms it into valuable functional ingredients for baked products. This review (2020–2025) synthesizes enzymatic and microbial strategies that modify the fiber–phenolic matrix and improve dough performance. Enzyme-assisted extraction, alone or combined with ultrasound or pressurized liquids, increases extractable polyphenols and antioxidant capacity in GP fractions used as flour substitutions or pre-ferments. Fungal solid-state and lactic fermentations liberate bound phenolic compounds and generate acids and exopolysaccharides. Among these routes, enzyme-assisted extraction and lactic sourdough-type fermentations currently appear the most compatible with bakery-scale implementation, offering substantial phenolic enrichment while relying on relatively simple, food-grade equipment. In current bakery applications, GP is mainly used as crude grape pomace powder, which typically shows higher total phenolics and antioxidant capacity. Moreover, in several models it lowers starch hydrolysis and predicted glycemic index. The practical substitution rate is between 5 and 10% of flour, which balances nutritional gains with processing disadvantages. These can be mitigated by fractionation toward soluble dietary fiber or co-fortification with flours rich in protein and fiber. An additional benefit of these methods includes reduced mycotoxin bioaccessibility in vitro. A key evidence gap is the absence of standardized comparisons between raw and bioprocessed GP in identical formulations. Overall, GP emerges as a promising ingredient for bakery products, while the added technological and nutritional value of bioprocessing remains to be quantified. Full article

Background/Objectives: Coleus aromaticus (Lamiaceae), also known as Cuban oregano or Indian borage, is a semi-succulent perennial species widely used in traditional medicine for its therapeutic and nutritional properties. While its essential oils and aromatic fraction have been extensively investigated, the characterization of its non-volatile metabolites remains limited. The aim of this study was to explore the chemical composition of fresh leaves with a focus on the non-volatile fraction. Methods: Fresh leaves of C. aromaticus were cryogenically treated with liquid nitrogen, ground, and subjected to three different extraction procedures: hydroalcoholic maceration, ethyl acetate maceration, and liquid–liquid partitioning to obtain a dichloromethane organic phase and a hydroalcoholic phase. Extracts and fractions were analyzed by HPTLC and HPLC for metabolic profiling. In addition, the Bligh–Dyer method was applied to separate polar and non-polar metabolites, which were subsequently characterized using NMR spectroscopy. Results: Chromatographic analyses highlighted the occurrence and distribution of organic acids, polyphenols (notably flavonoids), and proteinogenic amino acids. Spectroscopic data confirmed the presence of diverse polar and non-polar metabolites, providing a more detailed chemical fingerprint of C. aromaticus. This integrated approach broadened the phytochemical profile of the species beyond the well-documented essential oils. Conclusions: The results contribute to a better understanding of the non-volatile metabolites of C. aromaticus, offering novel insights into its chemical diversity. These findings highlight the potential of this plant as a valuable source of bioactive compounds, supporting its future application in nutraceutical and pharmaceutical research. Full article

Direct agricultural use of digestate from food waste is hindered by its high phytotoxicity, and the addition of common auxiliary materials during composting increases the project cost. In this study, mature compost (MC) was used to replace part of mushroom residue as auxiliary materials for controlled experiments at a pilot-scale horizontal double-layer mechanical composting device. The results showed that the MC addition heated up more rapidly than the control group (NC), peaking at 72 °C on day 5. The moisture content was reduced from 47.17% to 25.36%, which was lower than the final value of 28.48% in the NC. The final humic acid (HA) content in the MC group (60.88 g/kg) was higher than that in the NC (44.82 g/kg). The seed germination index (GI) for both groups exceeded 70%, meeting the national standard. The MC group achieved a final GI of 119.37%, which was significantly higher than that of the NC (81.29%). The phylum Firmicutes became the dominant group in the MC group during the thermophilic phase, demonstrating strong thermotolerance and a high capacity for degrading recalcitrant organic compounds such as cellulose. At the genus level, Bacillus demonstrated a relatively high abundance during the thermophilic phase. These findings imply that the MC addition improves the composting property, enhances the degree of humification, and shortens the composting time, providing technical support for the improvement of aerobic composting of food waste digestate, thus contributing to more sustainable waste management by promoting a circular economy and reducing reliance on external inputs. Full article

A chemical graph is an illustration of a chemical compound’s structural formula, where the edges indicate covalent bonding and the vertices depict atoms. In the study of (molecular) graphs, Zagreb indices and their variations are the most studied and well-investigated invariants due to their chemical applicability. To probe and investigate the most promising lower and upper bound of the appropriate topological index for a graph family is a problem of primal significance in extremal graph theory. Deng et al. computed the closed-form formulas for the Zagreb indices $M_1$ and $M_2$ for four novel operations known as F-sum graphs, proposed by Eliasi and Taeri in “Discrete Appl. Math. (2009) 157.” Subsequently, Buragohain et al. derived the formulas for $M_1$ and $M_2$ of four sum graphs in the context of the direct product. In this article, we investigate F-sum graphs formed through four newly defined graph operations associated with the direct product and establish lower bounds and upper bounds on the first hyper-Zagreb index $H{M}_1$ for these graphs. Finally, we validate our derived bounds by applying them to various examples, demonstrating the correctness and applicability of the results. Full article

Background: Breast cancer is the most prevalent cancer in women, and metastatic breast cancer remains a major cause of cancer-related deaths. Resveratrol (RSV) is a natural compound found in various plants and is known to exhibit various anti-cancer effects. The present study aims to investigate the therapeutic effects and mechanisms of RSV in inhibiting breast cancer metastasis in a murine model of 4T1 breast tumor that shares close molecular features with human triple negative breast cancer. Methods: Murine breast cancer 4T1 cells were used to examine the effects of RSV on breast cancer metastasis and epithelial–mesenchymal transition (EMT). In vitro cell proliferation and Transwell migration assays and in vivo 4T1 tumor transplantation models were established in female Balb/c mice to determine the anti-metastatic effects of RSV and its mechanism of action. Results: RSV significantly inhibited 4T1 tumor cell migration and significantly decreased expression levels of EMT markers Snail and Vimentin, as well as the nuclear translocation of β-catenin both in vitro and in vivo. Knockdown of β-catenin similarly reduced the expression levels of EMT markers. RSV significantly decreased the number of lung metastases in 4T1-implanted mice by inhibiting Wnt/β-catenin signaling pathway activation. RSV (150 mg/kg/day) reduced the number of visible tumor metastatic nodules and the histological count of metastatic lung carcinomas by 51.82% and 62.58%, respectively, compared to vehicle administration. Conclusions: Our study provides important new mechanistic insight into the strong anti-cancer effects of RSV in inhibiting 4T1 breast cancer metastasis by preventing Wnt/β-catenin signaling pathway-mediated epithelial–mesenchymal transition. These findings suggest the therapeutic potential of RSV as a promising drug in the treatment of metastatic breast cancer. Full article

This study evaluated the in vitro interaction of 5-fluorouridine (5-FUrd) with antifungal drugs and examined the role of efflux pumps in 5-FUrd resistance. Eleven reference Candida strains and twenty-three clinical C. albicans isolates from gynecological patients were tested. The antifungal activity of 5-FUrd alone and in combination with amphotericin B, fluconazole, voriconazole, caspofungin, and flucytosine was assessed using the checkerboard microdilution method. Efflux pump activity was evaluated using two inhibitors: carbonyl cyanide 3-chlorophenylhydrazone (CCCP) and verapamil. 5-FUrd exhibited antifungal activity against both the reference and clinical Candida strains, with MIC values ranging from 0.1 µg/mL to 409.6 µg/mL. The checkerboard assays revealed primarily no interactions in the reference Candida strains, whereas the reference C. albicans and clinical C. albicans isolates showed notable synergy between 5-FUrd and fluconazole, voriconazole, or caspofungin. The efflux pump inhibitors reduced the MICs of 5-FUrd in the resistant strains of C. lusitaniae, C. kefyr, and particularly C. krusei, suggesting efflux-mediated resistance mechanisms. This study highlights the potential of 5-FUrd, alone or combined with azoles or caspofungin, as an adjunct therapy against Candida infections. It also suggests that reduced susceptibility may be linked to efflux pump activity in certain strains. Full article

Cucumis metuliferus E. Mey or kiwano/African horned melon is a good source of bioactive compounds of various pharmacological and industrial importance. This study investigated metabolomic shifts in in vitro cultivated kiwano plants over ten weeks of maturity time through GC-MS and LC-HRMS-MS untargeted analysis of volatile and non-volatile metabolites. Furthermore, in silico screening of the highly abundant volatile compounds from each sample was performed against three different proteins and enzymes of Candida spp. These results obtained from GC-MS and LC-HRMS-MS analysis highlight the potential of in vitro culture for enhancing the biosynthetic potential of C. metuliferus for sustainable and controlled production of target metabolites. Furthermore, this work also highlights the potential inhibitory properties of abundant volatile compounds in each stage of maturation period of C. metuliferus, providing a platform for further exploration of the therapeutic applications of C. metuliferus metabolites against Candida spp. Full article

Bentonite is the most widely used raw material for producing organoclays, which have numerous industrial and environmental applications. Due to their hydrophobicity, high swelling, and strong affinity for organic compounds, organoclays are effective in removing organic solvents from contaminated water originating from pipeline leaks, oil spills, traffic accidents, and industrial discharges. Such contamination not only degrades water quality but also forms surface films that hinder oxygen transfer, threatening aquatic ecosystems. In this study, two sodium bentonites with different specific surface areas (30 and 50 m²/g) were modified with three quaternary ammonium salts of varying molar masses and alkyl chain lengths (Sun, Arq, and Arm) to evaluate their performance in organic solvent sorption (gasoline, diesel, and kerosene). The materials were characterized by X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), differential thermal analysis (DTA), scanning electron microscopy (SEM), and swelling capacity and sorption efficiency. The swelling capacity was determined according to ASTM D5890-19 (Foster method) using gasoline, diesel, kerosene, toluene, and xylene, while the sorption efficiency was assessed following ASTM F726-17 in gasoline, diesel, and kerosene, chosen due to their high potential for water contamination and frequent occurrence in oil spill and leakage scenarios. These solvents also differ in polarity and aromatic content, providing a relevant model for hydrocarbon mixtures commonly found in the environment. Results showed that the interaction between the clay and the surfactant depended strongly on the modifier’s chemical structure. The sorption capacity increased with greater interlayer expansion, surfactant molar mass, and specific surface area of the clay. Among all samples, the Arm-modified natural bentonite (VLArm) exhibited the best performance, with adsorption capacities of up to 6 g/g for diesel, 5 g/g for gasoline, and 5 g/g for kerosene. These values exceeded most previously reported organoclays. These findings demonstrate that optimizing the combination of clay properties and surfactant chemistry can yield highly efficient, low-cost organoclays for environmental remediation of organic contaminants. Full article

Background/Objectives: Litsea glaucescens Kunth, commonly known as “laurel,” is a tree native to Mexico. The Codex Cruz-Badiano, from 1552, described it as the main ingredient of a topical anti-inflammatory recipe. This study aims to determine whether L. glaucescens leaf extract can reduce experimental inflammation, supporting its use in Aztec medicine. Methods: Methanolic extracts and fractions from the leaves of L. glaucescens were analyzed using techniques such as normal and reverse-phase TLC, 1H-NMR, HPLC-UV, MS, and GC-MS. The anti-inflammatory systemic activity of this methanolic extract was evaluated in mice using carrageenan-induced paw inflammation and TPA-induced ear topical inflammation models. Myeloperoxidase activity, DPPH, and TBARS assays were performed. L. guatemalensis, a closely related species, served as a positive control, as its biological activity has been demonstrated. Results: Thin-layer chromatography analysis reveals flavonoid-type compounds in the methanolic extract of L. glaucescens leaves, and when it was fractionated, pinocembrin and quercitrin were the main compounds found. L. glaucescens in mice significantly reduced carrageenan-induced paw swelling and TPA-induced ear inflammation. A decrease in myeloperoxidase activity and an increase in antioxidant activity were observed. Conclusions: Methanolic extract from L. glaucescens, administered systematically, produced significant in vivo anti-edematous effects and in vitro, antioxidant and anti-infiltrative/anti-neutrophilic activities, qualitatively like those of L. guatemalensis. Quercitrin and pinocembrin could contribute to these actions. It is unclear which of the two plant species was used in pre-Columbian times; However, our results show that both species contain phytochemicals with anti-inflammatory properties, suggesting that the Aztecs recognized this medicinal property. Full article

Scour around two compound piles (CPs) in tandem, side-by-side (SBS), and staggered arrangements is investigated through experiments. Each CP has a larger diameter foundation, which is partially buried, and a smaller diameter top part with a diameter ratio of 0.5. The exposed height of the foundation is equal to its diameter. Experiments are conducted for gap ratios from 1 to 3. Due to the shadowing effect from the upstream CP, the downstream CP in the tandem arrangement has shallower scour depth and its most downstream point has deposition at an early stage. In the SBS arrangement, the scour does not have much difference from that of a single CP, but the inner side of each CP has a slightly deeper scour hole than the outer side of each CP and scour hole became independent at gap ratio of 3. In the staggered arrangement, the shadowing effect from the upstream CP was experienced by the downstream CP when G/D = 1, but not 1.5 and 3. Full article

Cancer remains one of the leading global health challenges, with increasing resistance to conventional therapies hindering treatment efficacy. Ligustilide, a bioactive compound derived from Ligusticum chuanxiong, has garnered attention for its multifaceted pharmacological properties, including anti-inflammatory, neuroprotective, and anticancer effects. This review comprehensively examines Ligustilide and its isomer, (Z)-Ligustilide, focusing on their anticancer potential across various cancer types. Ligustilide exerts its therapeutic effects through multiple mechanisms, including inhibition of cell proliferation, induction of apoptosis, and modulation of autophagy. Additionally, (Z)-Ligustilide has been shown to enhance drug sensitivity and modulate epigenetic regulation, providing a novel approach to overcoming chemoresistance. Despite promising preclinical results, the precise molecular mechanisms, pharmacokinetics, and bioavailability of Ligustilide remain under investigation. Future research should focus on optimizing its therapeutic applications, exploring its synergy with other chemotherapeutic agents, and assessing its potential in personalized cancer therapies. This review offers an in-depth analysis of Ligustilide’s anticancer mechanisms, its role in overcoming drug resistance, and its potential as a novel therapeutic strategy in cancer treatment. Full article

Making advancements in Quantitative Structure-Activity Relationship (QSAR) modeling is crucial for predicting biological activities in new compounds. Traditional 2D-QSAR and 3D-QSAR methods often face challenges in terms of computational efficiency and predictive accuracy. This study introduces a machine learning approach using 3D Discrete Tchebichef Moments (3D-DTM) to address these issues. The 3D-DTM method offers efficient computation, robust descriptor generation, and improved interpretability, making it a promising alternative to conventional QSAR techniques. By capturing global 3D shape information, this method provides better representation of molecular interactions essential for biological activities. We applied the 3D-DTM model to a dataset of 46 molecules derived from the Dihydrophenanthrene scaffold, screened against the enzymatic activity of 3-chymotrypsin-like protease, a key antiviral target. Principal Component Analysis and k-means clustering refined descriptors, followed by stepwise Multiple Linear Regression (step-MLR), Partial Least Squares Regression (PLS-R), and Feed-Forward Neural Network (FFNN) techniques for 3DTMs-QSAR model development. The results showed high correlation and predictive accuracy, with significant validation from internal and external tests. The step-MLR model emerged as the optimal method due to its balance of predictive power and simplicity. Validation through y-Randomization and applicability domain analysis confirmed the model’s robustness. Virtual screening of 100 novel compounds identified 32 with improved pIC₅₀ values. This study highlights the potential of 3D-DTMs in QSAR modeling, providing a scalable and reliable tool for computational chemistry and drug discovery. A user-friendly software tool was also developed to facilitate 3D-DTM extraction from input 3D molecular images. Full article

This article explores the multifaceted potential of tomato pomace (TP) as a sustainable resource for the cosmetic and pharmaceutical industries, with a particular focus on the critical discussion surrounding peel–seed separation processes. Despite the significant volume of TP generated globally, valued molecules such as carotenoids, polyphenols, and high-quality oils remain underutilized. The separation of seeds from peels is highlighted as a critical step in the valorization of TP, as both components offer distinct physicochemical properties and bioactive constituents that significantly influence extraction efficiency and product quality. Various separation methods, including wet and dry techniques, have been innovatively developed; however, they present challenges such as resource consumption, operational complexity, and environmental concerns. The discussion advocates for a whole-pomace processing strategy that could streamline operations, enhance extraction efficiency, and create sustainable pathways for resource optimization. Additionally, the article highlights the importance of incorporating TP-derived compounds into cosmetic formulations and pharmaceutical products, which could lead to the development of new enzymes, antioxidants, and colorants that contribute to health and wellness. By championing the valorization of TP, the article advocates for a redefined perception of food waste, encouraging its utilization in sustainable practices that align with environmental goals. Full article

Tree bark is a chemically rich but underexploited forest byproduct that can support circular bioeconomy strategies. This study investigates how provenance and drying temperature influence the structural and chemical composition of Larix decidua Mill. bark, aiming to support genotype selection and biomass valorization. The experimental design included bark collected from seven distinct provenances and subjected exclusively to controlled drying at three temperatures (60, 80, and 100 °C), enabling a focused assessment of thermally induced chemostructural variation. Bark samples from seven Romanian provenances were exposed to four drying treatments (control, 60 °C, 80 °C, 100 °C) and examined using FT-IR and GC–MS. FT-IR spectra revealed temperature-dependent shifts in O–H, C–H, and C=O regions, indicating subtle rearrangements in lignin, cellulose, and hemicellulose structures. GC–MS profiling identified major terpenoid, ester, amide, and diterpenoid/triterpenoid derivatives whose concentrations varied significantly across both thermal regimes and genetic origins. Moderate heating (60–80 °C) enhanced the release or stabilization of α-pinene, larixol, and several esterified or diterpenoid compounds, whereas 100 °C promoted oxidative transformations, increasing lipid-derived amides and resin-oxidation products such as caryophyllene oxide. Provenances from cooler, mid-altitude regions showed higher terpenoid abundance and greater thermochemical stability, while southern provenances accumulated more oxidative derivatives under high-temperature exposure. The strong provenance × temperature interactions highlight genetically driven variation in thermochemical plasticity. These findings provide a basis for identifying elite genotypes suitable for resin-oriented breeding and for optimizing temperature-controlled bark processing within sustainable biomass valorization frameworks. Full article

Metabolic reprogramming is a fundamental hallmark and a key driver of malignant tumors. By reshaping glucose, lipid, and amino acid metabolism, as well as mitochondrial function, it sustains the abnormal proliferation and survival of tumor cells, making it a crucial target for anti-tumor therapy. Curcumin, a natural multi-target compound, exhibits unique advantages in intervening in tumor metabolic reprogramming due to its low toxicity and broad-spectrum regulatory properties. In various tumor models, it can directly modulate the activity of key glycolytic enzymes, such as hexokinase 2, lactate dehydrogenase A, and pyruvate kinase M2, as well as transporters like glucose transporter 1. Furthermore, it inhibits the expression of proteins related to lipid metabolism, including fatty acid synthase and stearoyl-CoA desaturase 1, while also intervening in amino acid metabolic networks, such as glutaminase and branched-chain amino acid transaminase. Additionally, curcumin targets mitochondrial function and reactive oxygen species balance, creating multi-dimensional intervention effects through various pathways, including the induction of ferroptosis by regulating the SLC7A11/GPX4 axis and modulating gut microbiota metabolism. Its mechanism of action involves the synergistic regulation of key signaling pathways, including phosphoinositide 3-kinase/Akt, NF-κB, AMP-activated protein kinase, and hypoxia-inducible factor-1alpha. Furthermore, its specific effect profile demonstrates significant dependency on cell type and tumor model. This article systematically reviews the regulatory effects of curcumin on these critical metabolic processes and pathways in tumor metabolic reprogramming, revealing its molecular mechanisms in disrupting tumor growth and progression by targeting energy and biosynthetic metabolism. These findings provide a significant theoretical foundation and a preclinical research perspective for the development of natural antitumor drugs based on metabolic regulation, as well as for optimizing combination therapy strategies. Full article