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22 pages, 453 KB  
Article
Comprehensive Phytochemical Characterization of Echinophoratenuifolia subsp. sibthorpiana Reveals Radical Scavenging, Antimicrobial, and Antiproliferative Activities Associated with Apoptosis and G2/M Cell Cycle Accumulation
by Yılmaz Uğur, Turgay Kolaç, Muhammed Dündar, Rukiye Zengin, Tahir Macit, Umay Sena Alan, Hüseyin Karcı, Zeynep Maraş, Feyza Yılmaz Dündar, Onural Özhan and Selim Erdoğan
Int. J. Mol. Sci. 2026, 27(16), 7385; https://doi.org/10.3390/ijms27167385 - 18 Aug 2026
Abstract
Echinophora tenuifolia subsp. sibthorpiana is an aromatic and traditionally used plant whose phytochemical diversity and pharmacological potential remain incompletely characterized. This study aimed to integrate comprehensive chemical profiling with antioxidant, antimicrobial, and antiproliferative evaluations of an acidified methanolic extract prepared from its aerial [...] Read more.
Echinophora tenuifolia subsp. sibthorpiana is an aromatic and traditionally used plant whose phytochemical diversity and pharmacological potential remain incompletely characterized. This study aimed to integrate comprehensive chemical profiling with antioxidant, antimicrobial, and antiproliferative evaluations of an acidified methanolic extract prepared from its aerial parts. Phenolic constituents, volatile compounds, and fatty acids were characterized using LC–MS/MS, GC–MS, and GC–FID, respectively. Antioxidant capacity was assessed using DPPH and ABTS assays, antimicrobial effects were evaluated by disc diffusion and broth microdilution methods, and antiproliferative activity was investigated in six human cancer cell lines and non-cancerous BEAS-2B cells. Apoptosis induction and cell-cycle alterations were further examined by flow cytometry. The extract contained a high total phenolic content of 181.78 ± 5.03 mg GAE/g and exhibited substantial DPPH and ABTS radical scavenging activities of 333.65 ± 2.94 and 262.18 ± 6.80 mg TE/g, respectively. LC–MS/MS analysis identified rutin hydrate, quinic acid, chlorogenic acid, narcissin, and vicenin-2 as the predominant non-volatile constituents. The essential oil was dominated by methyl eugenol (51.10%) and Δ-3-carene (32.23%), whereas lauric acid (29.71%) was the major fatty acid. The extract also exhibited measurable antimicrobial activity and concentration-dependent cytotoxicity, with the greatest sensitivity observed in MCF-7 breast cancer cells (IC50 = 32.96 ± 4.80 μg/mL), followed by A549 and MDA-MB-231 cells. However, the relatively close IC50 values observed in cancer and non-cancerous BEAS-2B cells indicated limited cancer-cell selectivity under the tested conditions. Flow-cytometric analyses demonstrated marked apoptosis induction in MCF-7 cells, reaching 57.93 ± 1.80%, together with a cell-line-dependent accumulation in the G2/M phase. Collectively, these findings indicate that E. tenuifolia subsp. sibthorpiana is a chemically diverse source of plant-derived bioactive compounds with notable radical scavenging and measurable antimicrobial and cytotoxic effects. Further bioactivity-guided fractionation and mechanistic studies are required to identify the active constituents and clarify their pharmacological relevance and selectivity. Full article
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21 pages, 5069 KB  
Article
Computational Study of Terpenes from Schinus molle L. Fruit Essential Oil as Potential Modulators of Osteoarthritis-Related Inflammatory Pathways: A Network Pharmacology and Molecular Docking Study
by Oscar Herrera-Calderon, Juan Manuel Guzmán-Flores, James Calva, Javier Hernán Chavez-Espinoza, Josefa Bertha Pari-Olarte, Eddie Loyola-Gonzales, José Santiago Almeida-Galindo and José Francisco Kong-Chirinos
Biophysica 2026, 6(4), 75; https://doi.org/10.3390/biophysica6040075 - 17 Aug 2026
Abstract
This study investigated the effects of terpene compounds from Schinus molle fruit essential oil (EO) against osteoarthritis (OA) using integrated network pharmacology, molecular docking, and molecular dynamics. The EO, obtained by steam distillation (yield: 6.95%), was characterized by GC-MS, detecting 55 peaks (98.61% [...] Read more.
This study investigated the effects of terpene compounds from Schinus molle fruit essential oil (EO) against osteoarthritis (OA) using integrated network pharmacology, molecular docking, and molecular dynamics. The EO, obtained by steam distillation (yield: 6.95%), was characterized by GC-MS, detecting 55 peaks (98.61% of the total), of which 49 were identified and dominated mainly by monoterpene hydrocarbons (73.93%), with α-phellandrene (20.35%), camphene (11.36%), and Z-β-ocimene (8.69%) as the major constituents. Additionally, seven compounds with favorable ADME profiles and low predicted toxicity were selected for the target prediction. Overlap analysis between compound targets and osteoarthritis-related genes (Os-teoDIP) revealed 171 common genes that triggered inflammatory pathways, including PI3K-Akt, HIF-1, and NOD-like receptor signaling. Protein–protein interaction network analysis identified 11 hub genes, including TLR4, HSP90AA1, PTGS2, and MAPK1. Molecular docking revealed that γ-cadinene exhibited the best binding affinities, particularly against HSP90AA1 (−6.38 kcal/mol) and TLR4 (−5.87 kcal/mol). A 200 ns molecular dynamics simulation confirmed the stability of the γ-cadinene–TLR4 complex through persistent hydrophobic contacts with residues F379, C391, F409, I310, and F377, with contact occupancy of up to 0.95. The receptor backbone RMSD plateaued between 2.5 and 3.5 Å after equilibration, and the ligand remained in the binding pocket throughout the trajectory. These findings suggest that the terpenes of S. molle EO, particularly γ-cadinene, may modulate the inflammatory pathways related to OA. However, it is necessary to complement experimental validation in vitro and in vivo. Full article
(This article belongs to the Special Issue Latest Advances in Molecular Docking Involved in Biophysics)
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25 pages, 20208 KB  
Article
Effects of Fertilizer Rates on Growth of Brassica napus L.
by Yumei Xu, Yuqi Liu, Wenqing Tan, Guangyao Chen, Lei Qin, Yufang Li and Rongkui Hui
Life 2026, 16(8), 1351; https://doi.org/10.3390/life16081351 - 17 Aug 2026
Abstract
The edible oil self-sufficiency rate of China is only approximately 30%, with rapeseed as the largest source of edible oil, contributing more than half of the total edible vegetable oil. Therefore, it is very important to achieve high rapeseed yield to ensure supply [...] Read more.
The edible oil self-sufficiency rate of China is only approximately 30%, with rapeseed as the largest source of edible oil, contributing more than half of the total edible vegetable oil. Therefore, it is very important to achieve high rapeseed yield to ensure supply security. Fertilizer is one of the key factors affecting rapeseed yield and quality, and the appropriate use of fertilizer is essential for ensuring both high yield and high quality. To investigate the effects of fertilizer rates on the growth, yield, and quality of rapeseed, 18 rapeseed varieties were grown under two fertilizer input levels: normal fertilizer (NF, 15-15-15 NPK compound fertilizer at 600 kg·ha−1) and high fertilizer (HF, 15-15-15 NPK compound fertilizer at 1200 kg·ha−1). Agronomic traits, physiological indicators, yield, and quality of these varieties were systematically analyzed in this study. In addition, transcriptomic data from stems collected at the silique stage were used to identify key differentially expressed genes (DEGs), and the correlations between the expression levels of these candidate genes, physiological indicators, agronomic traits, and yield were examined. Compared with the NF treatment, the HF treatment promoted rapeseed growth during the bolting stage (except for root collar diameter). At harvest, 27.8% of the rapeseed varieties showed a significant increase in the number of effective branches per plant, while 33.3% exhibited significant increases in both the number of effective siliques per plant and the yield per plant. Among these varieties, Z01, Z02, Huayouza 50, and Huayouza 652 showed the greatest overall yield increases. The oil content decreased in 88.9% of the varieties, whereas the unsaturated fatty acid content increased in 77.8%, and the protein content increased in 94.4% of the varieties. Under HF treatment, superoxide dismutase activity in leaves at the bolting stage and peroxidase activity in leaves at the initial flowering stage both increased significantly (by 19.07% and 10.41%, respectively). The content of thiobarbituric acid-reactive substances (expressed as malondialdehyde equivalents) in stems at the initial flowering stage increased significantly (by 138.39%). In addition, catalase activity in leaves at the 3- to 4-leaf stage reached its highest value among all treatments (27.31 U·g−1·min−1·FW). The KEGG enrichment analysis indicated that the DEGs were significantly enriched in secondary metabolite biosynthesis, plant hormone signal transduction, plant–pathogen interactions, and metabolic pathways. Through screening against the NCBI database and subsequent validation by RT-qPCR, we ultimately identified four candidate DEGs: BnaC05g02370D, BnaC09g49910D, BnaC03g45470D, and BnaA04g00130D. Among these four varieties, catalase activity and malondialdehyde content in rapeseed stems at the initial flowering stage showed significant positive correlations with yield (r = 0.738 and r = 0.894, respectively). BnaC09g49910D maintained a consistently positive correlation with yield under both the HF and NF treatments (r = 0.977 and r = 0.806, respectively). In contrast, the direction of the association for BnaC05g02370D reversed depending on the fertilizer level (r = −0.858 under HF vs. r = 0.443 under NF). Catalase activity and the content of thiobarbituric acid-reactive substances in stems at the initial flowering stage and the expression levels of BnaC05g02370D and BnaC09g49910D in stems at the silique stage are associated with yield to varying degrees. These indicators can be used as candidate traits for assessing rapeseed yield potential under different fertilizer input levels. Full article
(This article belongs to the Section Plant Science)
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19 pages, 2308 KB  
Review
Pelargonium graveolens L’Hér. in Traditional and Contemporary Medicine: Phytochemistry, Pharmacology, and Molecular Mechanisms
by Kamil Bukowiec, Mateusz Sroka, Agata Pałkiewicz, Bartłomiej Warzecha, Agnieszka Stasik, Piotr Szpak and Julita Kulbacka
Appl. Sci. 2026, 16(16), 8161; https://doi.org/10.3390/app16168161 - 16 Aug 2026
Abstract
Pelargonium graveolens L’Hér. is a widely distributed aromatic plant that has been utilized in traditional medicine for an extended period. It is currently experiencing a surge in popularity in modern phytotherapy. The ethnopharmacological uses of this species include treatment of respiratory tract infections, [...] Read more.
Pelargonium graveolens L’Hér. is a widely distributed aromatic plant that has been utilized in traditional medicine for an extended period. It is currently experiencing a surge in popularity in modern phytotherapy. The ethnopharmacological uses of this species include treatment of respiratory tract infections, digestive disorders, and analgesia. The plant’s multifaceted biological activity is attributed to the presence of monoterpenes, such as citronellol and geraniol, as well as non-volatile polyphenolic fractions and organic acids. Research has demonstrated the efficacy of PGEO (P. graveolens essential oil) in mitigating inflammation, a phenomenon attributable to the suppression of NF-κB and MAPK signaling pathways, as well as the inhibition of inflammatory mediators such as histamine, prostaglandins (PGs), and nitric oxide (NO). Furthermore, a broad spectrum of antimicrobial activity has been demonstrated against pathogens such as MRSA and Mycobacterium tuberculosis, whilst myricetin derivatives have been shown to enable the effective eradication of bacterial biofilms. It is also noteworthy that the oil’s components can reduce ACE2 receptor expression, indicating their potential to inhibit SARS-CoV-2 infection. Active compounds, such as geraniol, have been shown to modulate metabolic processes through interaction with LXR and FXR nuclear receptors. In addition, these compounds have been observed to exhibit spasmolytic effects within the gastrointestinal tract by blocking calcium channels. The influence on the HPA axis and the GABAergic system provides a scientific rationale for the plant’s traditional use in reducing stress and anxiety. Nevertheless, variations in chemical composition, determined by geographical origin, and an insufficient number of rigorous clinical data hinder the full medical implementation of this plant. It is imperative that further standardization of extracts and their verification in clinical trials is undertaken. Full article
(This article belongs to the Special Issue Biological Activities of Plant Extracts and Their Applications)
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41 pages, 21329 KB  
Review
Phytochemistry and Pharmacological Potential of the Genus Dalea: Current Evidence and Future Directions
by Renata Solis-Peña, Vanessa Lizbeth Correa-Macias, Hania Lizeth Peralez-Olguin, Dalia Lizbeth Martínez-Medellín, Andrea Melissa González-Rodríguez, Lizeth Guadalupe Campos-Muzquiz, Lissethe Palomo-Ligas and Sendar Daniel Nery-Flores
Pharmaceuticals 2026, 19(8), 1294; https://doi.org/10.3390/ph19081294 - 15 Aug 2026
Abstract
The genus Dalea (Fabaceae) comprises approximately 188 recognized species distributed mainly in arid and semi-arid regions of the American continent, where several species have been traditionally used in folk medicine for the treatment of gastrointestinal disorders, infections, inflammation, and other ailments. In recent [...] Read more.
The genus Dalea (Fabaceae) comprises approximately 188 recognized species distributed mainly in arid and semi-arid regions of the American continent, where several species have been traditionally used in folk medicine for the treatment of gastrointestinal disorders, infections, inflammation, and other ailments. In recent years, Dalea species have attracted considerable scientific interest due to their remarkable diversity of secondary metabolites, particularly prenylated flavonoids, isoflavonoids, rotenoids, chalcones, stilbenes, and terpenoid-rich essential oils. Among these compounds, prenylated and geranylated flavonoids represent some of the most characteristic metabolites of the genus and are strongly associated with its reported biological activities. This review summarizes current knowledge regarding the taxonomy, distribution, traditional uses, phytochemical profile, pharmacological activities, and toxicological aspects of the genus Dalea. Although only about 19 species (approximately 10% of currently recognized species) have been subjected to phytochemical investigation, substantial knowledge gaps remain within the genus. Special emphasis is placed on prenylated phenolic compounds because of their structural diversity and broad spectrum of biological activities, including antibacterial, antifungal, antiparasitic, anti-inflammatory, neuroprotective, anticancer, anti-tyrosinase, and xanthine-oxidase-inhibitory effects. Despite promising pharmacological findings, most available evidence remains limited to in vitro evaluations, with relatively few studies including in vivo validation or mechanistic investigations. Furthermore, important challenges remain regarding toxicity, pharmacokinetics, metabolomic characterization, and sustainable production of bioactive metabolites. Overall, the available evidence highlights Dalea as a valuable source of bioactive compounds with potential pharmaceutical applications and supports the need for further interdisciplinary research focused on drug discovery and development. Full article
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25 pages, 8187 KB  
Article
Comparative Physicochemical, Structural, Thermal, and Rheological Analyses of Lemon By-Product Pectin: Hot Acid-Assisted Extraction Coupled with Drying Techniques
by Daniela Magalhães, Cristina V. Rodrigues, Sérgio Sousa, Joana R. Costa, Paula Teixeira and Manuela Pintado
Polymers 2026, 18(16), 1989; https://doi.org/10.3390/polym18161989 - 15 Aug 2026
Viewed by 46
Abstract
Pectin is a naturally occurring biopolymer extensively used for applications in the pharmaceutical, biotechnology, and food industries, and is abundantly present in lemon by-products. Although lemon peels represent a highly promising raw material, the structure of pectin is strongly influenced by extraction and [...] Read more.
Pectin is a naturally occurring biopolymer extensively used for applications in the pharmaceutical, biotechnology, and food industries, and is abundantly present in lemon by-products. Although lemon peels represent a highly promising raw material, the structure of pectin is strongly influenced by extraction and drying processes, and the resulting attributes remain insufficiently understood. The present study systematically investigates the impact of conventional hot acid extraction using three different acidifying agents (citric, sulphuric, and hydrochloric) in combination with two drying techniques (oven-drying and freeze-drying) on the physicochemical, structural, thermal, and viscosity–shear rate properties of pectin obtained from lemon by-products (Citrus limon, Portuguese Eureka variety) following the prior recovery of bioactive compounds (essential oils and phenolic compounds). The results demonstrated that citric acid extraction followed by freeze-drying yielded the highest pectin recovery, at approximately 26.7%, highlighting the suitability of this approach for efficient by-product valorisation. Oven-dried pectins exhibited higher moisture contents (8.5–10%) and lower lightness values (L* = 57.02–65.67), indicating darker colouration compared to freeze-dried pectins (L* = 78.82–83.75). All extracted pectins presented a degree of esterification (DE ≥ 50%), classifying them as high-methoxyl pectins. The galacturonic acid (GalA) content ranged from 37.6 to 48.9% for oven-dried samples and increased to 44.1–58.6% for freeze-dried samples. Furthermore, pectin obtained from lemon by-products exhibited a well-defined structural organisation and enhanced thermal stability, especially for freeze-dried pectin samples, and suitable rheological properties, with no statistically significant variations observed between different acids or drying conditions, supporting its technological suitability for applications in the food, cosmetic, and pharmaceutical industries. Full article
(This article belongs to the Special Issue Advances in Natural Polymers for Sustainable Food Packaging)
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25 pages, 1298 KB  
Article
Essential Oil Composition, Polyphenolic Profile, Macronutrients, and Antioxidant Activity of Bay Laurel Leaves from Croatia
by Dario Kremer, Marinko Petrović, Renata Jurišić Grubešić, Lovorka Vujić, Valerija Dunkić, Tatjana Prebeg and Suzana Inić
Horticulturae 2026, 12(8), 1013; https://doi.org/10.3390/horticulturae12081013 - 14 Aug 2026
Viewed by 106
Abstract
Bay laurel (Laurus nobilis L., Lauraceae) is an important Mediterranean aromatic species widely used as a culinary spice and a source of bioactive constituents. This study aimed to evaluate the essential oil (EO) composition, macronutrient content, polyphenolic profile and antioxidant activity of [...] Read more.
Bay laurel (Laurus nobilis L., Lauraceae) is an important Mediterranean aromatic species widely used as a culinary spice and a source of bioactive constituents. This study aimed to evaluate the essential oil (EO) composition, macronutrient content, polyphenolic profile and antioxidant activity of bay laurel along the Croatian Adriatic coast. A total of 49 volatile compounds were identified in dried leaves using GC–MS, representing 99.27–100.00% of the EO composition. The EOs were dominated by oxygenated monoterpenes (86.51–95.55%), with 1,8-cineole (42.40–56.83%), α-terpinyl acetate (6.89–12.76%), sabinene (6.10–8.65%), linalool (2.06–14.46%), and methyl eugenol (0.45–10.10%) as the major constituents. Polyphenolic profile obtained by spectrophotometric methods showed that total polyphenol content ranged from 6.03% to 9.65%, tannins from 1.81% to 4.76%, flavonoids from 0.23% to 0.71%, and total phenolic acids from 1.34% to 3.03% (rosmarinic acid equivalents) and 2.51% to 5.66% (chlorogenic acid equivalents). Furthermore, we highlighted the antioxidant activity of Croatian bay laurel using the 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), 2,2-diphenyl-1-picrylhydrazyl (DPPH), and ferric reducing antioxidant power (FRAP) assays. Ethanolic extracts exhibited higher antioxidant activity than aqueous extracts, reaching 74.58–82.03% ABTS inhibition and 57.93–69.54% DPPH inhibition. This study provides the first integrated characterization of Croatian bay laurel leaves and highlights their antioxidant potential. Full article
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14 pages, 281 KB  
Article
Phytochemical Screening and Antimicrobial Activity Evaluation of Armenian Chaerophyllum bulbosum L.
by Neli Ghukasyan, Naira Shaboyan, Elena Arutinian, Arshaluys Ghazaryan, Vahe Hovhannisyan, Gayane Poghosyan, Marine Hovhannisyan, Kostandin Manukyan, Greta Ulikhanyan, Sona Feschyan, Maya Hovsepyan, Lusine Danielyan, Hrachya Hovhannisyan, Naira Chichoyan and Serkos Haroutounian
Molecules 2026, 31(16), 2806; https://doi.org/10.3390/molecules31162806 - 12 Aug 2026
Viewed by 179
Abstract
This study is the first report on the chemical composition and antimicrobial activity of Chaerophyllum bulbosum L. sampled from the Armenian flora. Essential oil (EO) and hydrosol were obtained from the aerial parts by hydrodistillation, and their chemical compositions were determined by GC–MS, [...] Read more.
This study is the first report on the chemical composition and antimicrobial activity of Chaerophyllum bulbosum L. sampled from the Armenian flora. Essential oil (EO) and hydrosol were obtained from the aerial parts by hydrodistillation, and their chemical compositions were determined by GC–MS, identifying a total of 48 volatiles. The EO was composed of 60.42% monoterpenes and their oxygenated derivatives and 18.75% sesquiterpenes and their oxygenated derivatives, while the hydrosol was composed of 75% oxygenated monoterpenes, with the remaining 20% and 5% being monoterpenes and sesquiterpenoids respectively. Pulegone (21.55%) was identified as the major constituent. With regard to the non-volatile fraction, the methanolic extract displayed a total phenolic content of 1.17 ± 0.03 mg GAE/g dry weight and a total flavonoid content of 0.62 ± 0.02 mg QE/g, as well as significant antioxidant capacity, with IC50 values of 2.87 ± 0.06 μg Trolox/g dried plant sample for the DPPH assay and 46.87 ± 1.2 μmol Fe2+/g dried plant sample for the FRAP assay. The evaluation of EO and hydrosol antimicrobial properties revealed notable antibacterial activity against Gram-positive bacteria, with inhibition zones ranging from 13.5 to 20 mm. The respective minimum inhibitory concentration (MIC) values ranged from 0.4 to 6.0 mg/mL for the EO and from 62.5 to 400 μL/mL for hydrosol, while the minimum bactericidal concentration (MBC) values ranged from 0.8 to 10.0 mg/mL and from 125 to 800 μL/mL, respectively. Streptococcus mutans was the most susceptible microorganism (MIC = 0.4 mg/mL), whereas Pseudomonas aeruginosa was the most resistant (MIC = 6.0 mg/mL). Both the EO and hydrosol exhibited antifungal activity against Candida albicans, with inhibition zones of 13.0 ± 1.2 mm and 11.0 ± 0.8 mm, respectively. The MIC and MBC values were 1.0 and 2.0 mg/mL for the EO, while the respective values for the hydrosol were 400 and 800 μL/mL. These findings highlight the C. bulbosum plant as a promising source of bioactive compounds with significant activity against Gram-positive bacteria and moderate antifungal effects that may be associated with the high content of pulegone, a monoterpene known for its membrane-disruptive properties. Full article
21 pages, 3113 KB  
Article
Essential Oils as Potential Alternatives to Synthetic Fungicides for the Control of Two Fusarium Head Blight Pathogens
by Renata Žvirdauskienė, Renata Baranauskienė, Dalia Čižeikienė, Daiva Žadeikė and Simona Paulikienė
Appl. Sci. 2026, 16(16), 7959; https://doi.org/10.3390/app16167959 - 10 Aug 2026
Viewed by 250
Abstract
Fusarium head blight of cereal, caused by fungi of the genus Fusarium spp., reduces yield and accumulates mycotoxins. The increasing resistance of pathogens to synthetic fungicides encourages the search for natural alternatives. This work aims to determine the chemical composition of essential oils [...] Read more.
Fusarium head blight of cereal, caused by fungi of the genus Fusarium spp., reduces yield and accumulates mycotoxins. The increasing resistance of pathogens to synthetic fungicides encourages the search for natural alternatives. This work aims to determine the chemical composition of essential oils (EOs) of caraway, sage, and pine and to evaluate their antifungal activity against Fusarium graminearum and Fusarium culmorum. The composition of EOs was determined by gas chromatography and gas chromatography–mass spectrometry, and activity was assessed by agar dilution to determine mycelial growth inhibition and EC50, with the effect evaluated by two-way ANOVA. Caraway EO, belonging to the carvone chemotype (carvone 57.57%, limonene 35.86%), had the highest antifungal activity (EC50 = 727 ppm), sage EO (cis-thujone 29.59%, camphor 21.74%) had an average activity (EC50 = 1017 ppm), and pine EO, rich in α-pinene and δ-3-carene, had the lowest activity (EC50 > 3000 ppm). The antifungal activity was determined by the compounds’ chemical nature, not by their amount. Low EO concentrations (125–250 ppm) elicited a biphasic response, promoting mycelial growth (zero effect point ≈ 269–295 ppm); therefore, insufficient dosage could increase the risk of mycotoxin contamination. Carvone-rich caraway EO exhibited the highest antifungal activity among the oils tested and is worthy of further investigation as a potential tool for sustainable control of Fusarium head blight in cereals. Full article
(This article belongs to the Special Issue Advances in Food Safety and Microbial Control, 2nd Edition)
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17 pages, 422 KB  
Review
Protective Effects of Allicin and Garlic-Derived Interventions Against Metabolic Dysfunction-Associated Steatotic Liver Disease: Current Evidence and Mechanistic Insights
by Niuniu Sun, Yongqiang Gao, Yu Xing, Mingyang Guo, Xinyu Xu, Jingxi Hu, Zitong He, Jiapeng Luo, Sheng Li, Zhaozhao Hui and Shunming Zhang
Nutrients 2026, 18(16), 2596; https://doi.org/10.3390/nu18162596 - 7 Aug 2026
Viewed by 330
Abstract
Metabolic dysfunction-associated steatotic liver disease (MASLD) is the most prevalent chronic liver disease worldwide and poses a significant public health challenge. Allicin, a major bioactive organosulfur compound derived from garlic, has emerged as a promising candidate for MASLD prevention and management due to [...] Read more.
Metabolic dysfunction-associated steatotic liver disease (MASLD) is the most prevalent chronic liver disease worldwide and poses a significant public health challenge. Allicin, a major bioactive organosulfur compound derived from garlic, has emerged as a promising candidate for MASLD prevention and management due to its antioxidant, anti-inflammatory, and metabolic regulatory properties. Despite its potential, evidence regarding allicin’s efficacy on MASLD remains limited and heterogeneous because existing studies have evaluated different garlic-derived interventions across diverse experimental settings. This review therefore distinguishes studies of purified allicin from those of raw garlic, garlic powder, aged garlic extract, black garlic, garlic essential oil, and individual garlic compounds. Preclinical studies using allicin suggest beneficial effects on hepatic steatosis, inflammation, glucose homeostasis, and lipid metabolism. Human studies, however, have evaluated raw garlic consumption or garlic powder supplementation rather than allicin alone. Findings from other garlic preparations and individual compounds are attributed only to the intervention tested, because differences in composition, stability, bioavailability, metabolism, and pharmacological activity preclude their attribution to allicin. Moreover, the available clinical trial evidence comprises five publications derived from only two randomized controlled trials conducted in Iran, both lasting 12–15 weeks. In addition, preclinical evidence most consistently supports regulation of hepatic lipid metabolism, particularly the AMP-activated protein kinase/sterol regulatory element-binding protein-1c-related signaling, as a potential mechanism underlying the anti-steatotic effects of allicin. Additional pathways may involve inflammatory signaling, oxidative stress, gut microbiota, and bile acid-related regulation, although the evidence for several of these mechanisms remains suggestive. Nevertheless, the precise molecular targets and signaling networks underlying these effects remain incompletely understood, and the relevance of allicin to aging-related MASLD is largely unexplored because previous studies have used young animals. Future studies should incorporate aged models and long-term randomized controlled trials across diverse populations to clarify the mechanisms, therapeutic potential, and safety of allicin in MASLD. Full article
(This article belongs to the Special Issue Nutrient Interaction, Metabolic Adaptation and Healthy Aging)
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12 pages, 673 KB  
Article
Chromatographic Conditions as a Source of Analytical Variability in GC–MS Profiling of Essential Oils
by Abdessamad Beraich, Daniela Batovska, Yousra Belbachir, Hasnae El Allaoui, Krastena Nikolova, Magdalena Szechyńska-Hebda, Anass Choukoud, Burak Dikici, Khadija Haboubi, Vincent Lequart, Patrick Martin and Abdelmonaem Talhaoui
Molecules 2026, 31(16), 2744; https://doi.org/10.3390/molecules31162744 - 7 Aug 2026
Viewed by 245
Abstract
The analytical characterization of essential oils (EOs) is often interpreted primarily in terms of biological variability, although analytical conditions may also affect compositional profiling and data comparability. In this study, the influence of chromatographic conditions on gas chromatography–mass spectrometry (GC–MS) profiling was investigated. [...] Read more.
The analytical characterization of essential oils (EOs) is often interpreted primarily in terms of biological variability, although analytical conditions may also affect compositional profiling and data comparability. In this study, the influence of chromatographic conditions on gas chromatography–mass spectrometry (GC–MS) profiling was investigated. Five EOs representing chemically diverse plant matrices, including Pistacia lentiscus (resin and stem) and leaf oils from Salvia rosmarinus, Laurus nobilis, and Thymus vulgaris, were analyzed using two capillary columns with different stationary phases: RTX-5MS (5% phenyl-substituted polysiloxane) and CP-Sil 5 CB (100% dimethylpolysiloxane). Comparative analysis revealed reproducible differences in chromatographic profiles and relative peak-area distribution, particularly within terpene-rich regions containing structurally related compounds. The most pronounced effects were observed for highly volatile monoterpenes, which were underrepresented under CP conditions. These findings demonstrate that chromatographic selectivity and column geometry may affect the semi-quantitative representation of EO profiles and contribute to variability in reported compositions. Overall, the results highlight the importance of carefully controlled analytical conditions in EO characterization. Full article
(This article belongs to the Special Issue Analysis of Natural Volatile Organic Compounds (NVOCs))
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20 pages, 2422 KB  
Article
Anti-Biofilm Activity of (+)-Endo-Borneol Against Streptococcus mutans: Experimental Evaluation, Virulence Gene Expression Analysis, and Molecular Docking
by Gayane Atazhanova, Karakoz Badekova, Yana Levaya, Assel Sabiyeva, Tomas Kacergius, Vika Gabe, Irina Kadyrova, Altyn Bakenova, Almagul Makhmutova, Daniyar Sadyrbekov, Assanali Ainabayev and Elina Smagulova
Plants 2026, 15(16), 2417; https://doi.org/10.3390/plants15162417 - 7 Aug 2026
Viewed by 228
Abstract
Streptococcus mutans is the primary etiological agent of dental caries due to its ability to form acidogenic biofilms on tooth surfaces. Natural monoterpenes have attracted considerable interest as potential antibiofilm agents for oral healthcare. The present study investigated the antibiofilm activity and possible [...] Read more.
Streptococcus mutans is the primary etiological agent of dental caries due to its ability to form acidogenic biofilms on tooth surfaces. Natural monoterpenes have attracted considerable interest as potential antibiofilm agents for oral healthcare. The present study investigated the antibiofilm activity and possible mechanism of action of (+)-endo-borneol isolated from the essential oil of Achillea millefolium against S. mutans. The chemical composition of the essential oil was characterized by gas chromatography–mass spectrometry (GC–MS), and (+)-endo-borneol was isolated by chromatographic separation. Antibiofilm activity was evaluated using the crystal violet biofilm assay, while antimicrobial activity was determined by minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) assays. The influence of subinhibitory concentrations of (+)-endo-borneol on the expression of the biofilm-associated genes gtfB and yycF was assessed by quantitative real-time PCR. Molecular docking was performed to investigate ligand–protein interactions, using a ligand geometry pre-optimized by density functional theory (DFT, B3LYP/6-31G**). The essential oil inhibited S. mutans biofilm formation by up to 98%, whereas isolated (+)-endo-borneol reduced biofilm biomass by 97–98% at concentrations of 2–10 mg/mL. The MIC and MBC values of (+)-endo-borneol were 2.5 and 5.0 mg/mL, respectively. Gene expression analysis demonstrated that subinhibitory concentrations of (+)-endo-borneol modulated the transcription of gtfB and yycF, indicating activation of bacterial regulatory responses. Molecular docking revealed favorable binding of (+)-endo-borneol to biofilm-related protein targets. These findings demonstrate that (+)-endo-borneol is a promising natural antibiofilm compound with potential application in the development of novel preventive and therapeutic oral healthcare products targeting S. mutans biofilms. Full article
(This article belongs to the Section Horticultural Science and Ornamental Plants)
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36 pages, 1398 KB  
Article
A Hybrid Empirical–AI Model for Multi-Product Yield Prediction and Stochastic Uncertainty Quantification from Cocoa Residues
by Juan Carlos Vesga Ferreira, Alexander Florez Martinez and Brayan Elias Vargas Niño
Sustainability 2026, 18(16), 8039; https://doi.org/10.3390/su18168039 - 7 Aug 2026
Viewed by 184
Abstract
The inefficient management of agro-industrial residues, particularly cocoa pod husk and mucilage, represents a critical environmental and economic challenge in Santander and Norte de Santander, Colombia, where over 55,000 tons of biomass waste are generated annually from a regional production exceeding 23,500 tons [...] Read more.
The inefficient management of agro-industrial residues, particularly cocoa pod husk and mucilage, represents a critical environmental and economic challenge in Santander and Norte de Santander, Colombia, where over 55,000 tons of biomass waste are generated annually from a regional production exceeding 23,500 tons of cocoa beans. Furthermore, these residues, which constitute approximately 70% to 75% of the fruit’s total weight, are currently underutilized, generating severe localized pollution through uncontrolled decomposition and causing substantial economic losses by wasting compounds with high valorization potential. This article proposes the design and systematic experimental calibration and internal cross-validation of an empirical model based on artificial intelligence capable of predicting quantities of valuable compounds, including bioethanol, essential oils, paraffins, antioxidants, and pectins, obtained from cocoa residues. The model integrates critical variables such as cocoa variety, extraction methods, and process conditions, incorporating advanced machine learning techniques trained on a 100% empirical database of eighty-four (84) laboratory trials, combined with a post-inference sensitivity analysis via the Monte Carlo method with 10,000 simulations. Preliminary results demonstrate significant varietal differences; for instance, the CCN-51 variety achieves a mean bioethanol yield of 79.30 ± 4.96 mL/kg with a 95% confidence interval of (69.44–88.93) mL/kg, while the Criollo variety reaches 43.55 ± 2.72 mL/kg (38.14–48.84 mL/kg), exhibiting highly synchronized coefficients of variation of 6.255% and 6.246%, respectively. Furthermore, the integration of a cascading extraction sequence combined with neural networks may potentially contribute to maximizing by-product yields, with theoretical mass balance estimations suggesting a possible reduction of up to 40% in final residue generation compared to conventional isolated extraction pathways, as detailed in the proposed framework. This tool could potentially support the circular economy and alignment with Sustainable Development Goals 7, 9, and 12, while offering a possible pathway to contribute to the competitiveness of the Colombian cocoa industry through data-driven decision-making and sustainable technology adoption. Full article
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23 pages, 2493 KB  
Article
Circular Valorization of Laurel and Myrtle Pruning Residues: Chemical Profiling, Phytotoxicity, and Ecotoxicological Assessment of Essential Oils for Sustainable Weed Management
by Flavio Polito, Paola Malaspina, Annarita La Neve, Antonella Smeriglio, Laura Cornara, Vincenzo De Feo and Domenico Trombetta
Molecules 2026, 31(16), 2741; https://doi.org/10.3390/molecules31162741 - 7 Aug 2026
Viewed by 194
Abstract
The valorization of medicinal and aromatic plant by-products represents a sustainable strategy to recover bioactive compounds and reduce agricultural waste. In this study, pruning residues of Laurus nobilis L. and Myrtus communis L. were investigated as sources of essential oils (EOs) for bio-based [...] Read more.
The valorization of medicinal and aromatic plant by-products represents a sustainable strategy to recover bioactive compounds and reduce agricultural waste. In this study, pruning residues of Laurus nobilis L. and Myrtus communis L. were investigated as sources of essential oils (EOs) for bio-based weed management. Leaves and young stems were subjected to anatomical, micromorphological, and histochemical analyses to ascertain that active secretory structures were maintained. EOs were then obtained by steam distillation and characterized by GC-FID and GC-MS. Phytotoxicity was evaluated on two crop species, Hordeum vulgare L. and Raphanus sativus L., and two weed species, Lolium multiflorum Lam. and Sinapis alba L.; ecotoxicity was assessed using Artemia salina and Daphnia magna. The EOs were mainly composed of oxygenated monoterpenes, with 1,8-cineole as the dominant constituent in both oils. Phytotoxicity was species- and concentration-dependent, with M. communis EO showing the strongest inhibition, particularly against S. alba. Ecotoxicological assays revealed limited toxicity toward A. salina, but concentration-dependent immobilization of D. magna. Overall, these findings support the circular valorization of laurel and myrtle pruning residues as sources of bioactive EOs while highlighting the need for further formulation, selectivity, and environmental safety studies before agricultural application. Full article
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17 pages, 6015 KB  
Article
Cytotoxic and Apoptotic Effects of Leptospermum petersonii-Derived 6-Methyltectochrysin in A375 Melanoma Cells
by Johannes Rahlano, Boitumelo Ntisa, Lesetja Motadi and Mpho Choene
BioChem 2026, 6(3), 21; https://doi.org/10.3390/biochem6030021 - 6 Aug 2026
Viewed by 182
Abstract
Background/Objective: Melanoma is the most aggressive form of skin cancer and most common among fair-skinned people, and about 80% of fatalities are from skin lesions. The rise in deaths from melanoma worldwide has been related to a lack of access to healthcare, [...] Read more.
Background/Objective: Melanoma is the most aggressive form of skin cancer and most common among fair-skinned people, and about 80% of fatalities are from skin lesions. The rise in deaths from melanoma worldwide has been related to a lack of access to healthcare, mostly in low-income nations. Melanoma therapy using current treatments, such as cisplatin, has been beneficial. However, it has been linked to irreversible DNA damage, whereas most current treatments are either ineffective or have intolerable side effects. This study investigated the cytotoxic effects of Leptospermum petersonii extracts on A375 melanoma cells and aimed to identify at least one putative bioactive compound. L. petersonii is a well-established medicinal plant for its antimicrobial activities, and its leaves are reported to contain essential oils that suppress fungus development. However, no previous research on the effects of this herb on cancer has been reported. Methods: The sequential extraction was conducted by soaking the leaves in hexane, ethyl acetate, and methanol. The chemical 6-methyltectochrysin was effectively isolated from L. petersonii and showed cytotoxicity against melanoma cancer cells. Caspase Glo 3/7 and Annexin V-FITC–PI apoptotic tests were performed following 6-methyltectochrysin administration. Results: The findings showed cytotoxicity and possible apoptosis induction in A375 cells, and further examination using relative expression analysis revealed an increase in the pro-apoptotic Bax and a decrease in the anti-apoptotic Bcl-2 gene. Conclusions: Further research is needed to identify molecular pathways and targets of the compound 6-methyltectochrysin in melanoma cancer cells. Full article
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