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33 pages, 2605 KiB  
Article
Phytochemical Profile, Vasodilatory and Biphasic Effects on Intestinal Motility, and Toxicological Evaluation of the Methanol and Dichloromethane Extracts from the Aerial Parts of Ipomoea purpurea Used in Traditional Mexican Medicine
by Valeria Sánchez-Hernández, Francisco J. Luna-Vázquez, María Antonieta Carbajo-Mata, César Ibarra-Alvarado, Alejandra Rojas-Molina, Beatriz Maruri-Aguilar, Pedro A. Vázquez-Landaverde and Isela Rojas-Molina
Pharmaceuticals 2025, 18(8), 1134; https://doi.org/10.3390/ph18081134 - 30 Jul 2025
Viewed by 243
Abstract
Background: Cardiovascular diseases, particularly hypertension, and gastrointestinal disorders represent major public health concerns in Mexico. Although a range of pharmacological treatments exists, their use is associated with adverse effects, highlighting the need for safer therapeutic alternatives. Species of the Ipomoea genus are widely [...] Read more.
Background: Cardiovascular diseases, particularly hypertension, and gastrointestinal disorders represent major public health concerns in Mexico. Although a range of pharmacological treatments exists, their use is associated with adverse effects, highlighting the need for safer therapeutic alternatives. Species of the Ipomoea genus are widely employed in Mexican traditional medicine (MTM) for their purgative, anti-inflammatory, analgesic, and sedative properties. Particularly, Ipomoea purpurea is traditionally used as a diuretic and purgative; its leaves and stems are applied topically for their anti-inflammatory and soothing effects. This study aimed to determine their phytochemical composition and to evaluate the associated vasodilatory activity, modulatory effects on intestinal smooth-muscle motility, and toxicological effects of the methanolic (ME-Ip) and dichloromethane (DE-Ip) extracts obtained from the aerial parts of I. purpurea. Methods: The phytochemical composition of the ME-Ip and DE-Ip extracts of I. purpurea was assessed using UPLC-QTOF-MS and GC-MS, respectively. For both extracts, the vasodilatory activity and effects on intestinal smooth muscle were investigated using ex vivo models incorporating isolated rat aorta and ileum, respectively, whereas acute toxicity was evaluated in vivo. Results: Phytochemical analysis revealed, for the first time, the presence of two glycosylated flavonoids within the Ipomoea genus; likewise, constituents with potential anti-inflammatory activity were detected. The identified compounds in I. purpurea extracts may contribute to the vasodilatory, biphasic, and purgative effects observed in this species. The EC50 values for the vasodilatory effects of the methanolic (ME-Ip) and dichloromethane (DE-Ip) extracts were 0.80 and 0.72 mg/mL, respectively. In the initial phase of the experiments on isolated ileal tissues, both extracts induced a spasmodic (contractile) effect on basal motility, with ME-Ip exhibiting higher potency (EC50 = 27.11 μg/mL) compared to DE-Ip (EC50 = 1765 μg/mL). In contrast, during the final phase of the experiments, both extracts demonstrated a spasmolytic effect, with EC50 values of 0.43 mg/mL for ME-Ip and 0.34 mg/mL for DE-Ip. In addition, both extracts exhibited low levels of acute toxicity. Conclusions: The phytochemical profile and the vasodilatory and biphasic effects of the I. purpurea extracts explain, in part, the use of I. purpurea in MTM. The absence of acute toxic effects constitutes a preliminary step in the toxicological safety assessment of I. purpurea extracts and demonstrates their potential for the development of phytopharmaceutic agents as adjuvants for the treatment of cardiovascular and gastrointestinal disorders. Full article
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18 pages, 2151 KiB  
Article
Polyphenol Profile and Biological Activity of the Extracts from Sideritis scardica Griseb. (Lamiaceae) Herb
by Magdalena Walasek-Janusz, Krzysztof Kamil Wojtanowski, Rafał Papliński, Agnieszka Grzegorczyk and Renata Nurzyńska-Wierdak
Pharmaceuticals 2025, 18(8), 1121; https://doi.org/10.3390/ph18081121 - 27 Jul 2025
Viewed by 187
Abstract
Background/Objectives: The beneficial and multifaceted effects of Sideritis scardica Griseb. extracts are attributed to the presence of polyphenolic compounds, particularly phenolic acids. Methods: The research was carried out for S. scardica herb of different origins (Albania, Bulgaria, North Macedonia, and Türkiye). Identification of [...] Read more.
Background/Objectives: The beneficial and multifaceted effects of Sideritis scardica Griseb. extracts are attributed to the presence of polyphenolic compounds, particularly phenolic acids. Methods: The research was carried out for S. scardica herb of different origins (Albania, Bulgaria, North Macedonia, and Türkiye). Identification of compounds was performed using the HPLC/ESI-QTOF-MS method; phenolic acids and flavonoids were determined spectrophotometrically. The antioxidant activity of methanol extracts from studied herbs was determined using the Folin–Ciocalteu, DPPH, and FRAP methods, and the antimicrobial activity was evaluated using the broth microdilution method in accordance with the guidelines of the European Committee on Antimicrobial Susceptibility Testing (EUCAST). Results: We demonstrated the presence 18–20 active compounds, depending on the origin of the raw material, with verbascoside being the predominant compound in all samples. The raw material was characterized by significant polyphenol content and high antioxidant activity. DPPH tests revealed the highest antioxidant activity, ranging from 86.5% to 87.9%, in samples from Bulgaria, North Macedonia, and Türkiye, and the latter showed the strongest antimicrobial activity, particularly against Gram-positive pathogens and Candida spp. Conclusions: This research is the first report comparing the chemical composition and biological activity of S. scardica raw material of different origins. Our findings indicate that S. scardica herb extracts have significant phytotherapeutic potential, although this varies depending on the origin of the raw material, and point to the need for further research on this plant material, particularly in terms of the level of active compounds and their possible synergistic effects with conventional drugs, as well as the need for standardization. Full article
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29 pages, 4148 KiB  
Article
Metabolomic and Pharmacological Approaches for Exploring the Potential of Tanacetum parthenium L. Root Culture as a Source of Bioactive Phytochemicals
by Aurelio Nieto-Trujillo, Rosendo Luria-Pérez, Francisco Cruz-Sosa, Carmen Zepeda-Gómez, María G. González-Pedroza, Cristina Burrola-Aguilar, Armando Sunny, José Correa-Basurto, José A. Guerrero-Analco, Juan L. Monribot-Villanueva and María Elena Estrada-Zúñiga
Int. J. Mol. Sci. 2025, 26(15), 7209; https://doi.org/10.3390/ijms26157209 - 25 Jul 2025
Viewed by 478
Abstract
Tanacetum parthenium (Asteraceae) has been traditionally used worldwide for medicinal purposes, and some of its therapeutic uses have been attributed to the pharmacological effects of its secondary metabolites. The root culture of this species might represent a sustainable source of several pharmacologically active [...] Read more.
Tanacetum parthenium (Asteraceae) has been traditionally used worldwide for medicinal purposes, and some of its therapeutic uses have been attributed to the pharmacological effects of its secondary metabolites. The root culture of this species might represent a sustainable source of several pharmacologically active compounds. The biomass of a root T. parthenium culture was extracted with methanol and fractionated using column chromatography. Three selected fractions (4TP, 5TP, and 8TP) were analyzed via spectrophotometric, chromatographic, and mass spectrometry techniques and in vitro pharmacological assays. The greatest values for total phenolic and phenolic acid contents and antibacterial activity against Escherichia coli were determined for 4TP. The highest values for total flavonoid and sesquiterpene lactone contents, antioxidant potential, and α-amylase inhibitory effect were determined for 8TP. The antibacterial effect against Staphylococcus aureus was not significantly different among the three fractions. The root culture of T. parthenium is a potential source of several metabolites, such as phenolic acids, fatty acids, coumarins, sesquiterpenoids, and triterpenoids, which are capable of exerting α-amylase inhibition and antioxidant, antibacterial, and cytotoxic effects. Among eight phenolic compounds detected and quantified in the fractions, chlorogenic acid was the most abundant. Full article
(This article belongs to the Special Issue Plant Phenolic Accumulation and Application in Human Diseases)
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16 pages, 776 KiB  
Article
Phytochemical Profile and Functional Properties of the Husk of Argania spinosa (L.) Skeel
by Antonietta Cerulli, Natale Badalamenti, Francesco Sottile, Maurizio Bruno, Sonia Piacente, Vincenzo Ilardi, Rosa Tundis, Roberta Pino and Monica Rosa Loizzo
Plants 2025, 14(15), 2288; https://doi.org/10.3390/plants14152288 - 24 Jul 2025
Viewed by 236
Abstract
Due to the limited scientific exploration of Argania spinosa (L.) skeel husk, this study presents the first investigation of the metabolite profile of methanol and acetone extracts analyzed by liquid chromatography coupled with electrospray ionization and high-resolution multistage mass spectrometry (LC-ESI/HRMSMS). A total [...] Read more.
Due to the limited scientific exploration of Argania spinosa (L.) skeel husk, this study presents the first investigation of the metabolite profile of methanol and acetone extracts analyzed by liquid chromatography coupled with electrospray ionization and high-resolution multistage mass spectrometry (LC-ESI/HRMSMS). A total of 43 compounds, including hydroxycinnamic acid and flavonoid derivatives, saponins, and triterpenic acids, were identified, some of which have not been previously reported in this species. The total phenols (TPC) and flavonoids (TFC) content were spectrophotometrically determined. A multi-target approach was applied to investigate the antioxidant potential using 1,1-Diphenyl-2-picrylhydrazyl (DPPH), 2,2-azino-bis-3-ethylbenzothiazoline-6-sulphonic acid (ABTS), β-carotene bleaching, and Ferric Reducing Ability Power (FRAP) tests. Carbohydrate hydrolyzing enzymes and lipase inhibitory activities were also assessed. The acetone extract exhibited the highest TPC and TFC values, resulting in being the most active in β-carotene bleaching test with IC50 values of 26.68 and 13.82 µg/mL, after 30 and 60 min of incubation, respectively. Moreover, it was the most active against both α-glucosidase and α-amylase enzymes with IC50 values of 12.37 and 18.93 µg/mL, respectively. These results pointed out that this by-product is a rich source of bioactive phytochemicals potentially useful for prevention of type 2 diabetes and obesity. Full article
(This article belongs to the Section Phytochemistry)
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15 pages, 3673 KiB  
Article
Photodegradation Assessment of Calcipotriol in the Presence of UV Absorbers by UHPLC/MSE
by Małgorzata Król, Paweł Żmudzki, Adam Bucki and Agata Kryczyk-Poprawa
Appl. Sci. 2025, 15(15), 8124; https://doi.org/10.3390/app15158124 - 22 Jul 2025
Viewed by 328
Abstract
Calcipotriol, a synthetic vitamin D3 analogue widely used in psoriasis treatment, requires a detailed stability assessment due to its topical application and potential exposure to UV radiation. As a drug applied directly to the skin, calcipotriol is particularly susceptible to photodegradation, which [...] Read more.
Calcipotriol, a synthetic vitamin D3 analogue widely used in psoriasis treatment, requires a detailed stability assessment due to its topical application and potential exposure to UV radiation. As a drug applied directly to the skin, calcipotriol is particularly susceptible to photodegradation, which may affect its therapeutic efficacy and safety profile. The present study focuses on the analysis of calcipotriol photostability. An advanced UHPLC/MSE method was employed for the precise determination of calcipotriol and its degradation products. Particular attention was given to the effects of commonly used organic UV filters—approved for use in cosmetic products in both Europe and the USA (benzophenone-3, dioxybenzone, meradimate, sulisobenzone, homosalate, and avobenzone)—on the stability of calcipotriol. Unexpected degradation of calcipotriol was observed in the presence of sulisobenzone. Importantly, this effect was consistently detected in methanolic solution and in the pharmaceutical formulation containing calcipotriol and betamethasone, which is particularly significant from a practical perspective. This finding underscores the necessity of evaluating photostability under real-life conditions, as cosmetic ingredients, when co-applied with topical drugs on the skin, may substantially influence the stability profile of the pharmaceutical active ingredient. The research resulted in the first-time characterization of four degradation products of calcipotriol. The degradation process was found to primarily affect the E-4-cyclopropyl-4-hydroxy-1-methylbut-2-en-1-yl moiety, causing its isomerization to the Z isomer and the formation of diastereomers with either the R or S configuration. Computational analyses using the OSIRIS Property Explorer indicated that none of the five degradation products exhibit a toxicity effect, whereas molecular docking studies suggested possible binding of two of the five degradation products of calcipotriol with the VDR. Full article
(This article belongs to the Section Chemical and Molecular Sciences)
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22 pages, 8519 KiB  
Article
RNA-Seq Analysis of MCF-7 Breast Cancer Cells Treated with Methyl Gallate Isolated from the Rhizomes of Nymphaea Odorata L. Shows Upregulation of Apoptosis, Autophagy, and Unfolded Protein Canonical Pathways
by Nishikant A. Raut, Pinal N. Kanabar, Mark Maienschein-Cline, Nina S. Los, Zarema Arbieva, Temitope O. Lawal, Shitalben Patel and Gail B. Mahady
Molecules 2025, 30(14), 3022; https://doi.org/10.3390/molecules30143022 - 18 Jul 2025
Viewed by 303
Abstract
The effects of a methanol extract of Nymphaea odorata (MeNO) rhizomes, its fractions and the active compound (methyl gallate, MeG) were investigated in estrogen receptor-positive (ER+) breast cancer cell lines MCF-7 and T47-D:A18, as well as ER-negative line SKBr3. Cell viability and cytotoxicity [...] Read more.
The effects of a methanol extract of Nymphaea odorata (MeNO) rhizomes, its fractions and the active compound (methyl gallate, MeG) were investigated in estrogen receptor-positive (ER+) breast cancer cell lines MCF-7 and T47-D:A18, as well as ER-negative line SKBr3. Cell viability and cytotoxicity were determined using CellTiter-Glo® 2.0 assays at concentrations ranging from 1 to 100 μg/mL. Caspase activity and apoptosis were determined using Caspase-Glo® 3/7, Caspase-Glo® 8, and ApoTox-Glo™ triplex assays, as well as qPCR. Total RNA was isolated from MCF-7 cells treated with MeG. RNA-seq libraries were prepared using a Universal Plus mRNASeq kit, and sequencing was performed on a NovaSeq 6000. MeNO inhibited the growth of MCF-7 cells with an IC50 of 14.1 μg/mL, as well as T47-D:A18 (IC50 of 25.6 μg/mL) and SKBr3 cells (IC50 of 35.5 μg/mL). Bioassay-guided fractionation of MeNO in MCF-7 cells identified the active fraction containing one compound, namely methyl gallate (MeG). MeG had an IC50 of 8.6 μg/mL in MCF-7 cells. Transcriptomic analysis of MeG-treated MCF-7 cells showed differential expression of 10,634 genes, with 5643 upregulated and 4991 downregulated (FDR < 0.05). Ingenuity pathway analysis revealed the involvement of 43 canonical pathways, with the top upregulated pathways including apoptosis, autophagy, and the unfolded protein response pathways. Full article
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23 pages, 9320 KiB  
Article
Evaluation of the Cytotoxicity, Genotoxicity and Acute Oral Toxicity of Thymus longicaulis subsp. chaubardii (Rchb.f.) Jalas
by Ayfer Beceren, Ayse Nur Hazar-Yavuz, Ozlem Bingol Ozakpinar, Duygu Taskin, Ismail Senkardes, Turgut Taskin, Ozlem Tugçe Cilingir-Kaya, Ahmad Kado, Elif Caliskan Salihi and Hatice Kubra Elcioglu
Pharmaceuticals 2025, 18(7), 1037; https://doi.org/10.3390/ph18071037 - 12 Jul 2025
Viewed by 387
Abstract
Background/Objectives: Thymus longicaulis subsp. chaubardii (TL) (Rchb.f.) Jalas is widely used in traditional Turkish medicine for respiratory, digestive and uro-genital disorders. The aim of this study was to determine its phytochemical profile and to evaluate its cytotoxic, genotoxic and acute oral toxicity [...] Read more.
Background/Objectives: Thymus longicaulis subsp. chaubardii (TL) (Rchb.f.) Jalas is widely used in traditional Turkish medicine for respiratory, digestive and uro-genital disorders. The aim of this study was to determine its phytochemical profile and to evaluate its cytotoxic, genotoxic and acute oral toxicity effects. Methods: The phenolic composition of the methanolic extract was determined by HPLC-DAD. Cytotoxicity and genotoxicity were evaluated in NIH3T3 cells using MTT, comet and micronucleus assays. Acute toxicity was evaluated in rats at doses of 300 and 2000 mg/kg body weight according to the OECD Guideline 420. Results: Rosmarinic acid (87.37 ± 5.39 µg/mg) was the major phenolic compound. TL extract showed >90% cell viability at 50–200 µg/mL, indicating no cytotoxicity. Comet assay revealed a slight increase in DNA damage at 100–200 µg/mL (p < 0.001), though significantly lower than the H2O2 group (p < 0.001). No significant (p > 0.05) effect was observed in the micronucleus assay between the treated groups. In rats, TL extract caused no mortality or behavioral changes over 14 days. No significant differences were observed in body or organ weights. Hematologically, platelet count increased (p < 0.001) and eosinophils decreased (p < 0.01 and p < 0.001). Biochemical tests showed lower ALT and AST levels (p < 0.01 and p < 0.05, respectively) and significantly decreased triglycerides in the high-dose group (p < 0.001). Histopathological examination showed no organ damage. Conclusions: The results of this study indicate that TL methanol extract is non-toxic up to 2000 mg/kg and exhibits no significant cytotoxic or genotoxic effects. These findings support its safe use and traditional medicinal value. Full article
(This article belongs to the Section Natural Products)
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20 pages, 2076 KiB  
Article
Selection of Roasting Conditions in the Valorization Process of Cornelian Cherry Stones
by Radosław Spychaj, Dominika Przybylska, Małgorzata Szachniewicz, Narcyz Piórecki and Alicja Z. Kucharska
Molecules 2025, 30(14), 2900; https://doi.org/10.3390/molecules30142900 - 8 Jul 2025
Viewed by 507
Abstract
The aim of the study was to assess the effect of time (20–50 min) and temperature (160–220 °C) of roasting on the physicochemical and antioxidant properties of cornelian cherry (Cornus mas L.) stones and to select extraction solvents (water and 50% and [...] Read more.
The aim of the study was to assess the effect of time (20–50 min) and temperature (160–220 °C) of roasting on the physicochemical and antioxidant properties of cornelian cherry (Cornus mas L.) stones and to select extraction solvents (water and 50% and 80% methanol) to obtain reliable results. To maintain the highest content of bioactive compounds with a high level of antioxidant properties, roasting at a temperature of 160–180 °C for 30–40 min should be considered optimal. Incorrect selection of roasting parameters (>40 min and >200 °C) causes a significant reduction in the bioactive properties of roasted stones. Regression analysis showed a different nature of changes in the determined features during the roasting process at 160 °C than at other temperatures. The use of methanol, especially at a high concentration (80%), to assess the content of bioactive compounds in roasted cornelian cherry stones provides more reliable results. Full article
(This article belongs to the Section Natural Products Chemistry)
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16 pages, 1400 KiB  
Article
Production of Biodiesel Employing Chlorella vulgaris Biomass Cultivated in Poultry Effluents
by Nayeli Gutiérrez-Casiano, Joaquín Estrada-García, Karla Díaz-Castellanos, José Vicente-Martínez, César Antonio Ortiz-Sánchez and Eduardo Hernández-Aguilar
Fuels 2025, 6(3), 53; https://doi.org/10.3390/fuels6030053 - 8 Jul 2025
Viewed by 990
Abstract
Alternative energies have become relevant in global strategies to address climate change, and third-generation biodiesel derived from the generation of lipids from microalgae represents a viable option. This process can also be coupled with wastewater treatment to remove organic matter. To determine the [...] Read more.
Alternative energies have become relevant in global strategies to address climate change, and third-generation biodiesel derived from the generation of lipids from microalgae represents a viable option. This process can also be coupled with wastewater treatment to remove organic matter. To determine the effects of two catalyst levels (1 and 1.5% KOH) and two molar ratios of alcohol (methanol) with oil (1:6 and 1:9) on the conversion of lipids into FAMEs and the quality of the biodiesel produced, this work suggests a method for the ultrasonication-based extraction of lipids from C. vulgaris. It also employs an experimental 22 design and three replicates. It was found that with a molar ratio of 1:9 and a 1% catalyst, the highest yield of 98.48 ± 1.13% was achieved. The FAME profile was similar to the profiles obtained in cultures with bold basal medium or INETI. The quality of the biodiesel met ASTM standards, achieving refractive indices of 1.435–1.478. The flash point (FP) was 165 ± 18 °C, and the acid number was 0.31 ± 0.17 mg KOH/g. The viscosity ranged from 4.33 to 4.87 mm2/s. However, the rheological behavior was correlated with the Ostwald–de Waele model with pseudoplastic behavior. Full article
(This article belongs to the Special Issue Biofuels and Bioenergy: New Advances and Challenges)
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21 pages, 1507 KiB  
Article
Physicochemical Properties, Antioxidant and Antibacterial Activities and Anti-Hepatocarcinogenic Effect and Potential Mechanism of Schefflera oleifera Honey Against HepG2 Cells
by Jingjing Li, Jie Wang, Yicong Wang and Wenchao Yang
Foods 2025, 14(13), 2376; https://doi.org/10.3390/foods14132376 - 4 Jul 2025
Viewed by 461
Abstract
Schefflera oleifera honey (SH) is produced from the nectar of S. Oleifera by worker bees. Due to its unique properties and potential biological activities, this winter honey has attracted much attention. In this study, the physicochemical characteristics, antioxidant and antibacterial activities, antitumor effect [...] Read more.
Schefflera oleifera honey (SH) is produced from the nectar of S. Oleifera by worker bees. Due to its unique properties and potential biological activities, this winter honey has attracted much attention. In this study, the physicochemical characteristics, antioxidant and antibacterial activities, antitumor effect against HepG2 cells, and its potential mechanisms of SH were systematically evaluated. The results showed that different SH samples differed significantly in their physicochemical characteristics. The 910 chemical components, including 52 kinds of phenols, phenolic acids, and flavonoids, were detected in the methanol extract of SH using UHPLC-MS/MS by non-targeted metabolomics. Based on our limited knowledge, solanine and soyasaponin I are the first determined components in honey, and they may be used as characteristic substances of SH for identification and adulteration. SH had a weaker inhibitory effect against Salmonella typhimurium and Staphylococcus aureus than MH (UMF 10+), analyzed by MBC and MIC assays. Network pharmacology analysis showed that 95 overlapping targets were found between the active ingredients of SH and liver cancer cells (HepG2), which were enriched in KEGG of the PI3K-Akt pathway, Lipid and atherosclerosis, Proteoglycans in cancer, etc. The IC50 of SH against HepG2 cells was 5.07% (dw/v), which is lower than the glucose, fructose, and sucrose contents in SH on HepG2 cells, of 16.24%, 9.60% dw/v, and 9.94% dw/v, respectively. SH significantly down-regulated the expression of EGFR, AKT1, and SRC in HepG2 cells (p < 0.05), determined by an enzyme-linked immunosorbent assay kit, and induced cell cycle arrest and apoptosis by multiple pathways. These results provide a theoretical basis for its potential application in developing functional foods and additives. Full article
(This article belongs to the Section Food Physics and (Bio)Chemistry)
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22 pages, 2428 KiB  
Article
Assessment of Metabolic Alterations Induced by Halogenated Additives and Antifungal Activity of Extracts from the Endophytic Fungus Fusarium sp. Associated with Dizygostemon riparius (Plantaginaceae)
by Hilzimar de Jesus Freitas Sá, Anne Karoline Maiorana Santos, Adriano Souza Fonseca, Lourivaldo da Silva Santos, Josivan Regis Farias, Rosane Nassar Meireles Guerra, Edson Rodrigues-Filho, Gilmar Silverio da Silva, Cleydlenne Costa Vasconcelos, Alberto Jorge Oliveira Lopes and Antônio José Cantanhede Filho
Metabolites 2025, 15(7), 451; https://doi.org/10.3390/metabo15070451 - 4 Jul 2025
Viewed by 345
Abstract
Background/Objectives: Endophytic fungi are valuable sources of bioactive compounds with potential therapeutic applications. This study aimed to evaluate the antifungal activity of secondary metabolites produced by Fusarium sp. isolated from Dizygostemon riparius, with particular focus on the impact of culture medium [...] Read more.
Background/Objectives: Endophytic fungi are valuable sources of bioactive compounds with potential therapeutic applications. This study aimed to evaluate the antifungal activity of secondary metabolites produced by Fusarium sp. isolated from Dizygostemon riparius, with particular focus on the impact of culture medium supplementation with halogenated and metallic additives on metabolite production. Methods: The fungus was cultivated in standard Czapek medium and media supplemented with NH4Br or MnCl2. Methanolic extracts were obtained, fractionated, and chemically characterised via LC-ESI-HRMS. In vitro antifungal assays, including MIC and MFC determinations and biofilm inhibition tests, were performed against Candida albicans strains. In vivo toxicity and efficacy were assessed using Tenebrio molitor larvae. Results: Fifteen metabolites were annotated, including known antifungals such as fusaric acid and cyclosporin A. Fractions EMBr4 and EMC5 demonstrated fungicidal activity with MIC values close to fluconazole and significantly inhibited biofilm formation and maturation. In vivo, these fractions displayed low acute toxicity and improved survival in infected larvae, comparable to fluconazole treatment. Conclusions: The results indicate that culture medium modulation enhances the production of bioactive metabolites by Fusarium sp., leading to extracts with notable antifungal efficacy and safety. EMBr4 and EMC5 are promising candidates for further development as antifungal agents, particularly for targeting biofilm-associated Candida infections. These findings support the potential of endophytic fungi as sources of novel therapeutics and warrant further mechanistic and pharmacological investigations. Full article
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20 pages, 3241 KiB  
Article
Amperometric Alcohol Vapour Detection and Mass Transport Diffusion Modelling in a Platinum-Based Sensor
by Luke Saunders, Ronan Baron and Benjamin R. Horrocks
Electrochem 2025, 6(3), 24; https://doi.org/10.3390/electrochem6030024 - 3 Jul 2025
Viewed by 338
Abstract
An important class of analytes are volatile organic carbons (VOCs), particularly aliphatic primary alcohols. Here, we report the straightforward modification of a commercially available carbon monoxide sensor to detect a range of aliphatic primary alcohols at room temperature. The mass transport mechanisms governing [...] Read more.
An important class of analytes are volatile organic carbons (VOCs), particularly aliphatic primary alcohols. Here, we report the straightforward modification of a commercially available carbon monoxide sensor to detect a range of aliphatic primary alcohols at room temperature. The mass transport mechanisms governing the performance of the sensor were investigated using diffusion in multiple layers of the sensor to model the response to an abrupt change in analyte concentration. The sensor was shown to have a large capacitance because of the nanoparticulate nature of the platinum working electrode. It was also shown that the modified sensor had performance characteristics that were mainly determined by the condensation of the analyte during diffusion through the membrane pores. The sensor was capable of a quantitative amperometric response (sensitivity of approximately 2.2 µA/ppm), with a limit of detection (LoD) of 17 ppm methanol, 2 ppm ethanol, 3 ppm heptan-1-ol, and displayed selectivity towards different VOC functional groups (the sensor gives an amperometric response to primary alcohols within 10 s, but not to esters or carboxylic acids). Full article
(This article belongs to the Special Issue Feature Papers in Electrochemistry)
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23 pages, 4426 KiB  
Article
Laser Microinterferometry for API Solubility and Phase Equilibria: Darunavir as a Case Example
by Veronika Makarova, Mark Mandrik and Sergey Antonov
Pharmaceutics 2025, 17(7), 875; https://doi.org/10.3390/pharmaceutics17070875 - 3 Jul 2025
Viewed by 394
Abstract
Background: The solubility and phase behavior of APIs are crucial for the development of medicines and ensuring their stability. However, conventional experimental approaches often do not allow for the precise determination of phase transitions and solubility limits, especially for poorly soluble compounds. Purpose: [...] Read more.
Background: The solubility and phase behavior of APIs are crucial for the development of medicines and ensuring their stability. However, conventional experimental approaches often do not allow for the precise determination of phase transitions and solubility limits, especially for poorly soluble compounds. Purpose: The aim of this study was to demonstrate the possibility of using the laser microinterferometry method, traditionally used to define the phase equilibria of polymer systems, to determine the thermodynamic solubility of the APIs. Methods: Using laser microinterferometry, the thermodynamic solubility and phase behavior of amorphous darunavir were determined in various pharmaceutical solvents, including vaseline and olive oils, water, glycerol, alcohols (methanol, ethanol, isopropanol), glycols (propylene glycol, polyethylene glycol 400, polypropylene glycol 425, polyethylene glycol 4000), and ethoxylated polyethylene glycol ether obtained from castor oil in the temperature range of 25–130 °C. Dissolution kinetics was estimated at 25 °C. Hansen solubility parameter calculations were also performed for comparison. Results: Darunavir is practically insoluble in olive and vaseline oils. In water and glycerol, an amorphous equilibrium with an upper critical solution temperature was observed, and phase diagrams were constructed for the first time. In alcohols, glycols, and ethoxylated polyethylene glycol ether obtained from castor oil, darunavir showed high solubility, accompanied by the formation of crystalline solvates. Kinetic evaluation showed that the dissolution rate of darunavir in methanol is four times faster than in ethanol and thirty times faster than in isopropanol. Comparison of the obtained data with previously published and calculated values of solubility parameters demonstrates a good correlation. Conclusions: Laser microinterferometry has been demonstrated as a potential tool for determining the thermodynamic solubility of APIs. This method allows for directly observing the dissolution process, determining the solubility limits, and detecting phase transitions. These studies are necessary for selecting appropriate excipients, preventing the formation of undesirable solvates and predicting formulation stability, which are all critical factors in early-stage drug development and pharmaceutical formulation design. Full article
(This article belongs to the Section Physical Pharmacy and Formulation)
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15 pages, 3364 KiB  
Article
A Comparison of the Cost-Effectiveness of Alternative Fuels for Shipping in Two GHG Pricing Mechanisms: Case Study of a 24,000 DWT Bulk Carrier
by Jinyu Zou, Penghao Su and Chunchang Zhang
Sustainability 2025, 17(13), 6001; https://doi.org/10.3390/su17136001 - 30 Jun 2025
Viewed by 569
Abstract
The 83rd session of the IMO Maritime Environment Protection Committee (MEPC 83) approved a global pricing mechanism for the shipping industry, with formal adoption scheduled for October 2025. Proposed mechanisms include the International Maritime Sustainable Fuels and Fund (IMSF&F) and a combined approach [...] Read more.
The 83rd session of the IMO Maritime Environment Protection Committee (MEPC 83) approved a global pricing mechanism for the shipping industry, with formal adoption scheduled for October 2025. Proposed mechanisms include the International Maritime Sustainable Fuels and Fund (IMSF&F) and a combined approach integrating GHG Fuel Standards with Universal GHG Contributions (GFS&UGC). This study developed a model based on the marginal abatement cost curve (MACC) methodology to assess the cost-effectiveness of alternative fuels under both mechanisms. Sensitivity analyses evaluated the impacts of fuel prices, carbon prices, and the GHG Fuel Intensity (GFI) indicator on MAC. Results indicate that implementing the GFS&UGC mechanism yields higher net present values (NPVs) and lower MACs compared to IMSF&F. Introducing universal GHG contributions promotes a comparatively fairer transition to sustainable shipping fuels. Investments in zero- or near-zero-fueled (ZNZ) ships are unlikely to be recouped by 2050 unless carbon prices rise sufficiently to boost revenues. Bio-Methanol and bio-diesel emerged as the most cost-competitive ZNZ options in the long term, while e-Methanol’s poor competitiveness stems from its extremely high price. Both pooling costs and universal GHG levies significantly reduce LNG’s economic viability over the study period. MACs demonstrated greater sensitivity to fuel prices (Pfuel) than to carbon prices (Pcarbon) or GFI within this study’s parameterization scope, particularly under GFS&UGC. Ratios of Pcarbon%/Pfuel% in equivalent sensitivity scenarios were quantified to determine relative price importance. This work provides insights into fuel selection for shipping companies and supports policymakers in designing effective GHG pricing mechanisms. Full article
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Article
Phytochemical Analysis and Chymotrypsin Inhibitory Potential of Galium sp. and Solidago sp. via Effect-Directed HPTLC Bioassay
by Bartosz Rył and Izabela Jasicka-Misiak
Molecules 2025, 30(13), 2746; https://doi.org/10.3390/molecules30132746 - 26 Jun 2025
Viewed by 355
Abstract
Chymotrypsin inhibitors were initially considered mainly as anti-nutritional factors. However, the potential for their use as therapeutics has been recognized, particularly in the control of cancer, neurodegenerative diseases, and inflammatory processes. The search for new, effective, and safe chymotrypsin inhibitors has become important [...] Read more.
Chymotrypsin inhibitors were initially considered mainly as anti-nutritional factors. However, the potential for their use as therapeutics has been recognized, particularly in the control of cancer, neurodegenerative diseases, and inflammatory processes. The search for new, effective, and safe chymotrypsin inhibitors has become important not only for food and feed safety reasons, but also in the search for new compounds with potential for use in the pharmaceutical industry. Oxidative stress is also an integral etiological factor in the development of the aforementioned pathological conditions. Antioxidants supplied with food can have an impact on reducing the probability of developing these diseases. Herbaceous plants are a valuable reservoir of biologically active chemical compounds, which can show both inhibitory effects against a number of enzymatic reactions and have antioxidant activity. The compounds found within them are also often characterized by higher bioavailability and safety than their synthetic analogs. In the present study, phytochemical characterization of plant materials Galium aparine L., Galium verum L., Solidago virgaurea L. and Solidago canadensis L. was performed, in order to search for new, potential substances with chymotrypsin inhibitor and antioxidant properties. Antioxidant and inhibitory activities against chymotrypsin were determined using effect-directed HPTLC. The total content of phenolic compounds and flavonoids and antioxidant activity were also determined in UV-Vis spectrophotometric tests. Both plant species showed antioxidant and chymotrypsin inhibitory activity. Among the methanol and methanol:water extracts, the extracts from Solidago sp. showed stronger inhibitory and antioxidant activity. However, in the case of dichloromethane extracts, Galium aparine inhibited chymotrypsin activity in a stronger manner than Solidago sp. The results indicate the application potential of compounds obtained from these plants as chymotrypsin inhibitors and antioxidant agents. Full article
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