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Green propolis, particularly from the unique flora of the Brazilian Caatinga biome, has gained significant interest due to its diverse chemical composition and biological activities. This study focuses on the chemical characterization and antimicrobial evaluation of Caatinga green propolis. Twelve compounds were isolated through different chromatographic techniques, including flavanones (naringenin, 7-O-methyleriodictyol, sakuranetin), flavones (hispidulin, cirsimaritin), flavonols (quercetin, quercetin-3-methyl ether, kaempferol, 6-methoxykaempferol, viscosine, penduletin), and one chalcone (kukulkanin B). Using liquid chromatography–quadrupole time-of-flight tandem mass spectrometry (LC-QToF-MS), a total of 55 compounds excluding reference standards were tentatively identified, which include flavonoids, phenolic acids derivatives, and alkaloids, with flavonols, flavanones, and flavones being predominant. Antimicrobial testing against pathogens revealed that the crude extract exhibited low inhibitory activity, against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant Enterococcus faecium (VRE) (IC50: 148.4 and 120.98 µg/mL, respectively). Although the isolated compounds showed limited individual activity, a fraction containing sakuranetin and penduletin (Fraction 8) exhibited moderated activity against Cryptococcus neoformans (IC50: 47.86 µg/mL), while a fraction containing quercetin and hispidulin showed moderated activity against VRE (IC50: 16.99 µg/mL). These findings highlight the potential application of Caatinga green propolis as an antimicrobial agent, particularly against resistant bacterial strains, and underscore the importance of synergistic interactions between compounds in enhancing biological effects. [ABSTRACT FROM AUTHOR]

The Algerian endemic plant Ammoides atlantica (Coss. et Durieu) H. Wolff was studied for the chemical profiling and biological activities of its essential oil (EO) and ethanolic extract (EE). The chemical analysis by GC/MS and HPLC/DAD/UV revealed, respectively, the major compounds thymol (39.46%), γ- terpinene (31.74%), and p-cymene (19.01%) in the EO, and apigenin (33.58%), luteolin 7-O-glucoside (20.09%), and luteolin (14.39%) in the EE. The EO exhibited strong antioxidant activity, with a significant ABTS•+ scavenging capacity (IC50 = 2.79 µg/mL) compared to EE, Trolox, and BHT. The EE showed comparable effects to BHT in DPPH scavenging and reducing power tests. Moreover, the EO demonstrated noteworthy antibacterial activity against S. aureus, E. coli, and P. aeruginosa, with inhibition zone diameters ranging from 32.1 to 70 mm and MICs below 0.3 to 5 mg/mL. Furthermore, the EE exhibited strong antiinflammatory activity by inhibiting hemolysis of red blood cells >70% at a concentration of 20 µg/mL. [ABSTRACT FROM AUTHOR]

Six Corsican essential oils (EOs) from Humulus lupulus were studied for their activity against Varroa destructor adults and Apis mellifera pupae. The GC/MS analysis of EOs showed that the major compounds of all accessions were α-Humulene, Myrcene, α-Selinene, β-Selinene, (E)-β-Farnesene, and (E)-β-Caryophyllene. Bioassays showed that EOs from each accession acted as toxins and repellents against V. destructor adults, with lower toxicity towards A. mellifera pupae. In terms of efficacy against V. destructor adults, Smaragd 2020 oil displayed the highest performance, with LC50 and LC90 values of 2.33 and 7.83 µL/L air, respectively. Meanwhile, Smaragd 2019 and Tettnanger EOs showed moderate toxicity, with LC50 values of 3.101 and 3.66 µL/L air, along with LC90 values of 11.67 and 19.89µL/L air, respectively. The oils from Biguglia and Ajaccio were strongly repellent to Varroa adults. At the lowest concentration (2 µL/mL), these EOs exhibited percentage of repellence greater than 70% after 2h exposure, with RC50 values of 1.66 and 1.26 µL/L air, respectively. Concerning their insecticidal effects, EOs demonstrate reduced toxicity towards bee pupae when compared to Varroa mites. Notably, Ajaccio stands out for inducing lower mortality among bee pupae, with a selectivity ratio below 2 and LC50 of 11.25 µL/L air. [ABSTRACT FROM AUTHOR]

The Algerian endemic plant Ammoides atlantica (Coss. et Durieu) H. Wolff was studied for the chemical profiling and biological activities of its essential oil (EO) and ethanolic extract (EE). The chemical analysis by GC/MS and HPLC/DAD/UV revealed, respectively, the major compounds thymol (39.46%), γ-terpinene (31.74%), and p-cymene (19.01%) in the EO, and apigenin (33.58%), luteolin 7-O-glucoside (20.09%), and luteolin (14.39%) in the EE. The EO exhibited strong antioxidant activity, with a significant ABTS•+ scavenging capacity (IC50 = 2.79 µg/mL) compared to EE, Trolox, and BHT. The EE showed comparable effects to BHT in DPPH scavenging and reducing power tests. Moreover, the EO demonstrated noteworthy antibacterial activity against S. aureus, E. coli, and P. aeruginosa, with inhibition zone diameters ranging from 32.1 to 70 mm and MICs below 0.3 to 5 mg/mL. Furthermore, the EE exhibited strong anti-inflammatory activity by inhibiting hemolysis of red blood cells >70% at a concentration of 20 µg/mL.

Abstract Nothofagus antarctica (G.Forst.) Oerst. (Ñire) leaves are a valuable source of (poly)phenolic compounds and represent a high-value non-timber product from Patagonian forests. However, information on the variability of their chemical profile is limited or non-existent. The aim of this study was to evaluate the (poly)phenolic variability in Ñire leaf infusions. To this end, different tree populations growing under different temperature regimes and soil characteristics were considered. Interestingly, a cup of Ñire leaf infusion could be considered as a rich source of quercetin. Significant differences in the (poly)phenolic content, especially in flavonoid conjugates and cinnamic acids, were found among the populations studied. These results suggest metabolic variability among the forests studied, which could be related to the species response to its growing conditions, and also provide some clues about the performance of N. antarctica under future climate scenarios. The N. antarctica forests growing in environments with lower frequency of cold and heat stress and high soil fertility showed better infusion quality. This study showed how a South American beech interacts with its local environment at the level of secondary metabolism. In addition, the information obtained is useful for defining forest management strategies in the Patagonian region.

Introduction: The identification of active dietary flavonoids in food is promising for novel drug discovery. The active ingredients of duckweed (a widely recognized food and herb with abundant flavonoids) that are associated with acute myeloid leukemia (AML) have yet to be identified, and their underlying mechanisms have not been elucidated. Objectives: The objective of this study was to identify novel constituents exhibiting antileukemia activity in duckweed through the integration of chemical profiling, network pharmacology, and experimental validation. Methods: First, high performance liquid chromatography‐tandem mass spectrometry (HPLC‐MS/MS) was used to characterize the primary constituents of duckweed. Subsequently, AML cell‐xenograft tumor models were used to validate the anticancer effect of duckweed extract. Furthermore, network pharmacology analysis was conducted to predict the potential active compounds and drug targets against AML. Lastly, based on these findings, two monomers (apiin and luteoloside) were selected for experimental validation. Results: A total of 17 compounds, all of which are apigenin and luteolin derivatives, were identified in duckweed. The duckweed extract significantly inhibited AML cell growth in vivo. Furthermore, a total of 88 targets for duckweed against AML were predicted, with key targets including PTGS2, MYC, MDM2, VEGFA, CTNNB1, CASP3, EGFR, TP53, HSP90AA1, CCND1, MMP9, TNF, and MAPK1. GO and KEGG pathway enrichment analyses indicated that these targets were primarily involved in the apoptotic signaling pathway. Lastly, both apiin and luteoloside effectively induced apoptosis through CASP3 activation, and this effect could be partially reversed by a caspase inhibitor (Z‐VAD). Conclusion: Duckweed extract has an antileukemic effect, and apiin derived from duckweed shows potential as a treatment for AML. A total of 17 compounds, all belonging to apigenin and luteolin derivatives, were identified in duckweed. The antileukemia effect of apiin in duckweed was identified for the first time. Apiin can induce apoptosis in acute myeloid leukemia cells. [ABSTRACT FROM AUTHOR]

This study investigates the biochemical composition and biological properties of different parts (leaves, roots, and twigs) of two Cistus species (Cistus monspeliasis and Cistus parviflorus). The extracts were analysed using UHPLC-MS/MS to determine their chemical profiling. A range of antioxidant assays were performed to evaluate the extract's antioxidant capabilities. The enzyme inhibition studies focused on acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α-amylase, and α-glucosidase and tyrosinase. In addition, the study examined the antimicrobial effects on different bacteria and yeasts and evaluated the toxicity using the MTT assay. Quinic acid, citric acid, gallic acid, catechin, quercetin derivatives, kaempferol, myricetin, ellagic acid, prodelphinidins, procyanidins, scopoletin, and flavogallonic acid dilactone are the main bioactive compounds found in both species. In enzyme inhibition assays, C. monspeliasis roots exhibited significant activity against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), with the values of 2.58 ± 0.02 mg GALAE/g and 11.37 ± 1.93 mg GALAE/g, respectively. Cytotoxicity studies showed mostly weak toxicity, with some samples moderately reducing viability in RAW and HepG2 cells. These findings underscore the diverse biochemical profiles and bioactive potential of Cistus species, suggesting their utility as natural sources of antioxidants and enzyme inhibitors for pharmaceutical and nutraceutical development. [ABSTRACT FROM AUTHOR]

Nothofagus antarctica (G.Forst.) Oerst. (Ñire) leaves are a valuable source of (poly)phenolic compounds and represent a high-value non-timber product from Patagonian forests. However, information on the variability of their chemical profile is limited or non-existent. The aim of this study was to evaluate the (poly)phenolic variability in Ñire leaf infusions. To this end, different tree populations growing under different temperature regimes and soil characteristics were considered. Interestingly, a cup of Ñire leaf infusion could be considered as a rich source of quercetin. Significant differences in the (poly)phenolic content, especially in flavonoid conjugates and cinnamic acids, were found among the populations studied. These results suggest metabolic variability among the forests studied, which could be related to the species response to its growing conditions, and also provide some clues about the performance of N. antarctica under future climate scenarios. The N. antarctica forests growing in environments with lower frequency of cold and heat stress and high soil fertility showed better infusion quality. This study showed how a South American beech interacts with its local environment at the level of secondary metabolism. In addition, the information obtained is useful for defining forest management strategies in the Patagonian region. [ABSTRACT FROM AUTHOR]

Hedyotis diffusa Willd., a herbal remedy for cancer, has a complex chemical profile that is difficult to analyze in detail. Here, we introduce an optimized sample preparation method coupled with two-dimensional gas chromatography-time-of-flight mass spectrometry (GC ​× ​GC-TOF/MS) to enhance the chemical profiling of H. diffusa. By employing dichloromethane extraction for nonpolar compounds, aqueous extraction, and solid-phase extraction fractionation into moderately polar and polar fractions, we extracted and analyzed a comprehensive range of chemicals from H. diffusa. GC ​× ​GC-TOF/MS analysis revealed a rich chemical landscape, identifying 185, 325, and 483 peaks in the dichloromethane extract, solid-phase extraction elution, and unretained fractions, respectively. Library matching against known compounds confirmed 155, 178, and 184 hits with a similarity of 80% or greater. Notably, this method also involves group-type elution of steroids and anthraquinones, facilitating the identification and screening of similar compounds. This comprehensive approach to herbal chemical analysis offers a high-dimensional perspective and greatly advances our understanding of the chemical constituents of H. diffusa.

This study presents a comprehensive investigation into the potential anticancer properties and chemical constituents of an unexplored plant (Grewia velutina) extracts. Three distinct extracts of hexane (GVH), chloroform (GVC) and methanol(GVM) of the plant were used to check their anticancer activity against four prominent cancer cell lines (HepG2, DU145, Hela, A549), and the results were compared with the standard chemotherapeutic agent doxorubicin. Anticancer assays revealed that the GVC extract exhibited highest activity than others, with IC50 values of 61.06 µg/mL, 47.87 µg/mL, 88.76 µg/mL, and 87.99 µg/mL against HepG2, DU145, Hela, and A549 cell lines, respectively and reflected a comparable activity to doxorubicin, highlighting its potential as an effective anticancer agent. With the help of chemical profiling data, molecular docking studies were performed and this study suggested that ionol, present in GVC extract is the most active compound against all the cancerous cells.

Abstract Background Resistance to antifungal medications poses a significant obstacle in combating fungal infections. The development of novel therapeutics for Candida albicans is necessary due to the increasing resistance of candidiasis to the existing medications. The utilization of biological control is seen as a more advantageous and less hazardous strategy therefore the objective of this study is to identify the antifungal properties of Bacillus subtilis against pathogenic C. albicans. Results We conducted a study to evaluate the antifungal properties of three bacterial isolates against the human pathogen Candida albicans. One of the bacterial isolates exhibited a potent antifungal activity against this fungal pathogen. This bacterium was identified as Bacillus subtilis based on the 16Sr RNA gene sequence. It exhibited inhibitory efficacy ranging from 33.5 to 44.4% against 15 Candida isolates. The optimal incubation duration for achieving the maximum antifungal activity was determined to be 48 h, resulting in a mean inhibition zone diameter of 29 ± 0.39 mm. The Potato Dextrose agar (PDA) medium was the best medium for the most effective antifungal activity. Incubation temperature of 25oC and medium pH value of 8.0 were the most favorable conditions for maximum antagonistic activity that resulted fungal growth inhibition of 40 ± 0.16 and 36 ± 0.94 mm respectively. Furthermore, the addition of 10.5 mg/ml of bacterial filtrate to C. albicans colonies resulted in 86.51%. decrease in the number of germinated cells. The fungal cell ultrastructural responses due to exposure to B. subtilis filtrate after 48 h were investigated using transmission electron microscopy (TEM). It revealed primary a drastic abnormality that lead to cellular disintegration including folding and lysis of the cell wall, total collapse of the yeast cells, and malformed germ tube following the exposure to the filtrate. However, the control culture treatment had a characteristic morphology of the normal fungal cells featuring a consistently dense central region, a well-organized nucleus, and a cytoplasm containing several components of the endomembrane system. The cells were surrounded by a uniform and intact cell wall. Conclusion The current study demonstrates a notable antifungal properties of B. subtilis against C. albicans as a result of production of bioactive components of the bacterial exudate. This finding could be a promising natural antifungal agent that could be utilized to combat C. albicans.

Abstract Background Onion waste was reported to be a valuable source of bioactive constituents with potential health-promoting benefits. This sparked a surge of interest among scientists for its valorization. This study aims to investigate the chemical profiles of peel and root extracts of four onion cultivars (red, copper-yellow, golden yellow and white onions) and evaluate their erectogenic and anti-inflammatory potentials. Methods UPLC-QqQ-MS/MS analysis and chemometric tools were utilized to determine the chemical profiles of onion peel and root extracts. The erectogenic potential of the extracts was evaluated using the PDE-5 inhibitory assay, while their anti-inflammatory activity was determined by identifying their downregulating effect on the gene expression of IL-6, IL-1β, IFN-γ, and TNF-α in LPS-stimulated WBCs. Results A total of 103 metabolites of diverse chemical classes were identified, with the most abundant being flavonoids. The organ’s influence on the chemical profiles of the samples outweighed the influence of the cultivar, as evidenced by the close clustering of samples from the same organ compared to the distinct separation of root and peel samples from the same cultivar. Furthermore, the tested extracts demonstrated promising PDE-5 and anti-inflammatory potentials and effectively suppressed the upregulation of pro-inflammatory markers in LPS-stimulated WBCs. The anti-inflammatory activities exerted by peel samples surpassed those of root samples, highlighting the importance of selecting the appropriate organ to maximize activity. The main metabolites correlated with PDE-5 inhibition were cyanidin 3-O-(malonyl-acetyl)-glucoside and quercetin dimer hexoside, while those correlated with IL-1β inhibition were γ-glutamyl-methionine sulfoxide, γ-glutamyl glutamine, sativanone, and stearic acid. Taxifolin, 3’-hydroxymelanettin, and oleic acid were highly correlated with IL-6 downregulation, while quercetin 4’-O-glucoside, isorhamnetin 4’-O-glucoside, and p-coumaroyl glycolic acid showed the highest correlation to IFN-γ and TNF-α inhibition. Conclusion This study provides a fresh perspective on onion waste as a valuable source of bioactive constituents that could serve as the cornerstone for developing new, effective anti-PDE-5 and anti-inflammatory drug candidates.

The endophytic fungal biodiversity of unique plants like Peperomia argyreia (Miq.) É. Morren (Piperaceae) has antimicrobial properties and can be employed for infection treatment. Fungal isolates were obtained from appropriately treated plant tissues cultured in solid media, characterized by morphology, and identified by molecular biology using ITS and NL primers. The antimicrobial properties of fungal extracts were analyzed by combining microdilution and bioautographic assays complemented with metabolic profiling by automated thin-layer chromatography and 1H NMR techniques. Thirty-one filamentous fungi were isolated and characterized by ITS and/or D1/D2 region amplification of rDNA, identified as Thermothielavioides, Trichoderma, Cyphellophora, Cladosporium, Arcopilus, Plectosphaerella; Chaetomium, Sporothrix, Alboefibula, and Penicillium. Thermothielavioides spp. inhibited Staphylococcus aureus ATCC 25923; moreover, Penicillium westlingii P4 showed inhibitory activity on Ascochyta rabiei AR2. The bioactivity-guided fractionation of the EtOAc extract (MIC = 62.5 μg/mL) of P. westlingii P4 allowed the purification of citrinin as the main inhibitory compound (MIC = 62.5 μg/mL). Peperomia argyreia harbors a rich and diverse endophytic community able to produce bioactive molecules. Citrinin, with a minor influence of volatile compounds biosynthesized by P. westlingii P4, was responsible for the inhibition of A. rabiei AR2.

Background: Resistance to antifungal medications poses a significant obstacle in combating fungal infections. The development of novel therapeutics for Candida albicans is necessary due to the increasing resistance of candidiasis to the existing medications. The utilization of biological control is seen as a more advantageous and less hazardous strategy therefore the objective of this study is to identify the antifungal properties of Bacillus subtilis against pathogenic C. albicans. Results: We conducted a study to evaluate the antifungal properties of three bacterial isolates against the human pathogen Candida albicans. One of the bacterial isolates exhibited a potent antifungal activity against this fungal pathogen. This bacterium was identified as Bacillus subtilis based on the 16Sr RNA gene sequence. It exhibited inhibitory efficacy ranging from 33.5 to 44.4% against 15 Candida isolates. The optimal incubation duration for achieving the maximum antifungal activity was determined to be 48 h, resulting in a mean inhibition zone diameter of 29 ± 0.39 mm. The Potato Dextrose agar (PDA) medium was the best medium for the most effective antifungal activity. Incubation temperature of 25oC and medium pH value of 8.0 were the most favorable conditions for maximum antagonistic activity that resulted fungal growth inhibition of 40 ± 0.16 and 36 ± 0.94 mm respectively. Furthermore, the addition of 10.5 mg/ml of bacterial filtrate to C. albicans colonies resulted in 86.51%. decrease in the number of germinated cells. The fungal cell ultrastructural responses due to exposure to B. subtilis filtrate after 48 h were investigated using transmission electron microscopy (TEM). It revealed primary a drastic abnormality that lead to cellular disintegration including folding and lysis of the cell wall, total collapse of the yeast cells, and malformed germ tube following the exposure to the filtrate. However, the control culture treatment had a characteristic morphology of the normal fungal cells featuring a consistently dense central region, a well-organized nucleus, and a cytoplasm containing several components of the endomembrane system. The cells were surrounded by a uniform and intact cell wall. Conclusion: The current study demonstrates a notable antifungal properties of B. subtilis against C. albicans as a result of production of bioactive components of the bacterial exudate. This finding could be a promising natural antifungal agent that could be utilized to combat C. albicans. [ABSTRACT FROM AUTHOR]

Background: Onion waste was reported to be a valuable source of bioactive constituents with potential health-promoting benefits. This sparked a surge of interest among scientists for its valorization. This study aims to investigate the chemical profiles of peel and root extracts of four onion cultivars (red, copper-yellow, golden yellow and white onions) and evaluate their erectogenic and anti-inflammatory potentials. Methods: UPLC-QqQ-MS/MS analysis and chemometric tools were utilized to determine the chemical profiles of onion peel and root extracts. The erectogenic potential of the extracts was evaluated using the PDE-5 inhibitory assay, while their anti-inflammatory activity was determined by identifying their downregulating effect on the gene expression of IL-6, IL-1β, IFN-γ, and TNF-α in LPS-stimulated WBCs. Results: A total of 103 metabolites of diverse chemical classes were identified, with the most abundant being flavonoids. The organ's influence on the chemical profiles of the samples outweighed the influence of the cultivar, as evidenced by the close clustering of samples from the same organ compared to the distinct separation of root and peel samples from the same cultivar. Furthermore, the tested extracts demonstrated promising PDE-5 and anti-inflammatory potentials and effectively suppressed the upregulation of pro-inflammatory markers in LPS-stimulated WBCs. The anti-inflammatory activities exerted by peel samples surpassed those of root samples, highlighting the importance of selecting the appropriate organ to maximize activity. The main metabolites correlated with PDE-5 inhibition were cyanidin 3-O-(malonyl-acetyl)-glucoside and quercetin dimer hexoside, while those correlated with IL-1β inhibition were γ-glutamyl-methionine sulfoxide, γ-glutamyl glutamine, sativanone, and stearic acid. Taxifolin, 3'-hydroxymelanettin, and oleic acid were highly correlated with IL-6 downregulation, while quercetin 4'-O-glucoside, isorhamnetin 4'-O-glucoside, and p-coumaroyl glycolic acid showed the highest correlation to IFN-γ and TNF-α inhibition. Conclusion: This study provides a fresh perspective on onion waste as a valuable source of bioactive constituents that could serve as the cornerstone for developing new, effective anti-PDE-5 and anti-inflammatory drug candidates. [ABSTRACT FROM AUTHOR]

The illegal drug market is constantly evolving, with new drugs being created and existing ones being modified. Adulterants are often added to the mix, and the primary substance may be secretly replaced by a new one. Once‐known tablets can now be vastly different from what they are sold as, all due to the pursuit of profit and evasion of current drug regulations. These alterations in drug composition pose a threat to society, as their effects are still not well understood. Therefore, it is crucial for police intelligence and public health development to obtain the chemical profiles of illicit drugs. This study presents the chemical fingerprinting of ecstasy tablets seized in the state of Rio de Janeiro (Brazil) between 2012 and 2021. The tablet samples were weighed, extracted, diluted with methanol, and acidified before analysis using gas chromatography high‐resolution mass spectrometry and attenuated total reflection Fourier transform infrared spectroscopy. The major constituents found were MDMA and clobenzorex, with fewer occurrences of MDA, MDEA, and 2C‐B. The results also indicate that the occurrence of mega‐events in the study location impacted the chemical fingerprints of ecstasy. A total of 27 combinations of cutting agents, including caffeine, ephedrine, and anesthetics, were identified. Samples composed of clobenzorex were observed throughout the evaluated period in areas near highways, suggesting that this product is mainly used by truck drivers. These findings can help police intelligence units anticipate the behavior of the illicit market during major events, identify traffic routes, and support public health initiatives. [ABSTRACT FROM AUTHOR]

The endophytic fungal biodiversity of unique plants like Peperomia argyreia (Miq.) É. Morren (Piperaceae) has antimicrobial properties and can be employed for infection treatment. Fungal isolates were obtained from appropriately treated plant tissues cultured in solid media, characterized by morphology, and identified by molecular biology using ITS and NL primers. The antimicrobial properties of fungal extracts were analyzed by combining microdilution and bioautographic assays complemented with metabolic profiling by automated thin-layer chromatography and 1H NMR techniques. Thirty-one filamentous fungi were isolated and characterized by ITS and/or D1/D2 region amplification of rDNA, identified as Thermothielavioides, Trichoderma, Cyphellophora, Cladosporium, Arcopilus, Plectosphaerella; Chaetomium, Sporothrix, Alboefibula, and Penicillium. Thermothielavioides spp. inhibited Staphylococcus aureus ATCC 25923; moreover, Penicillium westlingii P4 showed inhibitory activity on Ascochyta rabiei AR2. The bioactivity-guided fractionation of the EtOAc extract (MIC = 62.5 μg/mL) of P. westlingii P4 allowed the purification of citrinin as the main inhibitory compound (MIC = 62.5 μg/mL). Peperomia argyreia harbors a rich and diverse endophytic community able to produce bioactive molecules. Citrinin, with a minor influence of volatile compounds biosynthesized by P. westlingii P4, was responsible for the inhibition of A. rabiei AR2. [ABSTRACT FROM AUTHOR]

The interest in characterization of drugs abused started in 1948 with the aim of determining the origin of opium. After 75 years there is still a great interest in this approach, called geo-profiling, chemical or forensic profiling in the following decades. Recently chemical attribution signatures (CAS) were proposed by the authors who studied “synthesis precursors and byproducts, impurities, degradation products, and metabolites in various biological matrices” of fentanyl. Forensic profiling evolved during these decades: new analytical approaches were tested and it was applied to more and more products, which threaten the health and security of citizens worldwide.In substances of natural origins (e.g. opium, cannabis and cocaine), it is possible to exploit the great variability of both elements and organic chemical compounds and to study chemical compounds such as reagents and solvents, by-products, and cutting agents used in the production chain. Profiles can be used to classify products from different seizures into groups of similar samples (tactical intelligence) or to determine the origin of samples (strategic intelligence).Chromatographic approaches coupled to mass spectrometry are very common to determine organic profiles, while elemental profiles are obtained by nuclear activation analysis, inductively coupled plasma mass spectrometry or ion beam analysis. A very important role in the field is played by isotope ratio analysis. Approaches to obtain forensic profiles are available also for chemical warfare agents, explosives, illegal medicines, doping agents, supplements, food. Chemometrics can be particularly useful to establish the authenticity of products and for the interpretation of large amount of forensic data. The future of forensic profiling is a challenge for forensic sciences. Organized crime is involved in the manufacturing of a large number of illegal products and forensic profiling is a very powerful tool to support the health of citizens and the administration of justice worldwide.

Ginseng, the roots of Panax species, is an important medicinal herb used as a tonic. As ginsenosides are key bioactive components of ginseng, holistic chemical profiling of them has provided many insights into understanding ginseng. Mass spectrometry has been a major methodology for profiling, which has been applied to realize numerous goals in ginseng research, such as the discrimination of different species, geographical origins, and ages, and the monitoring of processing and biotransformation. This review summarizes the various applications of ginsenoside profiling in ginseng research over the last three decades that have contributed to expanding our understanding of ginseng. However, we also note that most of the studies overlooked a crucial factor that influences the levels of ginsenosides: genetic variation. To highlight the effects of genetic variation on the chemical contents, we present our results of untargeted and targeted ginsenoside profiling of different genotypes cultivated under identical conditions, in addition to data regarding genome-level genetic diversity. Additionally, we analyze the other limitations of previous studies, such as imperfect variable control, deficient metadata, and lack of additional effort to validate causation. We conclude that the values of ginsenoside profiling studies can be enhanced by overcoming such limitations, as well as by integrating with other -omics techniques.

Green propolis, particularly from the unique flora of the Brazilian Caatinga biome, has gained significant interest due to its diverse chemical composition and biological activities. This study focuses on the chemical characterization and antimicrobial evaluation of Caatinga green propolis. Twelve compounds were isolated through different chromatographic techniques, including flavanones (naringenin, 7-O-methyleriodictyol, sakuranetin), flavones (hispidulin, cirsimaritin), flavonols (quercetin, quercetin-3-methyl ether, kaempferol, 6-methoxykaempferol, viscosine, penduletin), and one chalcone (kukulkanin B). Using liquid chromatography–quadrupole time-of-flight tandem mass spectrometry (LC-QToF-MS), a total of 55 compounds excluding reference standards were tentatively identified, which include flavonoids, phenolic acids derivatives, and alkaloids, with flavonols, flavanones, and flavones being predominant. Antimicrobial testing against pathogens revealed that the crude extract exhibited low inhibitory activity, against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant Enterococcus faecium (VRE) (IC50: 148.4 and 120.98 µg/mL, respectively). Although the isolated compounds showed limited individual activity, a fraction containing sakuranetin and penduletin (Fraction 8) exhibited moderated activity against Cryptococcus neoformans (IC50: 47.86 µg/mL), while a fraction containing quercetin and hispidulin showed moderated activity against VRE (IC50: 16.99 µg/mL). These findings highlight the potential application of Caatinga green propolis as an antimicrobial agent, particularly against resistant bacterial strains, and underscore the importance of synergistic interactions between compounds in enhancing biological effects.

Erigeron bonariensis is widely distributed throughout the world's tropics and subtropics. In folk medicine, E. bonariensis has historically been used to treat head and brain diseases. Alzheimer's disease (AD) is the most widespread form of dementia initiated via disturbances in brain function. Herein, the neuroprotective effect of the chemically characterized E. bonariensis ethanolic extract is reported for the first time in an AD animal model. Chemical profiling was conducted using UPLC–ESI-MS analysis. Female rats underwent ovariectomy (OVX) followed by 42 days of D-galactose (D-Gal) administration (150 mg/kg/day, i.p) to induce AD. The OVX/D-Gal-subjected rats received either donepezil (5 mg/kg/day) or E. bonariensis at 50, 100, and 200 mg/kg/day, given 1 h prior to D-Gal. UPLC–ESI-MS analysis identified 42 chemicals, including flavonoids, phenolic acids, terpenes, and nitrogenous constituents. Several metabolites, such as isoschaftoside, casticin, velutin, pantothenic acid, xanthurenic acid, C18-sphingosine, linoleamide, and erucamide, were reported herein for the first time in Erigeron genus. Treatment with E. bonariensis extract mitigated the cognitive decline in the Morris Water Maze test and the histopathological alterations in cortical and hippocampal tissues of OVX/D-Gal-subjected rats. Moreover, E. bonariensis extract mitigated OVX/D-Gal-induced Aβ aggregation, Tau hyperphosphorylation, AChE activity, neuroinflammation (NF-κBp65, TNF-α, IL-1β), and apoptosis (Cytc, BAX). Additionally, E. bonariensis extract ameliorated AD by increasing α7-nAChRs expression, down-regulating GSK-3β and FOXO3a expression, and modulating Jak2/STAT3/NF-ĸB p65 and PI3K/AKT signaling cascades. These findings demonstrate the neuroprotective and memory-enhancing effects of E. bonariensis extract in the OVX/D-Gal rat model, highlighting its potential as a promising candidate for AD management. [ABSTRACT FROM AUTHOR]

Ayurveda and Chinese traditional medicine, among other conventional healthcare systems, additionally employ the significant therapeutic herb Cassia fistula. It constitutes a small in size, evergreen tree that has been referred to as "yellow shower" because to its extended, rod-like fruit containing pulp as well as bright yellow flowers. The current research was conceded out to examine the phytochemical and antimicrobial potential of leaf portion of Cassia fistula against foot ulcer activity. The leaves were collected, dried and crushed. Polarity based solvent extraction were carried out and intended for phyochemical investigation. Further the antimicrobial potential of extracts against selected bacterial species, MIC and MBC were carried out. Though other extract showed the present of phytochemicals, ethyl acetate and ethanol has major phytochemicals. Further, ethanol extract showed effective inhibition of bacterial cultures over the other extract with minimum inhibitory concentrations (MIC) ranges of 0.15 - 5 mg/ml. HPLC profile showed two major peaks authenticated that flavonoids as well as alkaloids remain the foremost class of chemicals. Hence it has antibacterial activity over the microorganism, the plant may have diabetic wound healing activity. However, more research into digestibility, liver toxicity testing, and invivo models is required before standardising the use of these antimicrobial drugs as an effective treatment. [ABSTRACT FROM AUTHOR]

Several studies have highlighted the beneficial effects of consuming red raspberries on human health thanks to their high content of phytochemicals. However, the products used in these studies, both in the raw or freeze-dried form, were not fully characterized for nutrient and phytochemical composition. In this study, we aimed to determine the nutrient and non-nutrient compounds present in a freeze-dried red raspberry powder widely used by the food industry and consumers. The main sugars identified were fructose (12%), glucose (11%), and sucrose (11%). Twelve fatty acids were detected, with linoleic acid (46%), α-linolenic acid (20%), and oleic acid (15%) being the most abundant. Regarding micronutrients, vitamin C was the main hydro-soluble vitamin, while minerals, potassium, phosphorous, copper and magnesium were the most abundant, with concentrations ranging from 9 up to 96 mg/100 g, followed by manganese, iron and zinc, detected in the range 0.1–0.9 mg/100 g. Phytochemical analysis using UHPLC-DAD-HR-MS detection revealed the presence of Sanguiin H6 (0.4%), Lambertianin C (0.05%), and Sanguiin H-10 isomers (0.9%) as the main compounds. Among anthocyanins, the most representative compounds were cyanidin-3-sophoroside, cyanidin-3-glucoside and cyanidin-3-sambubioside. Our findings can serve as a reliable resource for the food industry, nutraceutical applications and for future investigations in the context of human health. [ABSTRACT FROM AUTHOR]

Smokeless powders (SLPs) are composed of a combination of thermolabile and non-thermolabile compounds. When analysed by GC-MS, injection conditions may therefore play a fundamental role on the characterisation of forensic samples. However, no systematic investigations have ever been carried out. This casts doubt on the optimal conditions that should be adopted in advanced profiling applications (e.g. class attribution and source association), especially when a traditional split/splitless (S/SL) injector is used. Herein, a study is reported that specifically focused on the evaluation of the liner type (Ltype) and inlet temperature (Tinj). Results showed that both could affect the exhaustiveness and repeatability of the observed chemical profiles, with Ltype being particularly sensitive despite typically not being clarified in published works. Perhaps as expected, degradation effects were observed for the most thermolabile compounds (e.g. nitroglycerin) at conditions maximising the heat transfer rates (Ltype = packed and Tinj ≥ 200 °C). However, these did not seem to be as influential as, perhaps, suggested in previous studies. Indeed, the harshest injection conditions in terms of heat transfer rate (Ltype = packed and Tinj = 260 °C) were found to lead to better performances (including better overall %RSDs and LODs) compared to the mildest ones. This suggested that implementing conditions minimising heat-induced breakdowns during injection was not necessarily a good strategy for comparison purposes. The reported findings represent a concrete step forward in the field, providing a robust body of data for the development of the next generation of SLP profiling methods. [ABSTRACT FROM AUTHOR]

Introduction: Natural deep eutectic solvents (NADES) have emerged as interesting extractants to develop botanical ingredients. They are nontoxic and biodegradable, nonflammable, easy to prepare, and able to solubilize a wide range of molecules. However, NADES extracts remain difficult to analyze because the metabolites of interest stay highly diluted in the nonvolatile viscous NADES matrix. Objective: This study presents a robust analytical workflow for the chemical profiling of NADES extracts. It is applied to Hypericum perforatum aerial parts extracted with the neutral mixture fructose/glycerol/water (3/1/1, w/w/w), and compared to the chemical profiling of a classical dry methanol extract. Methods: Exploiting polarity differences between metabolites, the H. perforatum NADES extract was partitioned in a liquid–liquid solvent system to trap the hydrophilic NADES constituents in the lower phase. The upper phase, containing a diversity of secondary metabolites from H. perforatum, was fractionated by centrifugal partition chromatography. All fractions were chemically investigated using a 13C NMR dereplication method which involves hierarchical clustering analysis of the whole NMR dataset, a natural metabolite database for metabolite identification, and 2D NMR analyses for validation. Liquid chromatography–mass spectrometry (LC‐MS) analyses were also performed to complete the identification process. Results: A range of 21 metabolites were unambiguously identified, including glycosylated flavonols, lactones, catechins, phenolic acids, lipids, and simple sugars, and 15 additional minor extract constituents were annotated by LC‐MS based on exact mass measurements. Conclusion: The proposed identification process is rapid and nondestructive and provides good prospects to deeply characterize botanical extracts obtained in nonvolatile and viscous NADES systems. Botanical ingredients developed in NADES remain difficult to analyze because the metabolites of interest are diluted in the nonvolatile viscous NADES matrix. A robust analytical workflow was developed on Hypericum perforatum aerial parts extracted with the neutral mixture fructose/glycerol/water (3/1/1, w/w/w). The extract was partitioned in a biphasic system to trap hydrophilic NADES constituents in the lower phase. The upper phase was chemically profiled by NMR dereplication. 21 metabolites were unambiguously identified and 15 minor compounds were annotated by LC‐MS. [ABSTRACT FROM AUTHOR]

Featured Application: In this study, we introduce an approach for quickly profiling the nutritional content of fruit juices by using a portable Fourier transform mid-infrared (FT-IR) device. This method enables real-time prediction and simultaneous analysis of key components, such as sugars and acids in fruit juices, addressing concerns about obesity and other health risks. The portability of the FT-IR sensor makes it a valuable tool for food processors, providing a convenient out-of-the-laboratory solution. This application detects deviations in sugar and ascorbic acid levels compared to nutritional labels, helping consumers to make healthier decisions. Furthermore, applying portable FT-IR devices by the fruit juice industry will streamline quality control processes and represents a shift towards more efficient, non-destructive, and high-throughput analytical methods. Fruit juices (FJ) have gained widespread global consumption, driven by their perceived health benefits. The accuracy of nutrition information is essential for consumers assessing FJ quality, especially with increasing concerns about added sugars and obesity risk. Conversely, ascorbic acid (Vitamin C), found in nature in many fruits and vegetables, is often lost due to its susceptibility to light, air, and heat, and it undergoes fortification during FJ production. Current analytical methods for determining FJ components are time-consuming and labor-intensive, prompting the need for rapid analytical tools. This study employed a field-deployable portable FT-IR device, requiring no sample preparation, to simultaneously predict multiple quality traits in 68 FJ samples from US markets. Using partial least square regression (PLSR) models, a strong correlation (RCV ≥ 0.93) between FT-IR predictions and reference values was obtained, with a low standard error of prediction. Remarkably, 21% and 37% of FJs deviated from nutrition label values for sugars and ascorbic acid, respectively. Portable FT-IR devices offer non-destructive, simultaneous, simple, and high-throughput approaches for chemical profiling and real-time prediction of sugars and acid levels in FJs. Their handiness and ruggedness can provide food processors with a valuable "out-of-the-laboratory" analytical tool. [ABSTRACT FROM AUTHOR]

Hibiscus sabdariffa has gained increasing attention from consumers as a natural, healthy food ingredient, leading to a myriad of available products, yet there is a lack of understanding of the quality and chemical diversity among commercially available hibiscus products. Here, we conducted a survey on the chemistry of 29 hibiscus products (calyces, beverages, and extracts). UHPLC‐DAD and UHPLC‐QQQ/MS methods with high sensitivity and selectivity were developed to evaluate the chemical profiles pertaining to the sensory attributes (color and taste). Two major anthocyanins (delphinidin‐3‐sambubioside and cyanindin‐3‐sambubioside), eight organic acids, and 23 phenolic acids were identified and quantified in hibiscus market products. The results showed that hibiscus samples contained < 0.001–2.372% of total anthocyanins, 0.073–78.002% of total organic acids, and 0.001–1.041% of total phenolic acids, and demonstrated significant variations in market products. This is the first time that an in‐depth organic acid profiling was conducted on hibiscus products using UHPLC‐QQQ/MS. This method can also be extended to chemical profiling, sensory analysis, quality control, authentication, and standardization of other natural products. [ABSTRACT FROM AUTHOR]

Considering the limited data available on tree species in Uzbekistan, this research aimed to provide new insights. We gathered plant samples from different locations within Samarkand city and thoughtfully selected 15 tree species that represent the country's flora. Using scanning electron microscopy, we conducted comprehensive analyses of pollen morphology, revealing a diverse range of variations in the shapes, dimensions, and surface characteristics displayed by pollen grains. Distinct ornamentations such as micro‐echinate, reticulate, rugulate, gemmate–verrucate, and verrucate–scabrate patterns facilitated the differentiation of species. These scanning electron microscopy findings enhance our comprehension of tree species diversity, adaptation, and ecological roles. In addition, leaf extracts were analyzed using HPLC and GC–MS, revealing a plethora of bioactive compounds, including catechins, chlorogenic acid, vanillic acid, and others. Furthermore, GC–MS analysis revealed the presence of seven key compounds, including 1‐hexadecyne, 2‐chloroethanol, 1,6‐heptadiene, 2‐methyl‐, 5‐bromoadamantan‐2‐one, ethyl 3‐(3‐pyridyl) propenoate, bis (2‐ethylhexyl) phthalate, and quercetin. This study demonstrates the effectiveness of this method in assessing the quality of leaf extracts from tree species by examining both microscopic characteristics and chemical composition. This multifaceted approach has deepened our understanding of the characteristics and chemical compositions of these trees, thus contributing to a more profound appreciation of their ecological significance and potential applications. [ABSTRACT FROM AUTHOR]

AbstractEmergent records propose that Aspergillus niger endophytic fungus is a vital source for various bioactive molecules possessing many biological properties. The current study was designed to inspect the antibacterial and anti-Toxoplasma potentials of Ficus retusa-derived endophytic fungi. After isolation and identification (using 18S rRNA gene sequencing) of A. niger endophytic fungus, LC/MS was utilized for identification and authentication of the chemical profile of the A. niger endophyte extract. Then, the fungal extract was assessed for its antibacterial and antibiofilm activities against Klebsiella pneumoniae clinical isolates. Additionally, its efficacy against Toxoplasma gondii was elucidated in vivo. The fungal extract displayed antibacterial activity against K. pneumoniae isolates with minimum inhibitory concentration values of 64–512 µg/mL. It also possessed a membrane potential dissipating effect using flow cytometry. Moreover, it formed distorted cells with rough surfaces and deformed shapes using a scanning electron microscope (SEM). Regarding its antibiofilm activity, it resulted in a dysregulation of the genes encoding biofilm formation (fimH, mrkA and mrkD) using qRT-PCR in nine K. pneumoniae isolates. The in vivo anti-Toxoplasma potential was demonstrated by decreasing the mortality rate of mice and reducing the tachyzoites’ count in the peritoneal fluids and liver impression smears of mice. In addition, the deformities of the parasite decreased, as revealed by SEM and the inflammation in tissues diminished. Thus, A. niger endophytic fungi could be a valuable source of antibacterial and anti-Toxoplasma compounds.

This study investigates the biochemical composition and biological properties of different parts (leaves, roots, and twigs) of two Cistus species (Cistus monspeliasis and Cistus parviflorus). The extracts were analysed using UHPLC-MS/MS to determine their chemical profiling. A range of antioxidant assays were performed to evaluate the extract’s antioxidant capabilities. The enzyme inhibition studies focused on acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α-amylase, and α-glucosidase and tyrosinase. In addition, the study examined the antimicrobial effects on different bacteria and yeasts and evaluated the toxicity using the MTT assay. Quinic acid, citric acid, gallic acid, catechin, quercetin derivatives, kaempferol, myricetin, ellagic acid, prodelphinidins, procyanidins, scopoletin, and flavogallonic acid dilactone are the main bioactive compounds found in both species. In enzyme inhibition assays, C. monspeliasis roots exhibited significant activity against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), with the values of 2.58 ± 0.02 mg GALAE/g and 11.37 ± 1.93 mg GALAE/g, respectively. Cytotoxicity studies showed mostly weak toxicity, with some samples moderately reducing viability in RAW and HepG2 cells. These findings underscore the diverse biochemical profiles and bioactive potential of Cistus species, suggesting their utility as natural sources of antioxidants and enzyme inhibitors for pharmaceutical and nutraceutical development.

Abstract The constituents and antioxidant activities of Cyperus exaltatus var. iwasakii (CE) have not been studied to date. In this study, the 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzothiazoline-6 sulfonic acid) (ABTS) assays were used to evaluate the radical-scavenging activities of the ethanol extract, four fractions, and isolated compounds of CE. In addition, phenolic acids and flavonoids were isolated from the ethanol extract of CE using column chromatography. The compounds identified by spectroscopy were gallic acid, protocatechuic acid, vanillic acid, p-coumaric acid, rutin, ferulic acid, isoquercitrin, astragalin, quercetin, luteolin, apigenin, tricin, and kaempferol. Quantitative analysis using high-performance liquid chromatography (HPLC) revealed that the major flavonoids of CE were astragalin and tricin and that the major phenolic acid was p-coumaric acid. In addition, comparative analysis of CE from Ganghwa and Hampyeong habitats using HPLC showed that the Hampyeong CE had a higher phytochemical content. Comparative analyses of the isolated compounds were also conducted among five Cyperus species. The highest antioxidant activities were found in the ethyl acetate (EtOAc) fraction, and among the compounds isolated from CE, vanillic acid and quercetin showed remarkable antioxidant activity even when compared with ascorbic acid. The results demonstrate the usefulness of CE, which has not been sufficiently studied previously, and will facilitate the evaluation of its potential effectiveness as antioxidant functional plant material.

Honey is a natural food often used as an auxiliary material in Traditional Chinese Medicine (TCM). Cortex Mori (CM) is a commonly used Chinese medicinal material that requires honey preparation before use. Our research discovered that various factors including honey temperature, color intensity, moisture content, viscosity, TPC, 5-HMF content, and FRAP all increased over time during the honey refining process. To systematically study the excipients that play a unique role in TCM processing, this study focuses on honey as the representative and CM as the model drug. The overall components of honey-processed CM, stir-fried CM, and raw CM were determined using the fingerprint method, resulting in 36 chromatographic peaks with significant differences. The principal component analysis (PCA) results showed significant differences among honey-fried, stir-fried, and raw CM. Orthogonal partial least squares-discriminant analysis (OPLS-DA) and artificial neural network (ANN) were used to screen the important differential components. Network pharmacology and molecular docking technology were used to correlate the efficacy of the marker components. Oxyresveratrol, kuwanon G, and morusin were identified as potential markers. This study proved that the addition of honey as an excipient can affect the chemical composition of the drug itself, thereby impacting its efficacy.

This article presents two types of phytochemical data obtained from Brucea javanica (L.) Merr. roots, a medicinal plant belonging to the Simaroubaceae family. The high-resolution LC–MS dataset comprised the chemical profile of dichloromethane extract, which was utilised to annotate 35 chemical constituents. For annotations, the measured spectral data were compared with the in-silico spectral data generated from 920 molecular structures previously reported in Simaroubaceae. Indole alkaloids, quassinoids, aliphatics and lignan were the chemical groups identified in the root extract. The second dataset provides NMR spectra (1H, 13C, COSY, HMQC and HMBC) for the six indole alkaloids previously detected in LC–MS analysis and isolated through centrifugal partition chromatography. The chemical structures of all compounds were confirmed based on NMR data as bruceolline J (compound 7), canthin-6-one-N-oxide (compound 10), bruceolline E (compound 15), 5-methoxycanthin-6-one (compound 16), canthin-6-one (compound 20), and 1‑hydroxy-11-methoxycanthin-6-one (compound 22). This phytochemical data was generated to support an ongoing anti-cancer and anti-dengue study.

Eight Ribes magellanicum collections from three different places in southern Patagonia were compared for content of different groups of phenolics, antioxidant capacity and inhibition of enzymes related to metabolic syndrome (α-amylase, α-glucosidase and pancreatic lipase). The sample with the highest antioxidant capacity was assessed for glutathione (GSH) synthesis stimulation in human gastric adenocarcinoma (AGS) cells. The chemical profile was determined by high performance liquid chromatography with tandem mass spectrometry detection (HPLC-MS/MS) and the main phenolics were quantified. The samples from Navarino Island and Reserva Nacional Magallanes showed higher content of anthocyanins and caffeoylquinic acid, with better activity towards α-glucosidase and antioxidant capacity. A sample from Omora (Navarino Island), significantly increased intracellular GSH content in AGS cells. Some 70 compounds were identified in the fruit extracts by HPLC-MS/MS. The glucoside and rutinoside from delphinidin and cyanidin and 3-caffeoylquinic acid were the main compounds. Different chemical profiles were found according to the collection places.

A total of 65 phenolic acid compounds were annotated or identified by UHPLC-MS/MS method, among them, 17 p-HAP (p-hydroxyacetophenone) glycosides were firstly targeted profiled based on molecular networking. Their characteristic product ions of MS/MS spectra were found and examined on the guideline of targeted isolation. As a result, a new p-HAP glycoside was thus obtained and determined as 2′-O-caffeoyl-p-HAP-4-O-β-D-glucopyranoside (33) based on 1D and 2D NMR data. Besides, multicomponents quantitative analysis indicated the distinct regional variability in chemicals distribution of A. japonica, and meanwhile, the contents of p-HAP glycosides from A. japonica were higher than those in A. capillaris as a whole, which further suggested the potential medicinal value of A. japonica. [ABSTRACT FROM AUTHOR]

Hemp (Cannabis sativa L.) is a plant widely used by humans for textiles, food, and medicine. Thus, this study aimed to characterize the chemical profiling of 12 hemp seed extracts from Thai (HS-TH) and foreign (HS-FS) samples using gas chromatography-mass spectrometry (GC–MS). Their antibacterial activity and α-glucosidase inhibitory activity were assayed. Linoleic acid (17.63–86.53%) was a major component presented in Thai hemp seed extracts, while α,β-gluco-octonic acid lactone (30.39%), clionasterol (13.42–29.07%), and glyceryl-linoleate (15.12%) were detected as the main metabolites found in foreign hemp seed extracts. Furthermore, eight extracts from both Thai and foreign hemp seed exhibited antibacterial activity against Staphylococcus aureus, Staphylococcus epidermidis, Methicillin-resistant Staphylococcus aureus, and Cutibacterium acnes, with MIC values ranging from 128 to 2048 µg/mL. Interestingly, the ethanol extract of Thai hemp seed (HS-TH-2-M-E) showed superior α-glucosidase inhibition (IC50 value of 33.27 ug/mL) over foreign species. The combination between Thai hemp species (HS-TH-2-M-E) and acarbose showed a synergistic effect against α-glucosidase. Furthermore, the docking investigation revealed that fatty acids had a greater impact on α-glucosidase than fatty acid esters and cannabinoids. The computational simulation predicts a potential allosteric binding pocket of guanosine on glucosidase and is the first description of gluco-octonic acid's anti-glucosidase activity in silico. The findings concluded that Thai hemp seed could be used as a resource for supplemental drugs or dietary therapy for diabetes mellitus. [ABSTRACT FROM AUTHOR]

Emergent records propose that Aspergillus niger endophytic fungus is a vital source for various bioactive molecules possessing many biological properties. The current study was designed to inspect the antibacterial and anti-Toxoplasma potentials of Ficus retusa-derived endophytic fungi. After isolation and identification (using 18S rRNA gene sequencing) of A. niger endophytic fungus, LC/MS was utilized for identification and authentication of the chemical profile of the A. niger endophyte extract. Then, the fungal extract was assessed for its antibacterial and antibiofilm activities against Klebsiella pneumoniae clinical isolates. Additionally, its efficacy against Toxoplasma gondii was elucidated in vivo. The fungal extract displayed antibacterial activity against K. pneumoniae isolates with minimum inhibitory concentration values of 64-512 μg/mL. It also possessed a membrane potential dissipating effect using flow cytometry. Moreover, it formed distorted cells with rough surfaces and deformed shapes using a scanning electron microscope (SEM). Regarding its antibiofilm activity, it resulted in a dysregulation of the genes encoding biofilm formation (fimH, mrkA and mrkD) using qRT-PCR in nine K. pneumoniae isolates. The in vivo anti-Toxoplasma potential was demonstrated by decreasing the mortality rate of mice and reducing the tachyzoites' count in the peritoneal fluids and liver impression smears of mice. In addition, the deformities of the parasite decreased, as revealed by SEM and the inflammation in tissues diminished. Thus, A. niger endophytic fungi could be a valuable source of antibacterial and anti-Toxoplasma compounds. [ABSTRACT FROM AUTHOR]

Obesity is associated with chronic low-grade inflammation, characterised by the up-regulation of pro-inflammatory cytokines in obese adipose tissue. In this study, 3T3-L1 CM enhanced TNF-α and IL-1β in RAW 264.7 cells compared with LPS treated cells. However, treatment with Varanadi kashayam suppressed the inflammatory changes associated with RAW 264.7 cells. Subsequently, RAW CM used to stimulate adipocytes, resulting in decreased intracellular lipid content and reduced adipogenic markers after Varanadi kashayam treatment. The chemical profiling of Varanadi kashayam using UHPLC-Q-Orbitrap-HRMS identified 194 compounds by comparing their retention time, the experimentally measured exact mass of precursor, and fragmented ions, and fragmentation pattern with spectral library and reported literature. Collectively, Varanadi kashayam act as a potent anti-inflammatory and anti-adipogenic agent that could disrupt the crosstalk between adipocytes and macrophages. Hence it could be a better candidate for reducing inflammation associated with obese adipose tissue. [ABSTRACT FROM AUTHOR]

The current study aimed to identify the chemical constituents and bioactivities of the crude ethanolic extract (CEE) and its fractions (ethyl acetate (EAF), hexane (HEF), and aqueous (AEF)) from leaves of cashew (Anacardium occidentale L.) grown in Vietnam. A total of 31 compounds which belong to alkanes, hydrocarbons, iodine, terpenoids, phenolics, and flavonoids were determined by a gas chromatography–mass spectrometry (GC–MS) analysis, with bis(2‐ethylhexyl) phthalate being the most prevailing compound. The highest total phenolic and flavonoid contents were obtained in the EAF, followed by HEF, CEE, and AQF. All samples showed promising in vitro antibacterial activity, enzyme inhibition, and anticancer activity. Among the samples tested, the EAF exhibited the highest enzyme inhibition activity against α‐amylase and α‐glucosidase (IC50 values of 51.24 μg/mL and 99.29 μg/mL, respectively), cytotoxicity activity against HeLa cells (IC50 value of 79.49 μg/mL), and antibacterial activity against Bacillus subtilis and Escherichia coli with MIC values of 5 mg/mL and 2.5 mg/mL, respectively. These findings suggest that the leaves of A. occidentale cultivated in Vietnam are a promising source of bioactive components and that EAF is a promising bioactive material warranting further pharmaceutical investigation. [ABSTRACT FROM AUTHOR]

Background: Guggulutiktam Kashayam (GTK) is a water decoction used in Ayurveda for the treatment of various diseases like skin diseases, ulcers, anemia, thyroid problems, stress, liver disease, and leucorrhoea. It is a polyherbal formulation prepared from specific parts of 28 medicinal plants. Objectives: The study aimed at a comparative phytochemical evaluation of an important polyherbal formulation with its ingredient plants. Materials and Methods: Chemical profiling of GTK has been carried out in comparison with its ingredient plants. Spectrophotometric estimation of major class compounds and high-performance thin-layer chromatography (HPTLC) profiling were done using a standardized protocol. Results: The results of the study showed that the phytochemical contents of the finished formulation are different from those of the ingredient plants, which might be due to the numerous synergistic and antagonistic interactions of numerous chemical components extracted from different ingredient drugs. HPTLC-based comparative chromatograms showed the differences and similarities in certain compounds that are specific to some of the plant ingredients. Conclusion: The study established the cumulative chemical interactions of various phytochemicals during the preparation of an important polyherbal formula used in Ayurveda. [ABSTRACT FROM AUTHOR]

In various countries, Pimpinella has been used to cure several diseases for centuries. Therefore, we focus on one of its potent species in this research. The aim of this experimental study was to document the various extracts derived from Pimpinella anisum that can effectively eradicate oral pathogens. In addition, the presence of antioxidants, antimicrobials, and cytotoxicity was determined using chromatographic testing methods. The alkaloid range was from 22.34 ± 043 mg/g, and the saponin range was from 15.1 ± 1.07 mg/g. HPLC analysis showed that the samples contained eight identified phenolic compounds. The antibacterial activity of ethanolic extract exhibited the highest inhibition region against Streptococcus iniae (43 ± 0.6 mm) and the lowest inhibition region against Staphylococcus haemolyticus (19 ± 0.2 mm) in 200 mg/mL of leaf ethanolic extracts. The antifungal activity revealed that ethanol showed the maximum inhibition zone against Aspergillus luchuensis (42.5 ± 0.19 mm) and the minimum inhibition zone against Aspergillus kawachii (15 ± 0.13 mm) in 200 mg/mL. The current study suggested that, after the isolation of individual components, P. anisum be investigated for assessing biological activity. The mixture and various combinations of these compounds may indicate a truly potent agent that is novel in its ability to combat a wide range of bacteria and oral pathogens. [ABSTRACT FROM AUTHOR]

The constituents and antioxidant activities of Cyperus exaltatus var. iwasakii (CE) have not been studied to date. In this study, the 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzothiazoline-6 sulfonic acid) (ABTS) assays were used to evaluate the radical-scavenging activities of the ethanol extract, four fractions, and isolated compounds of CE. In addition, phenolic acids and flavonoids were isolated from the ethanol extract of CE using column chromatography. The compounds identified by spectroscopy were gallic acid, protocatechuic acid, vanillic acid, p-coumaric acid, rutin, ferulic acid, isoquercitrin, astragalin, quercetin, luteolin, apigenin, tricin, and kaempferol. Quantitative analysis using high-performance liquid chromatography (HPLC) revealed that the major flavonoids of CE were astragalin and tricin and that the major phenolic acid was p-coumaric acid. In addition, comparative analysis of CE from Ganghwa and Hampyeong habitats using HPLC showed that the Hampyeong CE had a higher phytochemical content. Comparative analyses of the isolated compounds were also conducted among five Cyperus species. The highest antioxidant activities were found in the ethyl acetate (EtOAc) fraction, and among the compounds isolated from CE, vanillic acid and quercetin showed remarkable antioxidant activity even when compared with ascorbic acid. The results demonstrate the usefulness of CE, which has not been sufficiently studied previously, and will facilitate the evaluation of its potential effectiveness as antioxidant functional plant material. [ABSTRACT FROM AUTHOR]

• Metabolomics enhance the efficiency of natural product chemical profiling analysis • Chemometric analysis showed significant chemical variation in 3 Adenostemma species • Most compounds were first reported in the Adenostemma genus • Phenolics and flavonoids have the best docking scores • Molecular dynamic simulations showed that all ligand-protein complexes were stable Adenostemma has a long history of use in folk medicine to treat conditions such as fever, inflammation, and lung damage. Despite their importance, no scientific studies have reported their antibacterial properties, and most previous studies have used bioassay-guided methods for chemical investigations. Therefore, the aims of this study were to analyze the chemical profiles of different Adenostemma species using metabolomics method and to investigate their antibacterial properties using an in silico method. Leaf samples were extracted with methanol using sonication and analyzed using liquid chromatography coupled with mass spectrometry (LC-MS/MS). Based on these results, 35 putative compounds were identified, many of which have not been previously reported in Adenostemma species. Multivariate statistical analysis revealed separate clusters for the three species, confirming the substantial chemical differences between their extracts. Molecular docking analysis showed that dicaffeoylquinic acid had the strongest binding for Staphylococcus aureus UDP-GlcNAc 2-epimerase (PDB ID: 5ENZ). Eriodictyol 7-O-sophoroside and pectolinarigenin exhibited the best docking scores for Pseudomonas aeruginosa pyochelin synthase PchD (PDB ID: 7TYB) and Escherichia coli LpxD acyltransferase (PDB ID: 6P86) respectively. Molecular dynamics simulations revealed that all ligand-protein complexes were stable. These results indicated that metabolomics and in silico methods have greatly benefited the rapid screening of metabolites and in preliminary studies to determine the antibacterial potential of Adenostemma as a medicinal plant. [ABSTRACT FROM AUTHOR]