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This study aimed to provide insights into a novel honey screening and authentication approach. Chemometrics associated with a GC/MS instrumentation was applied to verify a total of 13 honey samples having different floral and geographical origin with an aim to detect buckwheat honey and discriminate it from honeys of other floral sources. Non-polar and semi-polar compounds were first extracted and then detected and semi-quantified employing a GC/MS device working in a full scan mode. Fingerprinting signals covering peaks that elute in the first 20 min, comprising 2000 scans of semi-polar compounds, were used as input datasets for unsupervised and supervised chemometric tools. This approach demonstrated excellent classification performances of honey samples according to the declared floral source, regardless of their geographical origin. The obtained results were compared with the outputs of a common melissopalynological procedure. Although exhibiting a high variability in the pollen content, samples declared as buckwheat honey demonstrated similar chemical profiles. The proposed non-targeted and semi-quantitative method showed to be rapid, unbiased, independent of tedious qualitative and quantitative determinations of eluting compounds, thus exhibiting a strong potential to be incorporated into data fusion procedures for honey authentication. Harmonising chemical methodologies with certain indications from pollen analysis to form core-data systems would undoubtedly improve the authentication protocols of honey floral sources. [ABSTRACT FROM AUTHOR]

Practical Application In this work, wine vinegars macerated with figs under different conditions have been characterized for the first time. Samples were analyzed by solid phase microextraction and gas chromatography coupled to mass spectrometry, sensory and physicochemical analysis. The results revealed that fig maceration of wine vinegars influenced the physicochemical, sensory, and volatile profiles of the final product, which were mainly affected by the fig amount (10, 20 or 30%), the fig type (fresh or dry) and the base wine vinegar (young or aged) used, and to a lesser extent the way the fig was added (crushed or chopped). The maceration, regardless the conditions used, increased the fruity notes, overall taste and visual impression, the tonality, total polyphenols and sugar content, and the presence of some volatile compounds, mainly terpenes and ketones, such as (Z)‐p‐mentha‐2,8‐dien‐1‐ol, or β‐damascenone. Therefore, maceration increased the organoleptic complexity, which could enhance the acceptability of consumers towards these products.This research studied how wine vinegars macerated with figs affect in different ways their taste, smell, and chemical properties. Thus, the results showed that these wine vinegars made with fig maceration by using different amounts and types of figs, as well as the type of vinegar used, changed their characteristics, making them smell and taste fruitier and more pleasant. This could be useful for making better‐tasting and more appealing vinegars for consumers who enjoy unique and enhanced flavors in their food. [ABSTRACT FROM AUTHOR]

Eriobotrya japonica Lindl. (Loquat) fruit is a subtropical edible fruit originally from China. It grows well in Egypt, but it is not widely known. In the current study, the fruit was extracted with 80% ethanol to get the total ethanol extract (TEE). A part of which was fractionated by dichloromethane to yield polar and nonpolar fractions (PF and NPF). The antioxidant and anti‐inflammatory activities of the TEE were in vitro evaluated. The complete Freund's adjuvant (CFA) arthritis model was used to explore the in vivo biological assessment of the anti‐arthritic properties in vivo of the TEE, PF, and NPF of the fruit. Additionally, the inspected limbs detached from all animals were subjected to histological inspection. Moreover, GC/MS analysis of the unsaponifiable (USF) and saponifiable (SF) fractions of the NPF was performed. Furthermore, 64 metabolites from various chemical classes were identified using UHPLC/HR‐MS/MS analysis of the TEE of the fruit in both positive and negative ionization modes. The positive ionization mode of loquat fruit allowed for the first time the detection of two kinds of lyso‐glycerophospholipids (Lyso‐GPLs): lyso‐glycerophosphoethanolamines (Lyso‐PtdEtn) and lyso‐glycerophosphocholines (Lyso‐PtdCho). The fruit extracts exhibited a notable in vivo anti‐arthritic activity by decreasing paw thickness in the treated rats and adjusting the inflammatory mediators. The TEE showed the highest anti‐arthritic activity, followed by the PF that showed an observed activity, while the NPF exhibited the lowest activity. Histopathological findings showed a marked improvement in the arthritic condition of the excised limbs. Thus, E. japonica fruit may be considered as a promising natural antioxidant and anti‐arthritic agent. [ABSTRACT FROM AUTHOR]

Plant-pathogenic bacteria are one of the major constraints on agricultural yield. In order to selectively treat these bacteria, it is essential to understand the molecular structure of their cell membrane. Previous studies have focused on analyzing hydrolyzed fatty acids (FA) due to the complexity of bacterial membrane lipids. These studies have highlighted the occurrence of branched-chain fatty acids (BCFA) alongside normal-chain fatty acids (NCFA) in many bacteria. As several FA are bound in the intact phospholipids of the bacterial membrane, the presence of isomeric FA complicates lipid analysis. Furthermore, commercially available reference standards do not fully cover potential lipid isomers. To address this issue, we have developed a reversed-phase high-performance liquid chromatography (RP-HPLC) method with tandem mass spectrometry (MS/MS) to analyze the phospholipids of various plant-pathogenic bacteria with a focus on BCFA containing phospholipids. The study revealed the separation of three isomeric phosphatidylethanolamines (PE) depending on the number of bound BCFA to NCFA. The validation of the retention order was based on available reference standards in combination with the analysis of hydrolyzed fatty acids through gas chromatography with mass spectrometry (GC/MS) after fractionation. Additionally, the transferability of the retention order to other major lipid classes, such as phosphatidylglycerols (PG) and cardiolipins (CL), was thoroughly examined. Using the information regarding the retention behavior, the phospholipid profile of six plant-pathogenic bacteria was structurally elucidated. Furthermore, the developed LC–MS/MS method was used to classify the plant-pathogenic bacteria based on the number of bound BCFA in the phospholipidome. [ABSTRACT FROM AUTHOR]

Infectious diseases, including vector-borne and antibiotic-resistant infections, present significant global health challenges, necessitating the exploration of natural alternatives for disease control. In this study, we investigated the essential oil (EO) profile as well as larvicidal and antibacterial properties of two wild Apiaceae species used in Algeria: Daucus carota L. (DCEO) and Foeniculum vulgare Mill. (FVEO). EO was extracted from the aerial parts by steam distillation and analyzed using Gas Chromatography Mass Spectrometry (GC/MS). Major constituents identified in DCEO were geranyl acetate (50.07%) and elemicin (10.77%), while FVEO contained estragole (24.93%), fenchone (20.20%), and α-phellandrene (17.96%). Both EOs were highly effective towards Culex pipiens larvae, with low LC50 values of 30.6 ± 1.06 ppm for DCEO and 34.7 ± 1.06 ppm for FVEO, indicating their potential as bioinsecticides due to their bioactivity and bioavailability. Additionally, the two Eos demonstrated moderate antibacterial efficacy against gram-positive bacteria, Staphylococcus aureus ATCC 25923 and Staphylococcus aureus MRSA ATCC 43300, respectively, with DCEO showing MIC values of 10 and 20 mg/mL, respectively, and FVEO exhibiting MIC values > 20 mg/mL. However, both EOs showed limited effectiveness against gram-negative bacteria, Escherichia coli ATCC 25922 and Klebsiella pneumonia ATCC 700603. These results highlight the potential applications of DCEO and FVEO as natural bioinsecticides and antibacterial agents, offering promising avenues for further research and development in pest control and food preservation. [ABSTRACT FROM AUTHOR]

Citrus seed waste is a significant byproduct of the Citrus processing industry. While Citrus fruit is a rich source of bioactive chemicals, little is known about the possible health benefits of the seeds. This study investigates the antioxidant and antibacterial properties of Citrus volkameriana Ten. & Pasq. (Family: Rutaceae) seeds' extracts as well as their constituents, to identify potential applications for this underutilised resource. The studied extracts are petroleum ether extract (CVPE) and 70 % aqueous methanolic extract (CVME). CVPE exhibited higher antioxidant activity than CVME using ABTS and ferric-reducing antioxidant power (FRAP) assays. The antimicrobial activity was evaluated using the disc diffusion method against different microbial strains, CVME inhibited the growth of Staphylococcus aureus, Staphylococcus epidermidis, and Helicobacter pylori at a minimal inhibitory concentration (MIC), ranging between 2.2 and 97 mg/mL. Whereas CVPE only inhibited the growth of methicillin-resistant Staphylococcus aureus (MRSA) at MIC 41.6 mg/mL. CVME showed potentially bactericidal activity against Staphylococcus aureus and Pseudomonas aeruginosa with a minimal bactericidal concentration (MBC) of 83.25 mg/mL for each. The MBC of CVME reached 20 mg/mL against Staphylococcus epidermidis. GC/MS analysis of the unsaponifiable and the saponifiable matters of CVPE revealed the identification of forty-three and fifteen compounds, respectively. Twenty compounds were identified in CVME using HPLC-ESI-MS/MS analysis where caffeic acid, quinic acid, caffeoyl quinic acid, citric acid, astringin, luteone 7- O -glucoside, and myricetin are the major peaks. Moreover, in silico molecular docking, drug-likeness, and ADMET features investigations were performed to identify the potential antimicrobial compounds from CVME. Astringin, luteone 7- O -glucoside, and myricetin showed the best docking score and good binding interactions with the active site of the bacterial target enzymes, DNA Gyrase B, topoisomerase and H. Pylori peptide deformylase. Finally, this study suggests that C. volkameriana seed extracts have the potential to be a natural source of antioxidants and antimicrobials. CVME, which is rich in phenolic compounds and has a wider spectrum of antimicrobial activity, could be a good candidate for further development. [Display omitted] • Citrus volkameriana seed extracts exhibit potential as natural antimicrobials. • 70 % aqueous methanol extract (CVME) showed a broader antibacterial activity. • In silico analysis identified CVME constituents with the potential to target bacteria. • CVME could be beneficial against skin infections and urinary tract infections. [ABSTRACT FROM AUTHOR]

The use of post-consumer recycled (PCR) plastic materials in sensitive packaging applications, such as for cosmetic products and detergents, requires a clear understanding of the identities and quantities of chemical substances, which they may release into packed products. With many potential sources of and thus different types of potentially releasable substances, a reliable non-targeted screening method is required to assess these materials. Such a method should be readily applicable in industrial practice and provide a realistic estimation of substance release. This investigation focused on the use of gas chromatography/coupled mass spectrometry (GC/MS) to analyze substances, which recycled HDPE (rHDPE) plastic pellets release into 95% ethanol under accelerated testing conditions. The results of the repeated testing of reference samples clearly demonstrated the good reproducibility of the described methodology, with standard deviations of repeated determinations of the total released substance amounts of 6.8–8.1%. The application to several production batches of three commercial rHDPE grades additionally demonstrated that the batch-to-batch variation of substances which rHDPE materials release can be confined to less than 10% of variation of the total detectable substance amount. The described methodology is therefore seen as a pragmatic, repeatable assessment of recycled HDPE plastic batches with a view to substance release. [ABSTRACT FROM AUTHOR]

Papaver genus, commonly known as popies, is a valuable source of alkaloids used in medicine, including papaverine, morphine, codeine, and thebaine. We isolated six endophytic fungal isolates producing morphinan alkaloids from four Papaver species growing in Kurdistan Province, Iran. To do this, a 1:1 mixture of methanol and chloroform was used to extract fungal cultures. The contents of morphinan alkaloids in the extracts were subsequently determined using phase high-performance liquid chromatography. Among the morphinan alkaloid-producing fungal isolates, IRAN 4653C had the highest yield giving 23.06 (mg/g) morphine and 2.03 (mg/g) codeine when grown in potato dextrose liquid medium. The identity of this isolate was examined and recognized as a new fungal species named as Pithoascus kurdistanesis sp. nov. based on multi-gene phylogenetic analyses of ITS, TEF-1α, and TUB2 sequences data and morphological features. The morphinan-producing endophytic fungus and the isolated Pithoascus species from Papaver are being reported for the first time. Accordingly, this fungus shows promise as a new source of valuable compounds which is illustrated and introduced here as a new Microascaceae member belonging to Pithoascus from Kurdistan Province, Iran. Moreover, the morphinan productivity of P. kurdistanesis was further validated by gas chromatography-mass spectrometry (GC–MS). [ABSTRACT FROM AUTHOR]

It still remains a great challenge to selectively enrich and sensitively quantify the trace volatile organic compounds (VOCs) in real samples with complex matrix. In this study, an integration method combining a selective enrichment medium of reduced graphene oxide (rGO) with a specially designed micro thermal-assisted purge-and-trap sampling device was developed for efficient enrichment and sensitive quantification of trace tobacco VOCs coupling with thermal desorption (TD)-gas chromatography/mass spectrometry (GC/MS). The prepared rGO has been proved to possess excellent enrichment selectivity and capacity for tobacco polar VOCs with the multi-layer structure, good thermal stability and large specific surface area. The specially designed sampling device was efficient and suitable for enriching and sampling trace polar tobacco VOCs coupling with rGO medium. Under the optimized sampling and analytical conditions, the established analytical method could be actually applied for quantification of typical tobacco polar VOCs with the good recoveries of 72.9–128% and the satisfied RSDs of 1.8–19.9% (n = 3). The results suggested that the developed method was selective, sensitive and reliable for enrichment and quantification of trace tobacco polar VOCs. [ABSTRACT FROM AUTHOR]

Abstract Papaver genus, commonly known as popies, is a valuable source of alkaloids used in medicine, including papaverine, morphine, codeine, and thebaine. We isolated six endophytic fungal isolates producing morphinan alkaloids from four Papaver species growing in Kurdistan Province, Iran. To do this, a 1:1 mixture of methanol and chloroform was used to extract fungal cultures. The contents of morphinan alkaloids in the extracts were subsequently determined using phase high-performance liquid chromatography. Among the morphinan alkaloid-producing fungal isolates, IRAN 4653C had the highest yield giving 23.06 (mg/g) morphine and 2.03 (mg/g) codeine when grown in potato dextrose liquid medium. The identity of this isolate was examined and recognized as a new fungal species named as Pithoascus kurdistanesis sp. nov. based on multi-gene phylogenetic analyses of ITS, TEF-1α, and TUB2 sequences data and morphological features. The morphinan-producing endophytic fungus and the isolated Pithoascus species from Papaver are being reported for the first time. Accordingly, this fungus shows promise as a new source of valuable compounds which is illustrated and introduced here as a new Microascaceae member belonging to Pithoascus from Kurdistan Province, Iran. Moreover, the morphinan productivity of P. kurdistanesis was further validated by gas chromatography-mass spectrometry (GC–MS).

Abstract Rosa damascena Mill., commonly known as the King Flower, is a fragrant and important species of the Rosaceae family. It is widely used in the perfumery and pharmaceutical industries. The scent and color of the flowers are significant characteristics of this ornamental plant. This study aimed to investigate the relative expression of MYB1, CCD1, FLS, PAL, CER1, GT1, ANS and PAR genes under two growth stages (S1 and S2) in two morphs. The CCD1 gene pathway is highly correlated with the biosynthesis of volatile compounds. The results showed that the overexpression of MYB1, one of the important transcription factors in the production of fragrance and color, in the Hot pink morph of sample S2 increased the expression of PAR, PAL, FLS, RhGT1, CCD1, ANS, CER1, and GGPPS. The methyl jasmonate (MeJA) stimulant had a positive and cumulative effect on gene expression in most genes, such as FLS in ACC.26 of the S2 sample, RhGT1, MYB1, CCD1, PAR, ANS, CER1, and PAL in ACC.1. To further study, a comprehensive analysis was performed to evaluate the relationship between the principal volatile compounds and colors. Our data suggest that the rose with pink flowers had a higher accumulation content of flavonoids and anthocyanin. To separate essential oil compounds, GC/MS analysis identified 26 compounds in four samples. The highest amount of geraniol, one of the main components of damask rose, was found in the Hot pink flower, 23.54%, under the influence of the MeJA hormone.

Coacervation is a low-energy method that is ideal for encapsulating heat-sensitive materials, e.g., limonene, citral, linalool, and isoamyl acetate. This research used a simple coacervation method to prepare flavoring beads with alginate and Tween 80. The methods of scanning electron microscopy (SEM) and fourier transform infrared (FTIR) spectroscopy made it possible to study the morphology and structure of the flavoring beads. After the extraction, the flavor retention and structure were described using the method of gas chromatography with mass spectrometry (GC-MS). The microcapsules demonstrated a retention rate of 99.07–99.73% while the encapsulation efficiency remained as high as 96.40–97.07%. The microcapsules had a mononuclear structure and ranged from spherical to elongated ellipsoids; they were sealed without agglomeration. The particle size was below 1000 µm. The GC-MS chromatograms detected neither structural changes nor any new compounds. The FTIR spectra were similar to the control but demonstrated slight shifts, which suggested fundamental structural changes caused by the coacervation. We also fortified sponge cake and jelly with flavoring beads. The sensory analysis of the sponge cake samples revealed no significant differences compared to the control. All the fortified jelly samples had higher scores for smell, taste, texture, and overall preference than the control. The coacervation method proved to be an excellent solution for the problem of heat-sensitive flavorings that often lose quality or sensory attributes in food products that undergo extensive thermal treatment.

Abstract Background Plant extracts have attracted significant interest among researchers due to their potential bioactivity and crucial contribution to the production of pharmaceutical compounds. In this study, the primary objective was to extract, analyze and characterize the bioactive compounds found in the methanol root extract of Datura fastuosa (D. fastuosa). This was achieved using various analytical techniques such as gas chromatography/mass spectrometry (GC–MS), ultra-violet visible spectrophotometry, Fourier-transform infrared (FT-IR), nuclear magnetic radiation spectrometry (NMR) and DPPH free radical scavenging activity assay. Results GC–MS analysis of the methanol root crude extract identified 49 compounds. Three compounds were isolated via column chromatography; one was pure, with a sharp melting point and clean IR spectrum, while the other two showed broad melting points and IR interferences. Comprehensive investigation of the pure extract revealed a UV profile with two distinct bands (300–800 nm) and confirmed functional groups (alcohol, alkanes, alkenes, carbonyl, methylene, and methyl) through FT-IR analysis. The 1HNMR (proton nuclear magnetic resonance spectroscopy) signal confirmed the presence of forty-nine non-equivalent protons, 13CNMR (Carbon-13 nuclear magnetic resonance spectroscopy) signal confirmed the presence of 32 non-equivalent carbons and DEPT-135 (distortionless enhancement by polarization transfer-135) signal confirmed the presence of 24 carbons (17 for odd and 7 for even) which are protons containing carbons in the compound. Combining the above mentioned analyses with data obtained from the GC/MS analysis of National Institute of Standards and Technology (NIST) library, the isolated pure compound exhibited a structural similarity to 1-(7-(3-hydroxyphenyl)-1,1,4a,5,6,9,10a,10b-octamethyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl)propan-1-one, with a chemical formula of C35H50O2. Conclusions The presence of various notable compounds, including phenolics, flavonoids, alkaloids, steroids etc., within the methanol root extract of D. fastuosa signifies its pharmacological potential. The methanol crude extract demonstrated antioxidant potential compared to standard ascorbic acid, exhibiting DPPH scavenging activity. Previous research has demonstrated the bioactivity of some of these compounds, further elucidating the plant’s medicinal properties. These findings not only suggest opportunities for developing synthetic drugs but also underscore its direct therapeutic potential in addressing diverse ailments.

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.

Citrus aurantium L. hydrosol extracted by steam distillation from its flowers is a highly consumed herbal product in the Iranian traditional market, widely used as a food flavor and therapeutic food and drinks. This study investigated ten commercial hydrosol samples of C. aurantium flowers produced by conventional extraction methods and industrial processes, as well as a laboratory-prepared control sample. A liquid-liquid extraction method and sonication were used to extract essential oils from commercial hydrosols. Samples were then subjected to GC/MS analysis. ATR-IR spectroscopy was another efficient tool used to analyze hydrosol samples. All HPTLC chromatograms exhibited a close resemblance between samples and controls. The cluster analysis was used to compare the results of GC/MS and IR screening. In the HCA dendrograms derived from the GC/MS data, most of the oil sample profiles were found to be very similar to those of the control. Linalool was the most abundant compound in eight samples and the control. α-Terpineol in all hydrosol samples and geraniol in five samples and control were other marker compounds. Ethyl disulfide, dillapiol, and hotrienol were detected in two samples that have not been reported in previous studies and might have resulted from the addition of other herbal hydrosols. Microbial content and pH values were within permissible limits in all samples, making them safe for oral consumption.

Background: Plant extracts have attracted significant interest among researchers due to their potential bioactivity and crucial contribution to the production of pharmaceutical compounds. In this study, the primary objective was to extract, analyze and characterize the bioactive compounds found in the methanol root extract of Datura fastuosa (D. fastuosa). This was achieved using various analytical techniques such as gas chromatography/mass spectrometry (GC–MS), ultra-violet visible spectrophotometry, Fourier-transform infrared (FT-IR), nuclear magnetic radiation spectrometry (NMR) and DPPH free radical scavenging activity assay. Results: GC–MS analysis of the methanol root crude extract identified 49 compounds. Three compounds were isolated via column chromatography; one was pure, with a sharp melting point and clean IR spectrum, while the other two showed broad melting points and IR interferences. Comprehensive investigation of the pure extract revealed a UV profile with two distinct bands (300–800 nm) and confirmed functional groups (alcohol, alkanes, alkenes, carbonyl, methylene, and methyl) through FT-IR analysis. The 1HNMR (proton nuclear magnetic resonance spectroscopy) signal confirmed the presence of forty-nine non-equivalent protons, 13CNMR (Carbon-13 nuclear magnetic resonance spectroscopy) signal confirmed the presence of 32 non-equivalent carbons and DEPT-135 (distortionless enhancement by polarization transfer-135) signal confirmed the presence of 24 carbons (17 for odd and 7 for even) which are protons containing carbons in the compound. Combining the above mentioned analyses with data obtained from the GC/MS analysis of National Institute of Standards and Technology (NIST) library, the isolated pure compound exhibited a structural similarity to 1-(7-(3-hydroxyphenyl)-1,1,4a,5,6,9,10a,10b-octamethyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl)propan-1-one, with a chemical formula of C35H50O2. Conclusions: The presence of various notable compounds, including phenolics, flavonoids, alkaloids, steroids etc., within the methanol root extract of D. fastuosa signifies its pharmacological potential. The methanol crude extract demonstrated antioxidant potential compared to standard ascorbic acid, exhibiting DPPH scavenging activity. Previous research has demonstrated the bioactivity of some of these compounds, further elucidating the plant's medicinal properties. These findings not only suggest opportunities for developing synthetic drugs but also underscore its direct therapeutic potential in addressing diverse ailments. [ABSTRACT FROM AUTHOR]

ABSTRACT Propolis, a bee product, is renowned globally for its diverse pharmacological activities attributed to its phenolic compounds, flavonoids, and terpenes. This study aims to identify the chemical compounds in Algerian raw propolis and evaluate the protective potential of its inclusion complex. Gas chromatography–mass spectrometry (GC/MS), differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA) were used for chemical characterization. Additionally, molecular docking against SARS‐COVID‐2 main proteases and ADMET profiling were conducted. The analysis revealed α‐pinene (25.29%–11.04%) and limonene (22.46%–12.88%) as the major components in raw propolis and its complex. DSC/TGA analysis demonstrated the protective effect of encapsulated molecules, with limonene and α‐pinene showing high activity against SARS‐COVID‐2 main proteases 7N5Z, 6LU7, and 7E6L, with docking scores of −5.71, −5.61, and −5.10 kcal/mol, respectively. This study highlights the potential of propolis constituents as drug candidates against the SARS‐COVID‐2 pandemic. [ABSTRACT FROM AUTHOR]

Rosa × damascene Mill. plant is one of the most well-known plants in the history of horticulture, which is cultivated in many regions of the world due to its wonderful aroma and variety of cultivars. This research was perpetrated to investigate the morphological and phytochemical differences of three genotypes between R. × damascena cultivated in Urmia. For this purpose, in RCB (randomized complete block) design, three genotypes of R. × damascena (Tabriz, Kashan and Bi-Khar) were cultivated in the research farm of West-Azerbaijan Branch of ACECR. In the third year after planting and when flowering, traits such as fresh and dry weight of flowers, percentages of essential oil, essential oil components and polyphenol compound were studied. Based on results, the highest flower dry weight (21.5 gram per 100-g fresh flower) was obtained in Kashan genotype and the lowest flower dry weight (17.7 gram per 100 gram fresh flower) was obtained in Bi-Khar genotype. The results of essential oil extraction with Clevenger showed that the highest (0.028%) and lowest (0.011%) essential oil percentage were obtained in Kashan and Bi-Khar genotypes, respectively. Analysis by GC-MS identified 88.60%, 94.94% and 91.22% of essential oil components of Kashan, Tabriz and Bi-Khar genotypes, respectively. Also, 6-octen-1-ol, geraniol, nonadecane and eicosane were the great constituents of essential oils of all three genotypes. The present study show that the ovulated genotypes are a good source of polyphenolic compounds and valuable components of the essential oil of the damask rose. [ABSTRACT FROM AUTHOR]

Alyssum genus has many ethnobotanical uses due to the bioactive compounds it contains (glucosinolates, hydrocarbons, fatty acids and phenolic compounds, etc.). The objective of this study was to assess the total phenolic content, potential bioactive components and cytotoxic effects of ethanol extracts obtained from different parts (root, stem and leaf) of Alyssum floribundum. The Folin-Ciocalteu colorimetric method was utilized to measure the total phenolic content of all extracts. The total phenolic content of different parts A. floribundum were 12.6 ± 02, 8.2 ± 1.2 and 4.9 ± 0.8 mg GAE/g, respectively. The bioactive compounds of different parts A. floribundum were shown by employing gas chromatography coupled to mass spectrometry (GC/MS) and were identified to contain 30 different chemical components in all parts of the plant. The cytotoxic effect was evaluated using the xCELLigence method on the DU-145 prostate cancer cell line. The root, stem and leaf extracts of A. floribundum displayed the strongest cytotoxicity against the DU-145 prostate cancer cell act in a dose-dependent manner after 24 and 48 h with IC50 values of various concentrations after 24 and 48 h were calculated and determined as 192.1–157.4 µg/mL, 29.12–26.93 µg/mL and 226.4–80.23 µg/mL, respectively. [ABSTRACT FROM AUTHOR]

Aspergillus flavus is a cosmopolitan saprophytic fungus that infests several foodstuffs and is associated with adverse effects in humans. In Senegal, significant losses of groundnut production are mainly due to contamination caused by this species. This study evaluated in vitro antifungal activities of Cyperus articulatus, Cyperus rotundus and Lippia alba essential oils against A. flavus isolated from peanut seeds. Essential oils obtained by hydrodistillation of rhizomes of the two Cyperus species and leaves of L. alba were analyzed with GC-DIF and GC-MS. The essential oil yields from C. articulatus, C. rotundus and L. alba were 1.1%, 1.3% and 1.7%, respectively. These three samples had the following chemotypes: (i) mustakone (21.4%)/eudesma-4(15)-7-dien-1β-ol (8.8%)/caryophyllene oxide (5.9%), (ii) caryophyllene oxide (25.2%)/humulene epoxyde 2 (35.0%) and (iii) geranial (46.6%)/neral (34.6%). The three oils tested inhibited the growth of A. flavus at concentrations between 100 and 1000 ppm. The L. alba oil was the most effective with total clearance of A. flavus on PDA. For the essential oils of C. rotundus (93.65%) and C. articulatus (78.11%), the highest inhibition rates were obtained with a 1000 ppm dose. Thus, L. alba oil could be used safely as an effective protector of groundnuts against A. flavus. [ABSTRACT FROM AUTHOR]

In order to assess compliance with maximum residue levels in foods and evaluate the exposure of the Danish population to pesticides, a comprehensive monitoring programme was conducted. The work from 2012-2017 involved testing pesticide residues in fruits, vegetables, cereals, animal product and processed commodities. The sampling strategy, mainly based on exposure calculations and previous findings, involved the collection of 13,492 samples primarily from fresh conventional and organic produces on the Danish market. The origin of the samples varied, with 34% being of Danish origin and 67% originating from EU and non-EU countries. The results revealed that residues in conventionally grown produce were detected in 54% of the fruit and vegetable samples, and 30% of the cereal samples. Additionally, residues above the maximum residue limits were found in 1.8% of these samples, most frequently in fruits. As previous years, more residues were found in samples of foreign origin compared to samples of Danish origin. Compared to earlier findings more than 40 pesticides were detected for the first time and including boscalid, imidacloprid, thiacloprid, etofenprox, and spinosad, all detected more than 100 times. The data shows that detection of PFAS pesticides has increased dramatically, from 24 in 2006 to 412 in 2022. [ABSTRACT FROM AUTHOR]

The gut microbiome, crucial to human health, changes with age and disease, and influences metabolic profiles. Gut bacteria produce short-chain fatty acids (SCFAs), essential for maintaining homeostasis and modulating inflammation. Dysbiosis, commonly due to poor diet or lifestyle, disrupts the integrity of the intestinal barrier and may contribute to conditions such as obesity, diabetes, and non-alcoholic fatty liver disease (NAFLD). Analytical methods such as gas chromatography–mass spectrometry (GC/MS) are vital for SCFA analysis, with various preparation and storage techniques improving the accuracy. Advances in these methods have improved the reliability and sensitivity of SCFA quantification, which is crucial for the identification of disease biomarkers. Evidence from GC/MS-based studies has revealed that accurate SCFA quantification requires meticulous sample preparation and handling. The process begins with the extraction of SCFAs from biological samples using methods such as direct solvent extraction or solid-phase microextraction (SPME), both of which require optimization for maximum recovery. Derivatization, which chemically modifies SCFAs to enhance volatility and detectability, is a crucial step, typically involving esterification or silylation. Following this, the cleanup process removes impurities that might interfere with the analysis. Although recent advances in GC/MS technology have significantly improved SCFA-detection sensitivity and specificity, proper sample storage, with acid preservatives and the avoidance of repeated thawing, is essential for maintaining SCFA integrity. [ABSTRACT FROM AUTHOR]

The volatilome profile of some biofluids (blood, urine, and human semen) identified by Solid-Phase Microextraction–Gas Chromatography/Mass Spectrometry (SPME-GC/MS) and collected from young men living in two high-pollution areas in Italy, i.e., Land of Fires and Valley of Sacco River, have been coupled to sperm parameters obtained by spermiogram analysis to build general multiple regression models. Panels of volatile organic compounds (VOCs) have been selected to optimize the models and used as predictive variables to estimate the different sperm quality parameters (sperm cell concentration, total and progressive motility/immotile cells, total/head/neck/tail morphology anomalies, semen round cell concentration). The results of the multiple linear regression models based on the different subgroups of data joining VOCs from one/two or three biofluids have been compared. Surprisingly, the models based on blood and urine VOCs have allowed an excellent estimate of spermiogram values, paving the way towards a new method of indirect evaluation of semen quality and preventive screening. The significance of VOCs in terms of toxicity and dangerousness was discussed with the support of chemical databases available online. [ABSTRACT FROM AUTHOR]

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: Mosquitoes are widespread globally and have contributed to transmitting pathogens to humans and the burden of vector-borne diseases. They are effectively controlled at their larval stages by biocontrol agents. Unravelling natural sources for microbial agents can lead us to novel potential candidates for managing mosquito-borne diseases. In the present study, an attempt was made to isolate a novel bacterium from the field-collected agricultural soil for larvicidal activity and promising bacterial metabolites for human healthcare. Methods and results: Field-collected soil samples from the Union territory of Puducherry, India, have been used as the source of bacteria. Isolate VCRC B655 belonging to the genus Lysinibacillus was identified by 16S rRNA gene sequencing and exhibited promising larvicidal activity against different mosquito species, including Culex (Cx.) quinquefasciatus, Anopheles (An.) stephensi, and Aedes (Ae.) aegypti. The lethal concentration (LC) of Lysinibacillus sp. VCRCB655 was observed to be high for Cx. quiquefasciatus: LC50 at 0.047 mg/l, LC90 at 0.086 mg/l, followed by An. stephensi and Ae. aegypti (LC50: 0.6952 mg/l and 0.795 mg/l) respectively. Additionally, metabolic profiling of the culture supernatant was carried out through Gas chromatography and Mass spectrophotometry (GC/MS) and identified 15 major secondary metabolites of different metabolic classes. Diketopiperazine (DKPs), notably pyro lo [1, 2-a] pyrazine1, 4-dione, are the abundant compounds reported for antioxidant activity, and an insecticide compound benzeneacetic acid was also identified. Conclusions: A new bacterial isolate, Lysinibacillus sp. VCRC B655 has been identified with significant larvicidal activity against mosquito larvae with no observed in non-target organisms. GC-MS analysis revealed diverse bioactive compounds with substantial biological applications. In conclusion, Lysinibacillus sp. VCRC B655 showed promise as an alternative biocontrol agent for mosquito vector control, with additional biological applications further enhancing its significance. [ABSTRACT FROM AUTHOR]

Artemisia monosperma is a plant with many traditional uses including some affecting smooth muscles. The A. momosperma essential oil (AMEO) prepared by hydrodistillation from fresh and dry aerial parts was compared qualitatively and quantitatively using GC/MS. The drying process affected the yield and composition of AMEO. The bronchodilator potential was explored using isolated guinea-pig trachea in ex-vivo organ bath setup. In the tracheal contractions induced by different spasmogens, AMEO was able to completely relax contractions induced by carbachol (CCh; 1 μM) and high K+ (80 mM) at closely related doses (p > 0.05) indicating a dual inhibition of phosphodiesterase enzyme (PDE) and voltage-mediated L-type Ca++ channels blocker (CCB) as papaverine. The current study provides scientific support to the medicinal use A. monosperma in respiratory disorders. [ABSTRACT FROM AUTHOR]

Anethum graveolens is an aromatic plant traditionally used as an antispasmodic and carminative. The objective of this study is to analyze the chemical composition of the essential oils and extracts obtained from seeds gathered in Errachidia, southern Morocco. Additionally, the antioxidant and antimicrobial properties of these oils and extracts will be evaluated. GC-MS analysis of the EO isolated by hydrodistillation revealed that its main compounds were E-anethole (38.13%), estragole (29.32%), fenchone (17.21%), and α-pinene (7.37%). The phenolic components were extracted using the methods of decoction and Soxhlet. The assay of the phenolic compounds showed that A. graveolens seeds contained considerable amounts of polyphenols, flavonoids, and condensed tannins, with variable levels depending on the extract analyzed. HPLC/UV-ESI-MS analyses performed on the decoction revealed a structural diversity of the molecules present in this extract, the most important of which were umbelliferone (12.35%), 3-hydroxyflavone (11.23%), rosmanol (8.95%), biotin (8.36%), emmotin H (4.91%), and coumarin (4.21%). The antioxidant activity, as determined by three techniques (DPPH•, FRAP, and CAT), demonstrated that the essential oils (EOs) and extracts had a potent capacity to counteract detrimental free radicals, control the generation of reactive oxygen species, and mitigate oxidative damages. The antimicrobial activity of the Eos and extracts was carried out in a liquid medium against five strains (E. cloacae, K. pneumoniae, E. coli, S. aureus, and S. epidermidis) and four candidiasis (C. albicans, C. dubliniensis, C. tropicalis, and C. parapsilosis) and Aspergillus niger. The results showed the effectiveness of the EOs compared to the aqueous, ethanolic, and decoction extracts against most of the microorganisms tested. In addition, the ethanolic extract showed antifungal activity that was distinguished from that of the other extracts. The antimicrobial efficacy of the essential oils under study can primarily be attributed to the synergistic interactions among its three principal constituents (E-anethole, estragole, and fenchone). Furthermore, molecular docking and molecular dynamics simulation results reveal significant interactions and stability between the selected bioactive compounds and different target proteins involved in antimicrobial and antioxidant activities. Compounds like 3-hydroxyflavone, emmotin H, trans-caftaric acid, methyl rosmarinate, 1-caffeoyl-beta-D-glucose, and kaempferol exhibited better binding energies with the explored proteins, indicating their potential as antimicrobial and antioxidant agents. Finally, our findings emphasize the significance of A. graveolens seeds as a promising reservoir of advantageous health compounds that can serve as organic substitutes for the presently employed synthetic preservatives. [ABSTRACT FROM AUTHOR]

A complete and comprehensive chemical and biological study of Drimys granadensis, a native Ecuadorian aromatic plant, was conducted. By conventional steam distillation from dried leaves, a yellowish, translucent essential oil (EO) with a density of 0.95 and a refractive index of 1.5090 was obtained. The EO was analyzed by gas chromatography coupled to a mass spectrometer (GC/MS) and an FID detector (GC/FID), respectively. Enantiomeric distribution was also carried out by GC/MS using a chiral selective column (diethyl tert-butylsilyl-BETA-cyclodextrin). The microdilution broth method was employed to assess the antibacterial and antifungal activity of the EO against a panel of opportunistic microorganisms. Antioxidant capacity was measured using diphenyl picryl hydrazyl (DPPH) and azino-bis 3-ethylbenzothiazoline-6-sulfonic acid (ABTS) radicals. Finally, the inhibitory potential of the EO against acetylcholinesterase was also valued. Sixty-four chemical compounds, constituting 93.27% of the total composition, were identified, with major components including γ-muurolene (10.63%), spathulenol (10.13%), sabinene (5.52%), and δ-cadinene (4.22%). The characteristic taxonomic marker of the Drimys genus, Drimenol, was detected at very low percentages (<2%). Two pairs of enantiomers ((1S,5R)-(+)-α-pinene/(1S,5S)-(–)-α-pinene; (1S,5R)-(+)-β-pinene/(1S,5S)-(–)-β-pinene) and one pure enantiomer (1R,4S)-(–)-camphene were identified. Regarding antimicrobial potency, the EO exhibited a significant moderate effect on Listeria monocytogenes with a minimal inhibitory concentration (MIC) value of 250 µg/mL, while with the remaining microorganisms, it exerted less potency, ranging from 500 to 2000 µg/mL. The EO displayed moderate effects against the ABTS radical with a half scavenging capacity of 210.48 µg/mL and no effect against the DPPH radical. The most notable effect was noticed for acetylcholinesterase, with a half inhibition concentration (IC50) of 63.88 ± 1.03 µg/mL. These antiradical and anticholinesterase effects hint at potential pharmacological applications in Alzheimer's disease treatment, although the presence of safrole, albeit in low content (ca. 2%), could limit this opportunity. Further in vivo studies are necessary to fully understand their potential applications. [ABSTRACT FROM AUTHOR]

Purpose: Τhe aim of the present study was to investigate the use of vitreous humor as an alternative biological material in forensic toxicology for the determination of quetiapine, 7-hydroxy-quetiapine, and nor-quetiapine. The distribution of these substances in vitreous humor was studied by determining and correlating their concentrations in vitreous humor with the respective concentrations in blood. Methods: During this study, a method for the determination of these substances was developed, validated and applied to postmortem samples obtained from 16 relative forensic cases. The sample preparation procedure included the isolation of the analytes from vitreous humor and blood samples using solid-phase extraction, with Bond Elut LRC C18 columns followed by derivatization with BSTFA with 1% TMCS prior to GC/MS analysis. Results: The developed method is characterized by a dynamic range of 10.0–1000.0 ng/mL (R2 ≥ 0.991) for the three substances, with a limit of detection and quantification of 3.0 and 10.0 ng/mL, respectively. Accuracy and precision were below 8.09% and 8.99%, respectively, for both biological materials, while absolute recovery for the three substances was greater than 81%. According to the results, quetiapine, 7-hydroxy-quetiapine, and nor-quetiapine are easily distributed in vitreous humor. Conclusion: The results of the study indicate the usefulness of vitreous humor in toxicological analysis for the determination of these substances, especially when the traditional biological materials are not available. The levels of quetiapine and its metabolites in vitreous humor as well as the vitreous humor to blood concentration ratios can provide important information for a more thorough toxicological investigation of forensic cases. [ABSTRACT FROM AUTHOR]

In this study, we investigated the factors involved in the flavor discrepancy between Norin61 and Satonosora wheat cultivars by analyzing the isozyme composition of lipoxygenase (LOX) and antioxidant levels. The results revealed that Norin61 exhibited a distinctive LOX isozyme composition, with a significant proportion of LOX-3, which correlates with its previously reported high LOX activity. Moreover, our analysis indicated that the content of lutein, an antioxidant present in flour, influences the formation of volatile flavor compounds. These results not only offer valuable insights for crafting products with specific flavors in the development of various wheat flour-based products, but also have potential genetic implications in the breeding of wheat cultivars boasting diverse flavors in the future. [ABSTRACT FROM AUTHOR]

AbstractWalnut oil was extracted using three different eco-friendly extraction methods, solvent extraction (using ethyl acetate [EA] and ethanol [ET]), aqueous enzymatic extraction (AEE), and ultrasound-assisted enzymatic extraction (UAEE), and their lipid yield, lipid composition, physicochemical analysis, mineral composition, total phenols, antioxidant capacity, and antimicrobial activity were analyzed and compared. The AEE technique offered a greater yield (50.6%) than the other extraction methods and gave comparatively higher linoleic acid (66.12%) content. Palmitic, oleic, linoleic, linolenic, and stearic acids were the principal components that GC/MS detected in all the oil samples. UAEE produced the most polyphenols (0.49 mgGAE/g), followed by AEE (0.46 mgGAE/g), EA (0.45 mgGAE/g), and ET (0.35 mgGAE/g). The DPPH assay results were in the order of UAEE (191 μmolTE/kg) > AEE (186 μmolTE/kg) > EA (153 μmolTE/kg) > ET (130 μmolTE/kg). The FRAP assay findings showed a similar pattern: UAEE (112 molTE/kg) > AEE (102 molTE/kg) > EA (96 molTE/kg) > ET (82 molTE/kg). Results suggested that for a higher extraction yield, AEE is the better technique and UAEE is the recommended method for enhancing walnut oil antioxidant capacity. Additionally, it was found that polyphenols considerably increased the antioxidant capacity of walnut oil and are thought to be health-promoting. The results demonstrated the antibacterial effectiveness of the extracted oil against Bacillus subtilis, Bacillus licheniformis, and Staphylococcus aureus. This study provides information about low-cost and ecofriendly technologies of walnut oil extraction for food, cosmetic, and medical uses. [ABSTRACT FROM AUTHOR]

GC/MS analysis of Murraya koenigii (L.) Spreng. and Murraya paniculata (L.) Jacq. leaves revealed the identification of 73 components, with an evident greater contribution of monoterpenes hydrocarbons to their total volatiles. α-Pinene (37.5%) and β-caryophyllene (27.4%) were the most abundant compounds in M. koenigii leaves and β-phellandrene (40.7%) in M. paniculata leaves, using headspace. β-Phellandrene (33.7%) was the major constituent by M. koenigii leaves where germacrene D (23.8%), and δ-elemene (22.0%) were predominant in M. paniculata leaves, using steam distillation. M. koenigii leaves oil showed quite remarkable cholinesterase inhibitory activity, where oil of M. paniculata leaves showed strong inhibitory activity against AChE (IC50=13.2 ± 0.9 µg/mL) and BChE (IC50=5.1 ± 0.3 µg/mL). Germacrene D, α-zingiberene, and δ-elemene showed higher affinity to BChE than AChE as revealed from docking scores (S = −5.65 to −6.03 Kcal/mol) for BChE and (S = −5.56 to −6.25 Kcal/mol) for AChE. [ABSTRACT FROM AUTHOR]

Citrus aurantium L. hydrosol extracted by steam distillation from its flowers is a highly consumed herbal product in the Iranian traditional market, widely used as a food flavour and therapeutic food and drinks. This study investigated ten commercial hydrosol samples of C. aurantium flowers produced by conventional industrial processes, as well as a laboratory-prepared control sample. A liquid-liquid extraction method and sonication were used to extract essential oils from commercial hydrosols. Samples were then subjected to GC/MS analysis. ATR-IR spectroscopy was another efficient tool used to analyze hydrosol samples. All HPTLC chromatograms exhibited a close resemblance between samples and controls. The cluster analysis was used to compare the results of GC/MS and IR screening. In the HCA dendrograms derived from the GC/MS data, most of the oil sample profiles were found to be very similar to those of the control. Linalool was the most abundant compound in eight samples and the control. α-Terpineol in all hydrosol samples and geraniol in control and five other samples were the marker compounds. Ethyl disul- fide, dillapiol, and hotrienol were detected in two samples that have not been reported in previous studies and might have resulted from the addition of other herbal hydrosols. Microbial content and pH values were within permissible limits in all samples, making them safe for oral consumption. [ABSTRACT FROM AUTHOR]

Since ancient times, humans have been utilizing various plants for medicinal purposes, a practice that has persisted from early civilizations to the present day. Plants serve as rich sources of biomolecules, although many of their contents remain unidentified. Bryophytes are considered important reservoirs for new natural products, with mosses being less explored compared to liverworts despite their broader species diversity. This study contains the content analysis of ethanol, methanol, and n-hexane extracts of Calliergonella cuspidata to predict and compare their biochemical compound profiles. The ethanol extract revealed the presence of 3-Formyl-N-methyl-9-[phenylethynyl]dibenzo2,3-a:5,6-a'-thiazine and Eicosane, while Beta- Elemene and Neophytadiene were identified in the methanol extract, and predominantly alkanes were found in the n-hexane extract. Subsequently, antioxidant activity was determined using the DPPH method with the ethanol extract, yielding an EC50 value of 1.0237 mg/ml. [ABSTRACT FROM AUTHOR]

The quality stability of tobacco flavor was comprehensively evaluated using a P&T-GC/ MS fingerprinting method, which involved the integration of the angle-cosine similarity, peak matching, and multivariate T2 control charts. The findings suggested the following: The optimal pretreatment conditions for purge trapping involve a purge time of 14 minutes, a purge temperature of 40 °C, and a desorption temperature of 200 °C. Under this condition, the RSD of the characteristic peaks of the volatile components ranged from 1. 36% to 6. 98%, which indicated that the precision of the method was good. Fingerprint mapping combined with angle-cosine similarity and peak matching analysis could quickly identify tobacco flavor samples with changes in chemical components and effectively monitor the quality stability of tobacco flavor; combined with peak matching and multivariate T2 quality control charts, problems such as mismixing of samples and changes in substance content could be detected in time and the quality stability of tobacco flavor could be effectively monitored. This could help to further analyze the causes of changes in chemical components. [ABSTRACT FROM AUTHOR]

• Syzygium aromaticum extract inhibits the growth of Fusarium oxysporum f.sp. lycopersici. • The chloroform fraction is more effective as compared to synthetic fungicides. • Molecular docking showed that the metabolic factors of F. oxysporum were inhibited in response to clove phytoconstituents. The antifungal potential of the extract of cloves (Syzygium aromaticum) was investigated in this study. The crude extracts of cloves and n -hexane, chloroform and n -butanol fractions were prepared. The antifungal activity of obtained fractions was studied at various concentrations ranging from 1.5 to 200.00 µg/mL. Thiophanate methyl (TM) was used as +ve control in this study. The fractions including methanolic, n -hexane, n -butanol, and chloroform significantly inhibited the growth of Fusarium oxysporum f.sp. lycopersici (FOL) ranging from 93.8 to 100 % when used at 200 µg/mL. The chloroform fraction showed 6.25 µg/mL MIC as compared to TM with 64 µg/mL MIC. GC/MS analysis showed that the chloroform fraction contained Eugenol, Phenol, 2,2′-methylenebis[6-(1,1-dimethylethyl)-4-methyl, 2,4-Di‑tert-butylphenol, n-Hexadecanoic acid, Phenol, and 2‑methoxy-4-(2-propenyl)- acetate. The findings of in-vitro antifungal analysis were further supported by molecular docking studies. Two virulence proteins of FOL i.e., global transcription regulator (SGE1) and DNA binding transcription factor (STE12) were docked with identified phytocompounds in the chloroform fraction by GC/MS analysis. Both of the receptors showed maximum binding affinities with 2-[2-(4-Phenyl-piperidin-1-yl)-ethyl]-isoindole-1,3‑dione (PED) (-12.054 kcal/mol) and 3,5-di‑tert-Butyl-4-hydroxyphenylpropionic acid (BHP) (-13.327 kcal/mol) respectively with strong hydrophilic/phobic interactions with active pocket residues. In conclusion, the chloroform fraction of S. aromaticum can be used to manage FOL. [ABSTRACT FROM AUTHOR]

The use of benzodiazepines is strongly associated with an increased risk of traffic accidents due to their side effects of sedation and drowsiness, which can significantly impair driving performance. The main aim of our study was to investigate the trend of benzodiazepine use over nine years (2015–2023) in a population of 15,988 subjects who had their license suspended for driving under the influence (DUI) of alcohol or drugs. Among the 15,988 users accessed to our laboratory, 924 tested positive for at least one benzodiazepine. An increase in the number of positive-testing users was observed in the period 2015–2018, followed by a slight decrease in 2019. Overall, the trend of benzodiazepine use was stable over the next four years (2020–2023), with the highest incidence in 2022. The most common benzodiazepines, and/or metabolites, found in urine samples were α-OH-alprazolam (28.66%; n = 366) and oxazepam (27.25%; n = 348). Several cases of mixed positivity were observed in the study population. The main substances taken with benzodiazepines were cocaine and Δ9-tetrahydrocannabinol. Our findings suggest that people taking benzodiazepines should be monitored, as these have a relevant impact on driving ability in addition to significant interindividual differences in the behavioral effects of benzodiazepines on driving performance. [ABSTRACT FROM AUTHOR]

Carbapenem antibiotic resistance is an emerging medical concern. Bacteria that possess the Klebsiella pneumoniae carbapenemase (KPC) protein, an enzyme that catalyzes the degradation of carbapenem antibiotics, have exhibited remarkable resistance to traditional and even modern therapeutic approaches. This study aimed to identify potential natural drug candidates sourced from the leaves of Artemisia judaica (A. judaica). The phytoconstituents present in A. judaica dried leaves were extracted using ethanol 80%. A reasonable amount of the extract was used to identify these phytochemicals via gas chromatography/mass spectrometry (GC/MS). One hundred twenty-two bioactive compounds from A. judaica were identified and subjected to docking analysis against the target bacterial protein. Four compounds (PubChem CID: 6917974, 159099, 628694, and 482788) were selected based on favorable docking scores (−9, −7.8, −7.7, and −7.5 kcal/mol). This computational investigation highlights the potential of these four compounds as promising antibacterial candidates against the specific KPC protein. Additionally, in vitro antibacterial assays using A. judaica extracts were conducted. The minimum inhibitory concentration (MIC) against the bacterium K. pneumonia was 125 μg/mL. Well–disk diffusion tests exhibited inhibition zones ranging from 10.3 ± 0.5 mm to 17 ± 0.5 mm at different concentrations, and time–kill kinetics at 12 h indicated effective inhibition of bacterial growth by A. judaica leaf extracts. Our findings have revealed the pharmaceutical potential of Artemisia judaica as a natural source for drug candidates against carbapenem-resistant pathogens. [ABSTRACT FROM AUTHOR]

Tanacetum vulgare is a perennial plant growing wild along roadsides, pastures, and agricultural fields. Its prevalence is due to several factors: good climatic adaptability, high self-seeding potential, phenotypic plasticity, multiplying via underground rhizomes and its allelochemicals, which influence the seed germination, root development and the overall vegetation of the surrounding plants. The phytochemistry of tansy extracts and their allelopathic activity on the seed germination and growth of garden pepper cress (Lepidium sativum L.) and lettuce (Lactuca sativa L.) were investigated. The major volatile compounds, 1,8-cineole, camphor and borneol were determined in tansy flower extracts. The leaf extracts contained appreciable amounts of 1,8-cineole and borneol. Feruloylquinic, (di)ferulic and dehydrocaffeoyl-5-caffeoylquinic acids, acacetin, ludovicin C and tanacetin were determined both in leaf and inflorescence extracts. Root extracts contained minor quantities of some terpenoids and polyphenols. Extracts of T. vulgare's aerial parts showed strong allelopathic effects on model plants. The flower and leaf water extracts inhibited lettuce and pepper cress seed germination and growth the most. According to the fractions, the acidic solution had the strongest effect, followed by neutral and alkaline solutions. At the highest relative concentrations of 0.5 and 1.0 tansy leaf acidic fraction, lettuce seed germination and growth decreased by 89.93% (from 35.07 ± 4.79 to 3.53 ± 2.10 mm) and by 98.46% (from 35.07 ± 4.79 to 0.57 ± 0.98 mm) compared to the control, respectively. Tansy root extracts showed weak effects. Our results demonstrated that the allelopathic inhibitory potential of tansy extracts was higher on garden pepper cress than on lettuce. The presence of allelochemicals in T. vulgare may have a significant impact on plant communities and ecosystems. [ABSTRACT FROM AUTHOR]

This research investigated volatiles and odor active compounds in Osmanthus fragrans var. aurantiacus. Heterocyclics were mainly extracted from hexane and dichloromethane extracts. Ketones were mainly detected from butanol fraction, and alcohols were mainly extracted from the ethanol fraction. GC-O analysis investigated the contents and intensities of three major odor active compounds increasing by ramping up polarity Multivariate analysis, which includes principal component analysis (PCA) and hierarchical cluster analysis (HCA), by E-nose data showed 45.83% (PC1) and 29.27 (PC2) variances, respectively, and segregated two clusters. Multivariate analysis by GC-O data showed 65.64% (PC1) and 24.17% (PC2) variances, respectively, and segregated the three clusters, cluster I by ethanol extract, cluster II by dichloromethane extract, and cluster III by hexane and butanol extracts. This study demonstrates that diferent polarity solvents can collect various volatiles and odor active compound groups. Our fndings can support basic research data as a natural and functional food additive. [ABSTRACT FROM AUTHOR]

New essential oils (EOs) extracted from different parts of two Luvunga species (L. scandens and L. hongiaoensis) from Vietnam were investigated for their chemical composition, anti-inflammatory and cytotoxic activity. Sixty-nine total compounds were identified in the EOs by GC/MS. The major constituent of the leaf, fruit, and root EOs from L. scandens was β-caryophyllene (71.5%, 63.0%, and 31.5% respectively). The main compounds in L. hongiaoensis EOs were β-elemene (34.3% in leaf oil) and caryophyllene oxide (21.2% in root oil, 19.4% in stem oil). The EO from L. scandens fruits significantly inhibited nitric oxide production on LPS-induced RAW264.7 cells (IC50 = 37.95 ± 2.76 µg/mL). The EOs from L. hongiaoensis roots and L. scandens leaves and fruits exhibited cytotoxic activity against MCF-7, SK-LU-1, and HepG2 (IC50 from 49.74 ± 3.36 to 97.82 ± 8.61 µg/mL). This is the first report on L. hongiaoensis EOs and significantly complements the composition and bioactivity of L. scandens EOs. [ABSTRACT FROM AUTHOR]

Applying elicitors in plants growing under natural conditions change the metabolic content of volatile compounds extracted from their tissues. Here, we have investigated how abiotic elicitors influence the volatile composition of the ethyl acetate extract of Anacardium othonianum seedlings propagated in vitro and ex-vitro cultures. Abiotic factors such as salicylic acid, silver nitrate, light quality, and cultivation mode affected the composition of volatile compounds in ethyl acetate extract of A. othonianum leaves seedlings. GC/MS analysis demonstrated that α-tocopherol was the main metabolite in cultures added with chemical elicitors, reaching 22.48 ± 4.06% in the case of 30 µM salicylic acid. Higher concentrations of salicylic acid decreased the amount of α-tocopherol. The addition of AgNO3 had a linear effect on α-tocopherol. Thus, the production of this metabolite indicates that salicylic acid and AgNO3 elicitors positively affect α-tocopherol production at specific concentrations helping to understand how plant culture can be better manipulated. [ABSTRACT FROM AUTHOR]

We assessed the efficacy of ozonation as an indoor remediation strategy by evaluating how a carpet serves as a sink and long-term source of thirdhand tobacco smoke (THS) while protecting contaminants absorbed in deep reservoirs by scavenging ozone. Specimens from unused carpet that was exposed to smoke in the lab ("fresh THS") and contaminated carpets retrieved from smokers' homes ("aged THS") were treated with 1000 ppb ozone in bench-scale tests. Nicotine was partially removed from fresh THS specimens by volatilization and oxidation, but it was not significantly eliminated from aged THS samples. By contrast, most of the 24 polycyclic aromatic hydrocarbons detected in both samples were partially removed by ozone. One of the home-aged carpets was installed in an 18 m3 room-sized chamber, where its nicotine emission rate was 950 ng day-1 m-2. In a typical home, such daily emissions could amount to a non-negligible fraction of the nicotine released by smoking one cigarette. The operation of a commercial ozone generator for a total duration of 156 min, reaching concentrations up to 10,000 ppb, did not significantly reduce the carpet nicotine loading (26-122 mg m-2). Ozone reacted primarily with carpet fibers, rather than with THS, leading to short-term emissions of aldehydes and aerosol particles. Hence, by being absorbed deeply into carpet fibers, THS constituents can be partially shielded from ozonation.

To study the variability of the gathering locality and componen t composition of essential oil from the aerial part of a little‐studied species – Artemisia salsoloides Willd. depending on abiotic environmental factors, such as height above the level of the place of growth. Aerial parts of A. salsoloides were collected during the flowering phase in four Dagestan natural populations to obtain essential oil using the Clevenger method. To determine the component composition of the samples obtained of essential oils of A. salsoloides, chromatography‐mass spectrometric analysis was used. The components were identified using the NIST08 and FFNSC mass spectral libraries. In total, 55 compounds were identified in the essential oil samples, where monoterpenoids account for 59.92 % – 75.98 % and sesquiterpenoids – for 23.24 % to 37.81 %. At the same time, 15 major compounds were identified. Thus, it should be noted that there was found to be a wide range of values for monoterpenoids: β‐pinene, trans‐β‐ocimene, cis‐alloocimene, benzene, 2,4‐pentadinyl, and among sesquiterpenoids – α‐copaene, β‐sesquiphilandrene, spathulenol. The quantitative yield of essential oil in the studied samples varied from 0.68 % to 1.36 % of airdried raw materials, depending on the growth location of the species. Four separate populations of A. salsoloides were identified by means of cluster analysis based on the component composition of the studied essential oils. For the first time, the composition of the essential oil of the aerial part of wild Dagestan samples of A. salsoloides was studied as depending on an abiotic factor (height above sea level) of the environment. The results obtained of the component composition of the essential oil of A. salsoloides samples showed the presence of a number of valuable compounds, which allow the use of essential oils as their sources.

Abstract Background Teucrium Leucocladum Boiss. (TL) (family Lamiaceae), indigenous to Sinai, Egypt, and Mediterranean region, is considered a rich source of essential oils (EOs). This study aimed to extract the aerial parts essential oils utilizing hydro-distillation (HD) and microwave-assisted extraction (MAE), and analyze the volatile constituents by Gas Chromatography–Mass Spectrometry (GC/MS). The antifungal and cytotoxic potentials against Candida albicans (C. albicans) and non-small cell lung adenocarcinoma A549, triple-negative breast cancer MDA-MB-231 cell lines, respectively, were likewise estimated. Subsequently, the three main compounds were docked into the crystal structure of Candida albicans N-myristoyltransferase (NMT) with myristoyl-COA and peptidic inhibitor (PDB 1IYK), and predictions of human absorption, distribution, metabolism, and excretion (ADME) were performed to assess the drug-likeness of the compounds. Results The chemical profile consisted of monoterpene hydrocarbons, oxygenated monoterpenes, sesquiterpene hydrocarbons, and oxygenated sesquiterpenes. The MAE oil sample (TLM) yield was found to be double that of the HD oil sample (TLH). TLM afforded an inhibitory diameter (13 mm) comparable to the ketoconazole (20 mm), TLM 100 mg/mL showed the strongest antifungal potential against C. albicans. The cytotoxic assay revealed moderate activity against A549 and MDA-MB-231. In silico studies using molecular docking were processed on the major components in which nerolidol had the best-fitting energy to inhibit C. albicans (− 7.21 kcal/mol), while ADME results established a promising first step for the potential drug bioavailability. Conclusion In this research, essential oil acquired from the aerial parts proved to contain monoterpenes and sesquiterpenes, which are classes of compounds known for their versatile usage in medicine. In vivo studies on Teucrium Leucocladum Boiss. active metabolites against clinical strains of fungi need to be further studied, as do the effects of combining the active compounds with antifungal agents to combat antimicrobial resistance.

Springtails use unique compounds for their outermost epicuticular wax layer, often of terpenoid origin. We report here the structure and synthesis of socialane, the major cuticular constituent of the Collembola Hypogastrura socialis. Socialane is also the first regular nonaprenyl terpene with a cyclic head group. The saturated side chain has seven stereogenic centers, making the determination of the configuration difficult. We describe here the identification of socialane and a synthetic approach using the building blocks farnesol and phytol, enantioselective hydrogenation, and α‐alkylation of sulfones for the synthesis of various stereoisomers. NMR experiments showed the presence of an anti‐configuration of the methyl groups closest to the benzene ring and that the other methyl groups of the polyprenyl side‐chain are not uniformly configured. Furthermore, socialane is structurally different from [6+2]‐terpene viaticene of the closely related H. viatica, showing species specificity of the epicuticular lipids of this genus and hinting at a possible role of surface lipids in the communication of these gregarious arthropods. [ABSTRACT FROM AUTHOR]

In this investigation, the chemical composition of the hydro-distilled essential oil (HD-EO), obtained from the fresh aerial parts (inflorescence heads (Inf), leaves (L), and stems (St)) of Conyza canadensis growing wild in Jordan was determined by GC/MS. Additionally, the methanolic extract obtained from the whole aerial parts of C. canadensis (CCM) was examined for its total phenolic content (TPC), total flavonoids content (TFC), DPPH radical scavenging activity, iron chelating activity and was then analyzed with LC-MS/MS for the presence of certain selected phenolic compounds and flavonoids. The GC/MS analysis of CCHD-EOs obtained from the different aerial parts revealed the presence of (2E, 8Z)-matricaria ester as the main component, amounting to 15.4% (Inf), 60.7% (L), and 31.6% (St) of the total content. Oxygenated monoterpenes were the main class of volatile compounds detected in the Inf-CCHD-EO. However, oils obtained from the leaves and stems were rich in polyacetylene derivatives. The evaluation of the CCM extract showed a richness in phenolic content (95.59 ± 0.40 mg GAE/g extract), flavonoids contents (467.0 ± 10.5 mg QE/ g extract), moderate DPPH radical scavenging power (IC50 of 23.75 ± 0.86 µg/mL) and low iron chelating activity (IC50 = 5396.07 ± 15.05 µg/mL). The LC-MS/MS profiling of the CCM extract allowed for the detection of twenty-five phenolic compounds and flavonoids. Results revealed that the CCM extract contained high concentration levels of rosmarinic acid (1441.1 mg/kg plant), in addition to caffeic acid phenethyl ester (231.8 mg/kg plant). An antimicrobial activity assessment of the CCM extract against a set of Gram-positive and Gram-negative bacteria, in addition to two other fungal species including Candida and Cryptococcus, showed significant antibacterial activity of the extract against S. aureus with MIC value of 3.125 µg/mL. The current study is the first phytochemical screening for the essential oil and methanolic extract composition of C. canadensis growing in Jordan, its antioxidant and antimicrobial activity. [ABSTRACT FROM AUTHOR]

Saral Ö, Karaköse M. 2024. Determination of volatile oil compounds and antioxidant activities of some Cirsium taxa grown in Türkiye. Nusantara Bioscience 16: 62-67. Several Cirsium taxa are commonly used as a folk remedy or food in Anatolia and some countries. The study aims to determine the volatile oil profile and antioxidant activity of endemic Cirsium trachylepis Boiss., Cirsium echinus Hand.-Mazz., and Cirsium osseticum Petr. subsp. osseticum. The volatile oil compounds of three Cirsium species were analyzed by Gas Chromatography-Mass Spectrometry (GC-MS) using Solid Phase Microextraction (SPME). Additionally, total phenolic content was measured, and antioxidant activity capacity was determined by FRAP and DPPH• analyses in three Cirsium taxa methanolic extracts. A total of 32 (87.89%), 25 (88.69%), and 27 (80.68%) volatile compounds were identified from C. trachylepis, C. osseticum subsp. osseticum, and C. echinus, respectively. Pentadecanolide was the major volatile oil in three Cirsium species and was first reported in Cirsium taxa in this study. When the fatty acid content was examined, palmitic acid was determined as the common and main fatty acid for the three Cirsium species. A comparison of the antioxidant activity of three species showed that C. echinus had the highest antioxidant activity. The total phenolic content of C. echinus was found to be 250.84±0.46 mg GAE/100 g sample. While the FRAP value of C. echinus was 36.47±1.04 µmol Fe/g sample, the SC50 value was 1.89±0.05 mg/mL. This study may pave the way for the determination of volatile oils by SPME and the further development of research on Cirsium taxa. [ABSTRACT FROM AUTHOR]