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This investigation delves into the development of cupric oxide functionalized activated carbon fabrics (ACF@CuO) as a filter material for self-decontaminating protective clothing designed to counter chemical warfare agents (CWAs). Three variants of samples were developed by controlling functionalization levels (7.5%, 13.0%, 16.0% w/w) through optimized precursor concentrations, integrating CuO particles onto ACF surfaces. Comprehensive analysis using techniques like FTIR, BET surface area, SEM, EDX, STEM, XRD, TGA, and XPS explored the material's properties. The studies concentrated on evaluating the performance through kinetic studies of self-detoxification of CWA Sarin (GB) using developed ACF@CuO materials analyzed by Gas Chromatography-Mass Spectrometry (GC-MS). ACF@CuO with 16% w/w functionalization exhibited superior self-decontamination against GB, achieving 92.87% efficiency within 18 hours, in contrast to 26.55% for ACF alone. Additionally, materials were tested for tensile strength, air-permeability, and Sulfur Mustard breakthrough time (HDBTT) as per IS 17377:2020 standard. The material with 13% w/w functionalization emerged as the recommended filter layer for CWA protective clothing designed for defense and civilian safety applications. The significant improvements in the self-decontamination efficiency of the material were attributed to the synergistic effects of ACF's adsorption capabilities combined with the decontamination properties of CuO rod-shaped crystals embedded in the surface of ACF. [ABSTRACT FROM AUTHOR]

Ectomycorrhizal fungi in the genus Tuber form hypogeous fruiting bodies called truffles. Many Tuber species are highly prized due to their edible and aromatic ascomata. Historically, there has been attention on cultivating and selling European truffle species, but there is growing interest in cultivating, wild-harvesting, and selling species of truffles endemic to North America. North America has many endemic Tuber species that remain undescribed, including some that have favorable culinary qualities. Here, we describe two such Tuber species from eastern North America. Maximum likelihood and Bayesian phylogenetic analyses of ITS (internal transcribed spacer), tef1 (translation elongation factor 1-alpha), and rpb2 (second largest subunit of RNA polymerase II) sequences were used to place these species within a phylogenetic context. We coupled these data with morphological analyses and volatile analyses based on gas chromatography–mass spectrometry. Tuber cumberlandense, sp. nov. (previously referred to as Tuber sp. 66), is a member of the Rufum clade that has been opportunistically harvested for commercial sale from T. melanosporum orchards across eastern North America. Tuber canirevelatum, sp. nov. belongs in the Macrosporum clade and thus far is only known from eastern Tennessee, USA. Both new species were discovered with the assistance of trained truffle dogs. The volatile profiles of T. canirevelatum and T. cumberlandense were measured in order to characterize aromas based on the chemical compounds produced by these fungi. Ascomata from both species were enriched in acetone, dimethyl sulfide, 1-(methylthio)-1-propene, and 1-(methylthio)propane. In this work, we celebrate and encourage the use of trained truffle-hunting dogs for fungal biodiversity discovery and research. [ABSTRACT FROM AUTHOR]

Practical Application Unlike many commercial sweeteners for which sweetness dose‐response curves have been constructed, honey's sweetness has yet to be quantified. Honey differs from most commercial sweeteners in that it has a robust aroma; this aroma may impact its perceived sweetness. This study quantified the sweetness intensity and the impact of aroma on the perceived sweetness of four different honey varieties (clover, wildflower, alfalfa, and orange) compared to sucrose. Each sweetener evaluated was diluted to six concentrations in water ranging from 12.5 g/L to 125 g/L. Panelists (n = 55) rated the sweetness intensities with and without aroma, in replicate, on the Global Sensory Intensity Scale. Additionally, the volatile organic compounds in the honey samples were profiled using gas chromatography‐mass spectrometry (GC/MS) analysis. Honey and sugar were equivalently sweet at a given concentration (g/L), with aroma present (p = 0.251). Additionally, honey and sugar were not equivalently sweet without aroma; aroma significantly increased sweetness intensities for all sweeteners (p = 0.042) and especially honeys. In a 100 g/L solution, the aromas in honey increased its sweetness by 23%–43%, depending on the floral source. Compounds with sweet aroma characteristics were identified at high concentrations in all honey samples using GC/MS analysis, including furfural, benzaldehyde, benzene acetaldehyde, and dimethyl sulfide. Additionally, (S)‐limonene and toluene were present in high quantities in the orange and alfalfa samples. This study can inform appropriate honey usage levels and identify major volatiles that may enhance sweetness.Honey sweetness has not been determined quantitatively, despite the widespread use of honey among consumers and product formulators. Sweetness enhancement by honey aroma volatiles may support a reduction in added sugars while maintaining sweetness intensity. [ABSTRACT FROM AUTHOR]

MonoTrapTM was introduced in 2009 as a novel miniaturized configuration for sorptive sampling. The method for the characterization of volatile organic compound (VOC) emission profiles from hot mix asphalt (HMA) consisted of a two-step procedure: the analytes, initially adsorbed into the coating in no vacuum- or vacuum-assistance mode, were then analyzed following an automated thermal desorption (TD) step. We took advantage of the theoretical formulation to reach some conclusions on the relationship between the physical characteristics of the monolithic material and uptake rates. A total of 35 odor-active volatile compounds, determined by gas chromatography-mass spectrometry/olfactometry analysis, contributed as key odor compounds for HMA, consisting mainly of aldehydes, alcohols, and ketones. Chemometric analysis revealed that MonoTrapTM RGC18-TD was the better coating in terms of peak area and equilibrium time. A comparison of performance showed that Vac/no-Vac ratios increased, about an order of magnitude, as the boiling point of target analytes increased. The innovative hybrid adsorbent of silica and graphite carbon monolith technology, having a large surface area bonded with octadecylsilane, showed effective adsorption capability, especially to polar compounds. [ABSTRACT FROM AUTHOR]

In this work, a micro-solid-phase extraction technique employing polylactic acid (PLA)/ZnO-chitosan bio-nanocomposites was developed to isolate selected triazines from aqueous environments. Subsequently, the isolated analytes were injected into gas chromatography–mass spectrometry instrument following solvent desorption. The PLA bio-nanocomposites, incorporating varying concentrations of synthesized ZnO-chitosan, were fabricated utilizing the solvent casting method. The PLA/ZnO-chitosan bio-nanocomposites and ZnO-chitosan hybrid nanoparticles were analytically characterized by the use of field emission scanning electron microscopy, Fourier-transform infrared spectroscopy, tensile testing, and X-ray diffraction. Tensile tests showed that adding ZnO-chitosan hybrid nanoparticles to PLA increased both its tensile strength and elongation at break. Key parameters of the extraction process involving PLA/ZnO-chitosan bio-nanocomposites such as nanoparticle concentration, ionic strength, sample pH, extraction duration, and solvent choice were meticulously examined and optimized. The refined extraction device exhibited high sensitivity and rapidity, achieving analytical parameters with a detection limit ranging from 0.85 to 2.5 ng L−1 and a quantification limit between 5 and 10 ng L−1. Equilibrium was attained within 20 min. Over a concentration range of 10–1000 ng L–1, the method showed linearity, with a correlation value higher than 0.9997. Having a relative standard deviation between 4 and 8%, repeatability was confirmed at 100 ng L−1. Ultimately, the proposed extraction device's effectiveness was confirmed by successfully recovering specific analytes from natural water samples, with relative recovery percentages ranging from 98 to 102%, indicative of negligible matrix interference. [ABSTRACT FROM AUTHOR]

Polycystic ovary syndrome (PCOS) is a complex disorder that impacts both the endocrine and metabolic systems, often resulting in infertility, obesity, insulin resistance, and cardiovascular complications. The aim of this study is to investigate the role of intestinal flora and its metabolites, particularly short-chain fatty acids (SCFAs), in the development of PCOS, and to assess the effects of metformin therapy on these components. SCFA levels in fecal and blood samples from women with PCOS ( n = 69 ) and healthy controls ( n = 18 ) were analyzed using Gas Chromatography–Mass Spectrometry (GC/MS) for precise measurement. Fecal microbiota were quantitatively detected by real-time polymerase chain reaction (PCR). To assess the efficacy of six months of metformin treatment, changes in the microbiota and SCFAs in the PCOS group ( n = 69 ) were also evaluated. The results revealed that women with PCOS exhibited a significant reduction in beneficial bacteria (namely, the C. leptum group and Prevotella spp.) alongside a notable overgrowth of opportunistic microorganisms (C. perfringens, C. difficile, Staphylococcus spp., and Streptococcus spp.). An overproduction of acetic acid (AA, FC = 0.47 , p < 0.05 ) and valeric acid (VA, FC = 0.54 , p < 0.05 ) suggests a link between elevated SCFAs and the development of obesity and PCOS. Interestingly, AA in the bloodstream might offer a protective effect against PCOS by ameliorating key symptoms such as high body mass index ( r = − 0.33 , p = 0.02 ), insulin resistance ( r = − 0.39 , p = 0.02 ), and chronic inflammation. Although serum SCFA levels showed non-significant changes following metformin treatment ( p > 0.05 ), the normalization of AA in the gut underscores that metformin exerts a more pronounced effect locally within the gastrointestinal tract. Furthermore, the study identified the most effective model for predicting the success of metformin therapy, based on serum concentrations of butyric acid (BA) and VA, achieving a 91% accuracy rate, 100% sensitivity, and 80% specificity. These promising findings highlight the potential for developing targeted interventions and personalized treatments, ultimately improving clinical outcomes for women with PCOS. [ABSTRACT FROM AUTHOR]

Summary: Soaking of soybeans is an essential step in tempe fermentation. Owing to the uncontrolled microflora, spontaneous soaking during tempe production leads to inconsistencies in tempe quality. Common methods to control it include the addition of acids or microbial starters. Despite knowing the benefits, their impact on tempe's composition was less understood. In this study, prior to tempe fungal fermentation, soybeans were soaked with Lactiplantibacillus plantarum NBRC 101978 and Pichia burtonii NBRC 0844. Tempe samples were subjected to comprehensive analysis using a widely targeted gas chromatography–mass spectrometry (GC–MS) metabolomics approach and evaluation of physical characteristics. A total of 100 metabolites of sugars, amino acids, fatty acids, and organic acids were annotated in all samples. Principal component analysis (PCA) explaining 47.6% of the variance showed that microbial interventions led to alterations in the metabolome of all samples, including the accumulation of amino acids in lactic acid bacteria (LAB)‐soaked soybean tempe and tyramine in yeast‐soaked soybean tempe. Unlike chemically added soaked soybean tempe, microbial intervention significantly reduced the relative intensity levels of several sugars by more than twofold. Furthermore, microbial interventions in the tempe‐soaking step significantly elevated the levels of bioactive metabolites more than twofold. The introduction of microbial interventions in the tempe‐soaking step also influences the physical characteristics of the end product. These findings merit further consideration for tempe development and the food industry. [ABSTRACT FROM AUTHOR]

The culture of a cyanobacterium 'Anabaena' sp. was isolated from alluvial meadow soils in the south of Russia and deposited in the IPPAS collection of cultures of microalgae and cyanobacteria, Timiryazev Institute of Plant Physiology, Russian Academy of Sciences, under the number IPPAS B-2020. Phylogenetic analysis showed that the studied strain belongs to a clade comprising the genera Sphaerospermopsis, Amphiheterocytum, Raphidiopsis, Wollea, and Neowollea, but cannot currently be assigned to any of them. The phytotoxicity and fungicidal and antioxidant activities of the strain were studied. The culture turned out to be non-toxic. Water–alcohol extract and biomass of 'Anabaena' sp. IPPAS B-2020 completely suppressed the micromycetes Fusarium culmorum, F. graminearum, and F. sporotrichioides with the maximum diameter of growth inhibition zone of 2.5 cm. The water extract of cyanobacteria 'Anabaena' sp. IPPAS B-2020 had a pronounced antioxidant activity (39.3%). Among the metabolites of 'Anabaena' sp. IPPAS B-2020, there were organic acids (citric, lactic, acetic), terpenes, alkanes, alcohols, and other low molecular weight organic compounds. The 'Anabaena' sp. IPPAS B-2020 culture is of interest for biotechnology as a producer of such important biologically active compounds as tributyl phosphate, D-limonene, squalene, and α-pinene. [ABSTRACT FROM AUTHOR]

Introduction: Bisphenol A (BPA), an organic compound used to produce polycarbonate plastics and epoxy resins, has become a ubiquitous contaminant due to its high-volume production and constant release to the environment. Plant metabolomics can trace the stress effects induced by environmental contaminants to the variation of specific metabolites, making it an alternative way to study pollutants toxicity to plants. Nevertheless, there is an important knowledge gap in metabolomics applications in this area. Objective: Evaluate the influence of BPA in French lettuce (Lactuca Sativa L. var capitata) leaves metabolic profile by gas chromatography coupled to mass spectrometry (GC–MS) using a hydroponic system. Methods: Lettuces were cultivated in the laboratory to minimize biological variation and were analyzed 55 days after sowing (considered the plant’s adult stage). Hexanoic and methanolic extracts with and without derivatization were prepared for each sample and analyzed by GC–MS. Results: The highest number of metabolites was obtained from the hexanoic extract, followed by the derivatized methanolic extract. Although no physical differences were observed between control and contaminated lettuce leaves, the multivariate analysis determined a statistically significant difference between their metabolic profiles. Pathway analysis of the most affected metabolites showed that galactose metabolism, starch and fructose metabolism and steroid biosynthesis were significantly affected by BPA exposure. Conclusions: The preparation of different extracts from the same sample permitted the determination of metabolites with different physicochemical properties. BPA alters the leaves energy and membrane metabolism, plant growth could be affected at higher concentrations and exposition times. [ABSTRACT FROM AUTHOR]

Carvone, a natural monoterpene, has been identified in various plants, giving them a characteristic scent. Enantiomers (R-(–) and S-(+)) reveal specific biological activities that are successfully used in traditional medicine for their antifungal, antibacterial, antiparasitic, and anti-influenza properties. The presented paper is based on S-(+)-carvone, characterized by a specific caraway scent, which revealed rich biological activities both in vitro and in vivo. Thus, the aim of the study was to evaluate the potential anti-neurodegenerative activity of S-(+)-carvone, including in vitro experiments (butyrylcholinesterase inhibitory, neuro- and hepatotoxicity as well as neuro- and hepatoprotective activity), in vivo (memory acquisition, locomotor activity), and ex vivo (determination of S-(+)-carvone's level in tissues collected from mice). Results revealed the multidirectional character of S-(+)-carvone. It has been shown that S-(+)-carvone is capable of butyrylcholinesterase inhibition (40% for 0.025 mg applied onto the plate), and neuroprotection and hepatoprotection at selective concentrations against reactive oxygen species generation and lipid peroxidation along with non-hepatotoxicity character. Additionally, multiple-dose administration of the monoterpene at a dose of 100 mg/kg had a positive influence on memory acquisition. Gas chromatography–mass spectrometry analysis of the plasma and the brain showed that S-(+)-carvone can cross the blood–brain barrier and accumulate in the hippocampus (0.217 µg/mg of tissue), a crucial part of the brain associated with cognition and mental functions. [ABSTRACT FROM AUTHOR]

Background and Aim: Cryptosporidiosis is a major waterborne disease affecting ruminants and humans worldwide. It causes diarrhea and neonatal mortality in buffalo calves, and watery diarrhea and mortality in children and immunodeficient patients. This study aimed to investigate the efficacy of Myristica fragrans methanolic extract in treatment of C. parvum infection in comparison with nitazoxanide (NZX) (a Food and Drug Administration-approved drug control) in immunosuppressed and immunocompetent mice. Materials and Methods: One hundred laboratory-bred male Swiss albino mice were equally divided into immunocompetent and immunosuppressed groups. Each group was further divided into five subgroups: (1) non-infected and non-treated control, (2) infected and non-treated control (infected with Cryptosporidium parvum oocysts 3 × 10³ ), (3) NZX-treated (100 mg/kg, 200 µL/mouse), (4) M. fragrans Houtt. methanol extract-treated (500 mg/kg), and (5) combination-treated (NZX + M. fragrans extract). Number of oocysts/g of feces, serum immunoglobulin (Ig) G level, and interferon (IFN)-γ, and interleukin (IL)-4 levels were used to evaluate the therapeutic effect. Results: C. parvum oocyst shedding in stool samples was significantly decreased in all treatment groups, with 79.7%, 81.2 %, and 85.5 % reduction in immunocompetent mice treated with NZX, M. fragrans, and their combination, respectively. In immunosuppressed mice, oocyst shedding was reduced by 77.7%, 80.5 %, and 83.7 % upon NZX, M. fragrans, and their combination treatments, respectively. The serum IgG level was lowest in mice treated with a mixture of M. fragrans and NZX, followed by those treated with NZX, and was highest in mice treated with M. fragrans alone. Regarding cytokine levels, all groups treated with M. fragrans had low levels of IFN-γ and IL4 on day 21 post-infection. Conclusion: Collectively, the treatment of cryptosporidiosis with M. fragrans extract was successful in mice, as demonstrated by the measured parameters. M. fragrans reduced C. parvum oocyst shedding and serum IgG, IFN-γ, and IL-4 levels in immunocompetent and immunosuppressed mice. [ABSTRACT FROM AUTHOR]

Grafting is a traditional research and crop production technique used to study the long-distance movement of molecules, reduce disease susceptibility, and improve yield, quality, and nutrient content. Tomato/potato grafts are rare examples of successful interspecies grafting, even resulting in commercially available products. Nevertheless, information on the effect of tomato on the quality parameters of potato tubers is scarce. In this study, the tomato cultivar 'Mobil' was grafted with the potato cultivars 'White Lady', 'Hópehely', and 'Désirée', and the phenotype, metabolite composition, and starch and protein contents of the tubers were analysed. Anthocyanins were isolated from the tuber skins, and the expression level of the transcription factor ANTHOCYANIN1 (StAN1) was evaluated. Out of the 112 identified metabolites, the concentrations of twelve compounds were altered in the same direction in all three cultivars. Compared to the self-grafted control, the starch content of tubers was increased in each cultivar, while the protein level remained unaltered in 'White Lady' and 'Hópehely'. The oval tubers became roundish. The tomato scion increased the anthocyanin content of 'Hópehely' and 'Désirée' tuber skins, which was correlated with the upregulation of StAN1 expression. These results indicate that tomato scion has a significant impact on the quality parameters of potato tubers. [ABSTRACT FROM AUTHOR]

Introduction: Ethion is an organophosphate used as an acaricide and insecticide, that is restricted worldwide. In Colombia, pesticide poisoning is the third most common cause of chemical intoxication. On 9 October 2022, an outbreak of ethion poisoning occurred in Pereira. The aim of this study was to describe the clinical and epidemiological characteristics of the outbreak. Methods: This is a descriptive study of an outbreak of organophosphate poisoning. The onset of symptoms occurred on 9 October 2022, following the consumption of empanadas. Information was collected on sociodemographic characteristics and clinical manifestations, as well as from paraclinical examinations. Data were obtained from clinical histories, field epidemiological investigations, and inspection visits. Food samples were collected for analysis by gas chromatography-mass spectrometry. Attack rates, proportions, and measures of central tendency, dispersion, and position were calculated. Results: The case definition was met by 37 individuals with a median age of 30 years; all presented with muscarinic symptoms, 29 patients presented with nicotinic symptoms, and 20 patients presented with neurological symptoms. Males were the most affected (57%), and the most common time of symptom onset was 10:00 am. Twenty-three patients (62%) required intensive care unit admission, of whom 14 (38%) required mechanical ventilation. No deaths were reported. Erythrocyte acetylcholinesterase activity was reduced in all patients. Ethion was detected in mass-prepared maize and empanadas at concentrations greater than 0.1 mg/kg. The consumption of empanadas was identified as the common source. Discussion: In Colombia, pesticide poisonings are the third most common type of poisoning caused by chemical substances reported to the National Health Institute through the National Public Health Surveillance System. In the present outbreak, ethion was in empanadas, likely due to contamination of cooking oil. Conclusions: We describe a large ethion-contaminated food poisoning outbreak reported in Colombia. The main symptoms were muscarinic, and the main treatment measures employed were atropine and respiratory support. Increased awareness of pesticide poisoning and training for food handlers are needed. [ABSTRACT FROM AUTHOR]

Methyltrimethoxysilane (MTMS) modified tin dioxide microspheres (MTMS/SnO2) were prepared by a facile hydrothermal method and heated reflux reaction strategy. The characterization results indicate that the modification of MTMS induced the formation of a hydrophobic network within the composites, while maintaining abundant adsorbed oxygen species. Subsequently, the MTMS/SnO2 microspheres were used as a solid-phase microextraction (SPME) coating for the efficient extraction and sensitive determination of trace polychlorinated biphenyls (PCBs) in aqueous solutions coupled to gas chromatography-mass spectrometry. MTMS/SnO2 coating exhibited superior extraction performances for PCBs compared with commercial SPME and pure SnO2 microspheres coatings, owing to the hydrophobic crosslinking and adsorbed oxygen-enhanced hydrogen bonding. The proposed analytical method presented respectable linearity in the concentration range 0.25–1000 ng L−1, with low limits of detection varying from 0.036 to 0.14 ng L−1 for seven PCBs and excellent precision, with relative standard deviations of 5.7–9.8% for a single fiber and 8.2–13.1% for five fibers. Finally, the proposed method was successfully used for determination of PCBs in real water with recoveries ranging from 75.8 to 115.6%. This study proposed a new type SPME coating of MTMS/SnO2 microspheres, which extended the potential of SnO2 in capturing and determining organic pollutants. [ABSTRACT FROM AUTHOR]

A rapid method is developed for the determination of bisphenol A (BPA) in ethanolic extracts by gas chromatography–mass spectrometry (GC–MS). The GC–MS method has acquired reference status in accredited analytical laboratories in identifying contaminant impurities in food and alcohol products. Bisphenol A is used as a monomer in the production of a number of plastics and epoxy resins; in its free form, it can be contained in quantities exceeding the permissible level in food containers. Bisphenol A can accumulate in a human body and cause harmful health effects. The studies were performed on an Agilent 8890 gas chromatograph equipped with a mass selective detector model 5977B and a 30 m long Ultra ALLOY®-5 UA5-30M-0.25F capillary column. Optimal modes for the determination of bisphenol A in ethanolic extracts were selected. The direct determination of BPA in ethyl solutions without derivatization using GC–MS can be recommended for the development of procedures for monitoring the quality and safety of food packaging, monitoring BPA in alcohol-containing liquids, as well as in forensic medical examination as a reference procedure to confirm the reliability of BPA identification. [ABSTRACT FROM AUTHOR]

Summary: This study investigated the effects of reducing sugars and protein‐to‐sugar ratios on generating volatile compounds from nutritional yeast hydrolysates after Maillard reaction. Nutritional yeast extract (NYE) was cleaved using Flavourzyme® at an enzyme‐to‐substrate ratio of 0.5% w/w, followed by heat treatment with varying concentrations of reducing sugars (i.e., hexoses: glucose and fructose and pentoses: xylose and ribose). The results showed that pentoses generate higher numbers and concentrations of volatiles than hexoses, especially furans, Strecker aldehydes, and sulphur‐containing compounds such as dimethyl disulphide. However, hexoses produced higher concentrations of pyrazines. Strecker aldehydes and pyrazines served as key aroma‐active compounds in meat aroma. Likewise, sulphur‐containing compounds played an important role in meat aroma due to their low detection threshold. The results showed that reducing sugars significantly impacts the volatile profile of NYE, potentially influencing the formation of meaty aroma compounds. These findings demonstrate the potential of MRPs to enhance meaty flavours due to the presence of volatile compounds with characteristics of cooked meat. [ABSTRACT FROM AUTHOR]

The thermal stability of dibenzo-21-crown-7 (DB21C7) and its solution in 1,2-dichloroethane (DCE) after contact with nitrogen dioxide, which is a product of nitric acid degradation, was studied. It is shown that exothermic processes accompanied by the release of gaseous products are observed in inert and oxidizing atmosphere. The compounds formed after contact with nitrogen dioxide were determined by gas chromatography–mass spectrometry. Differences in gaseous products in the temperature range of 300℃ were defined for the initial crown ether and for DB21С7 and its solution in DСE after contact with NO2. [ABSTRACT FROM AUTHOR]

Background and Aims: Caffeine is a xanthine alkaloid found naturally in plants. Caffeine has cardiotonic and stimulant effects in humans and animals. For this reason, caffeine is on the monitoring list for human sports and is listed as a feed contaminant in horse racing. The aim of this study was to develop a rapid, practical, and specific method for the determination of caffeine in horse urine. Methods: In the new method, the pH of the sample was adjusted by the addition of phosphate buffer, and after solid phase extraction, it was dissolved in methanol before being analysed by gas chromatography mass spectrometry without derivatization. The method was validated according to the European Commission’s 2002/657/EC criteria. Results: The effects of different cartridge brands, pH, and elution solution were determined. Intraday and interday CV% values are 2.8 and 5.2 for the International Residue Limit (IRL), respectively. Five levels (blank, 0.5xIRL, IRL, 1.5xIRL, and 2xIRL) were used in constructing the curve, and the R2 value was greater than 0.99. The analysis run was 11.8 min. The decision limit (CCα) was determined to be 56.7 ng/mL due to IRL. The detection limit of the method was calculated to be 3.3 ng/mL. The method was determined to be robust according to changes in extraction pH, phosphate buffer concentration, centrifugation time, hexane volume in the wash step, different grades of methanol, inlet temperature, and operator. Conclusion: The applicability of the method was demonstrated by analysing positive and negative horse urine samples. Validation parameters showed the method to be selective, specific, and easy to apply. [ABSTRACT FROM AUTHOR]

• Exploring potential medicinal value from production waste of Chinese herbal medicine and realizing its resourceful utilization is an important way to enhance income and alleviate poverty. • Essential oils from the branches, leaves, flowers and fruits of finger citron were studied for composition and antioxidant activity. • Extraction rate and relative content of essential components of young leaf essential oil were high and antioxidant capacity was moderate. • Young leaves could be preferred in the late development of finger citron non-medicinal parts to develop by-products such as finger citron essential oil perfume and fragrance. The finger citron (Citrus medica L.var. sarcodactylis Swingle) is a both medicinal and edible species specified by the China Ministry of Health, It is also a regional medicinal plant grown in Chinaʼs Chongqing Municipality. We explored the utilization value of flower, leaf, and branch resources of non-medicinal sections of finger citron of Chongqing origin and identified variations in its yield, content, and antioxidant activity in essential oils in several organs. From several finger citron organs, essential oils were extracted using ultrasonic-assisted steam distillation, and their essential components were identified using gas chromatography-mass spectrometry (GC–MS). To assess antioxidant properties of various finger citron organs, DPPH free radical scavenging rate, ABTS free radical scavenging rate, and total reducing power of essential oils were determined. A total of 71 chemical components were discovered, and a cluster heat map revealed that d-limonene, Citral, (Z)-3,7-dimethylocta-2,6-dienal, γ-Terpinene, O Cymene, and Ocimene were the most significant components and that their composition and concentration in essential oils of different organs varied substantially, with the average total amount in the four major organs in descending order: branches (79.34 %), leaves (73.40 %), flowers (68.85 %), and dried fruits (55.69 %). Finger citron's non-medicinal sections and organs' essential oils exhibited some level of antioxidant activity. The maximal clearance rate of the final flower group was 19.26 % when the essential oil concentration of each group was 4.0 mg·mL−1 for the assessment of DPPH free radical scavenging activity. DPPH free radical clearance rates of the bud group, initial flower group, full flower group, final flower group, branch group, and young leaf group were significantly different from the medicinal parts dried fruits group (P < 0.05), whereas there was no significant difference in the old leaf group (P > 0.05). When the essential oil concentration of each group was 0.10 mg·mL−1 for the ABTS radical scavenging ability measurement, the bud group had the highest scavenging rate of 32.24 %, and significant differences in the ABTS radical scavenging rates of the bud group, primary flower group, full flower group, final flower group, and branch group were observed when compared to the dried fruits group (P < 0.05). Between the young leaf and old leaf groups, there was no significant difference (P > 0.05). When the essential oil concentration was 3.0 mg·mL−1 for the measurement of overall reduction capacity, the old leaf group's highest absorbance value was 0.310. and the total reduction capacity of the bud group, first flower group, complete flower group, last flower group, branch group, young leaf group, and old leaf group substantially differed from the dried fruits (P < 0.05). This study provides a reference for the formation of "green" concurrent consumption and development of medicinal and non-medicinal elements of Chinese medicinal materials as well as theoretical support for the diverse utilization of finger citron resources. [ABSTRACT FROM AUTHOR]

The list of standard abbreviations for JDS is available at adsa.org/jds-abbreviations-24. Nonstandard abbreviations are available in the Notes. Short-chain fatty acids (SCFA) content in milk may have been underestimated due to the neglect of the esterified SCFA content and the lack of an accurate detection method, especially for C1:0, C2:0, and C3:0 SCFA. In this study, an accurate GC-MS profiling method was established for 10 SCFA. A 2-step esterification, including alkaline saponification (60°C for 30 min) and acid-catalyzed esterification (80°C for 150 min) in water/isopropyl/hexane (1:2:1, volume ratio), was found to be the most suitable for the quantification of esterified and nonesterified SCFA analysis. The validation results demonstrate satisfactory linearity, sensitivity, matrix effects, precision, and accuracy. The recoveries of nonesterified and esterified SCFA ranged from 82.78% to 112.49%, respectively. Human milk is distinguished from cow milk by its higher C1:0 and C2:0 content and lower C4:0 and C6:0 content. This method successfully accomplished qualitative and quantitative estimation of all 10 SCFA in milk, including both nonesterified and esterified SCFA. Furthermore, whether our method is applicable for the determination of SCFA in serum, rumen fluid, and feces remains to be explored. [Display omitted] [ABSTRACT FROM AUTHOR]

BACKGROUND: Barley flour, known to be rich in various phytochemicals, has been demonstrated to improve the technological and nutritional properties of pasta; however, its volatile profile, on which its aromatic properties depend, also plays an important role in the acceptance of barley‐enriched pasta. In the present work, volatile organic compounds (VOCs) of semolina doughs enriched with different percentages of barley and of the related pasta were characterized by solid phase micro‐extraction (HS‐SPME) coupled to gas‐chromatography/mass spectrometry (GC–MS), and evaluated using a multivariate statistical approach, including principal component analysis (PCA), cluster heatmaps, Pearson's and Spearman's correlations, and partial least squares correlation (PLSC). RESULTS: The effects of single raw materials, and their interactions, were studied to establish their importance in the volatile profile of the samples, and the correlation between the dough VOCs and the processed product VOCs was assessed. The presence of barley flour markedly affected the volatile profile in comparison with the dough obtained with only durum wheat. For alcohols, esters, terpenes, and some aldehydes there was a clear correlation with the percentage of barley. For some of the VOCs, on the other hand, a strong dependence on the ingredients interaction effect due to the mixing stage has been demonstrated. CONCLUSION: The heatmaps allowed a good graphical visualization of the relationship between molecules and barley percentage, offering the possibility to select the best one according to the desired volatolomic footprint. Pasta with 40% of barley was demonstrated to give pasta with the most complex volatile profile. © 2024 Society of Chemical Industry. [ABSTRACT FROM AUTHOR]

Cervical cancer (CC) remains a major health concern globally, much of the brunt of which is experienced by the low- and middle-income countries where screening in terms of cytology and DNA genotyping for the high-risk oncogenic subtypes of the human papilloma virus (hr-HPV) is either inadequate or performed rather late. In this study, we aimed to determine biomarkers or panels of biomarkers that are capable of diagnosing the precancerous cervical intraepithelial neoplasia (CIN) stages from healthy and CC patients via untargeted gas chromatography–mass spectrometry-based metabolomics. Various cross-comparisons were conducted from which differential metabolites were identified. The underlying metabolic pathways based on the differential metabolites identified from the various cross-comparisons mainly related to amino acids biosynthesis and metabolism and steroid hormone biosynthesis. From all cross-comparisons, two common metabolites namely, 2-methyl-1-propylamine (also known as isobutylamine) and estrone were found to possess excellent to good diagnostic abilities, especially in distinguishing the early stages of CIN (CIN I, CIN II) from healthy women and CC patients. These findings have clinical significance in the sense that, once validated the 2-biomarker panel could be adopted in clinical practice for early diagnosis of CIN and invasive carcinoma. This would therefore inform the choice of treatment to be initiated by the clinician. [ABSTRACT FROM AUTHOR]

The object of this research is the polychlorinated biphenyls (PCBs) in sediments along Shatt Al-Arab estuary, Iraq. The study examines the problem of river PCB pollution. PCB effects on humans include cancer, impaired reproduction, neuro-developmental effects in infants, immunotoxicity and endocrine disruption. PCBs lead to liver damage and stimulate changes in the DNA sequence. The Shatt Al-Arab Estuary is formed in southern Iraq near Al-Qurna city after the confluence of the Tigris and Euphrates Rivers. The Shatt Al-Arab Estuary region is shared between Iraq and Iran. The Estuary receives pollutants when it is passing during Basrah City regions, due to industrial, agricultural and human activities which discharge the pollutants to the Estuary without treatment. The concentrations of Σ13 PCBs compound in sediment samples were determined and analyzed at each site by using gas chromatography-mass spectrometry (GC-MS, Agilent). Six sites were chosen along Shatt Al-Arab Estuary. They are Al-Qurna (S1), Al-Deer (S2), Al-Qarma (S3), Al-Ashar (S4), Abi Al-Khasib (S5) and Al-Fao (S6), at Basrah city, south of Iraq. Sediment samples were collected seasonally, starting from Autumn season on September 2019 to summer season on July 2020. The Σ13 (PCB-18, PCB-29, PCB-31, PCB-28, PCB-44, PCB-52, PCB-101, PCB-141, PCB-149, PCB-138, PCB-153, PCB-189, and PCB-194) concentrations at the sediment samples ranged from 4.48 ng/g in Al-Deer site during summer season to 27.75 ng/g in Al-Ashar site during winter season for all selected sites. The Al-Deer site were found to have the lowest mean of PCBs its 0.345 ng/g and Al-Ashar site were found to have the highest mean of PCBs its 2.135 ng/g. PCBs concentrations in sediment samples during autumn, winter, spring and summer seasons ranged from 7.75 to 21.68 ng/g, 16.25 to 27.75 ng/g, 7.28 to 22.01 ng/g and 4.48 to 14.41 ng/g, respectively. The congener distribution patterns in these samples indicate the dominance highly chlorinated congeners (tri- and hexa-PCBs) in comparison with remaining others PCBs congeners. This project is the first of its kind in Basrah and all Iraq that reports PCB concentrations in the region and is considered a baseline study and can be used for subsequent studies. [ABSTRACT FROM AUTHOR]

Angomonas deanei belongs to Trypanosomatidae family, a family of parasites that only infect insects. It hosts a bacterial endosymbiont in a mutualistic relationship, constituting an excellent model for studying organelle origin and cellular evolution. A lipidomic approach, which allows for a comprehensive analysis of all lipids in a biological system (lipidome), is a useful tool for identifying and measuring different expression patterns of lipid classes. The present study applied GC-MS and NMR techniques, coupled with principal component analysis (PCA), in order to perform a comparative lipidomic study of wild and aposymbiotic A. deanei grown in the presence or absence of FBS. Unusual contents of branched-chain iso C17:0 and C19:0-cis-9,10 and-11,12 fatty acids were identified in A. deanei cultures, and it was interesting to note that their content slightly decreased at the log phase culture, indicating that in the latter growth stages the cell must promote the remodeling of lipid synthesis in order to maintain the fluidity of the membrane. The combination of analytical techniques used in this work allowed for the detection and characterization of lipids and relevant contributors in a variety of A. deanei growth conditions. [ABSTRACT FROM AUTHOR]

Although men's attraction to women's body odour has been suggested to vary over the ovulatory cycle, peaking around the fertile window, we still lack methodologically robust evidence corroborating this effect. Further, the chemical underpinnings of male preference for the odour of ovulating women remain unknown. Here, we combined perceptual and chemical analyses to investigate the axillary odour of naturally cycling women over 10 days, covering the gradual change in fertility across the ovulatory cycle with a focus on fertile days. The fertile state was confirmed by urinary ovulation tests as well as salivary oestradiol and progesterone levels. Men rated the scent of unfamiliar women, resembling a first encounter. We used multivariate analyses to relate variation in both odour ratings and chemical composition to female conception probability, temporal distance to ovulation and ovarian hormone levels. Our results provide no evidence that males prefer the odour of fertile women. Furthermore, the volatile analysis indicated no link between axillary odour composition and current fertility status. Together, our results showed no convincing support for a chemical fertility cue in women's axillary odour, questioning the presence of olfactory fertility information that is recognizable during first encounters in modern humans. [ABSTRACT FROM AUTHOR]

Background. Water kefir is a kind of beverage from a brown sugar solution fermented by water kefir grains. It has probiotic functions and unique flavour, and is widely popular in the international market. However, there are few comparative studies on water kefir grains sourced domestically and internationally. Therefore, the purpose of this study was to compare the fermentation performance and metabolites of 6 different water kefir grains from different sources in brown sugar water, in order to provide a theoretical basis for subsequent functional studies and to identify advantages for the development of water kefir. Methods. The fermentation characteristics of 6 kinds of water kefir grains (HY, GS, LS, SJ, JW, M339) were studied by measuring the wet weight of water kefir grains and the pH value, acidity, polysaccharide yield and antibacterial activity of the fermentation solution. Then the metabolites were analysed by GC-MS. Finally, an orthogonal partial least squares discriminant score (OPLS-DA) was used to identify the differences among the groups. Results. Among the 6 kinds of water kefir grains, JW had the fastest proliferation, SJ produced more acid and its fermentation broth had the best inhibition effect on E. coli, and the yield of exopolysaccharides of LS was the highest. A total of 131 metabolites were detected in 6 kinds of water kefir, including 22 kinds of carbohydrates, 35 kinds of esters, 29 kinds of acids, 10 kinds of alcohols, 8 kinds of nucleosides, 6 kinds of amino acids, 4 kinds of ethers and aldehydes, and 17 kinds of other organic compounds. OPLS-DA showed significant variation among different water kefir groups. Conclusion. Determination of several important indicators of water kefir grain fermentation and GC-MS analysis of metabolites can clearly identify the differences of water kefir grains from different sources, which is conducive to its targeted development and utilisation. [ABSTRACT FROM AUTHOR]

The compositional composition of oil from the Uzen field has been studied by gas chromatography-mass spectrometry. For the analysis, we used the oil sampled at the central oil treatment station on February 26, 2020, as well as its fraction up to 60 °C, obtained by simple distillation of the original oil. It was found that in addition to the traditional main components of oil, it contains a high content of valuable unsaturated carboxylic acids and their esters. The composition of the studied oil and its fraction up to 60 °C contains a large amount of methyl esters of Z, Z-9,12-octadecadienoic (7.04 and 1.33 mass%) and Z-6-octadecenoic acids (1.33 and 0.68 mass%), respectively. These substances are the basis for the production of acidol and mylonaft. Also, these acids are the basis for dietary supplements - they belong to ω-acids. A table of valuable oil components has been compiled and the price of some of them is presented. [ABSTRACT FROM AUTHOR]

Short‐chain fatty acids (SCFAs) are organic acids with carbon atoms less than six, released through fermentation products by intestinal microbiome, having multiple physiological activities. Considering weak acidity and high volatility, derivatization or liquid–liquid extraction is essential, which is time consuming. Headspace‐solid‐phase dynamic extraction (HS‐SPDE) coupled with gas chromatography‐mass spectrometry is automated and effortless to determine SCFAs in rat feces. The extraction procedure is performed by aspirating and discharging the headspace cyclically through a steel needle, coated with an inner polyethylene glycol sorbent. The key parameters of SPDE were optimized including coating type, incubation time and temperature, and number of extraction strokes. Besides, salting‐out was conducted. Then, a method by HS‐SPDE‐GC‐MS was established and validated. It only took 3‐min incubation time, 4.5 min extraction time, and 13 min chromatographic separation in a run. The recovery, linearity, limit of quantification, and stability were evaluated. Then, the proposed method was applied to analyze rat feces including 18 rats with liver injury and 23 normal controls. Mann–Whitney U test indicated that the concentrations of six SCFAs in normal rat feces were higher than those with liver injury. This method provides a choice for fast, solvent‐free, automated, and high‐throughput analysis of SCFAs. [ABSTRACT FROM AUTHOR]

In this paper, dispersive micro-solid phase extraction technique was developed for the purpose of extracting and preconcentrating organochlorine pesticide residues in juice samples before their separation and quantitative analysis by gas chromatography-mass spectrometry. A sorbent composed of a silica-supported Fe2O3-modified khat leftover biochar nanocomposite (SiO2-Fe2O3-KLBNC) was implemented in the process. To improve the dispersion of the sorbent in the solution, vortex mixer was employed. Experimental parameters influencing the performance of the method were optimized, and the optimal conditions were established. With these conditions, linear dynamic ranges ranged from 0.003 to 100.0 ng/mL were achieved, with a correlation coefficient (r2) ≥ 0.9981. The limits of detection and quantification, determined by signal-to-noise ratios of 3 and 10, respectively, were found to be in the ranges of 0.001–0.006 ng/mL and 0.003–0.020 ng/mL. Intra- and inter-day precision, values ranging from 0.3–4.8% and 1.7–5.2% were obtained, respectively. The matrix-matched extraction recoveries demonstrated favorable outcomes, falling within the range of 83.4–108.3%. The utilization of khat leftover as an adsorbent in contemporary sample preparation methodologies offers a cost-effective alternative to the currently available, yet expensive, adsorbents. This renders it economically viable, particularly in resource-constrained regions, and is anticipated to witness widespread adoption in the coming future. [ABSTRACT FROM AUTHOR]

Bamboo vinegar is a liquid biomass with a huge yield and complex chemical composition. At present, the relative quantification of bamboo vinegar has been investigated in most studies. To analyze twelve compounds from bamboo vinegar simultaneously, gas chromatography-mass spectrometry and an external standard method were used to develop an analytical method. In this method, chromatographic separations of all compounds were above 1.5. The linear range was between 0.100 and 10.000 mg/L, and the coefficient of determination (R2) was between 0.9981 and 0.9997, indicating a good linear relationship. The limit of detection (LOD) was between 0.004 and 0.780 mg/L; the limit of quantitation (LOQ) was between 0.016 and 3.120 mg/L; the relative standard deviations (RSDs) of instrument precision and method stability were less than 8%; the recovery rate was between 89.25% and 113.77%, and its RSD was between 0.44% and 5.70%. Using this method, fourteen bamboo vinegars and six wood vinegars were analyzed, and it was found that the content of propionic acid, phenol, and 2-methoxyphenol was higher in most samples. In addition, the differences in physicochemical properties between distilled bamboo vinegar and its original solution after atmospheric distillation were investigated. [ABSTRACT FROM AUTHOR]

Introduction: Changes in skin phenotypic characteristics are based on skin tissue. The study of the metabolic changes in skin tissue can help understand the causes of skin diseases and identify effective therapeutic interventions. Objectives: We aimed to establish and optimize a non-targeted skin metabolome extraction system for skin tissue metabolomics with high metabolite coverage, recovery, and reproducibility using gas chromatography/mass spectrometry. Methods: The metabolites in skin tissues were extracted using eleven different extraction systems, which were designed using reagents with different polarities based on sequential solid-liquid extraction employing a two-step strategy and analyzed using gas chromatograph/mass spectrometry. The extraction efficiency of diverse solvents was evaluated by coefficient of variation (CV), multivariate analysis, metabolites coverage, and relative peak area analysis. Results: We identified 119 metabolites and the metabolite profiles differed significantly between the eleven extraction systems. Metabolites with high abundances in the organic extraction systems, followed by aqueous extraction, were involved in the biosynthesis of unsaturated fatty acids, while metabolites with high abundances in the aqueous extraction systems, followed by organic extraction, were involved in amino sugar and nucleotide sugar metabolism, and glycerolipid metabolism. MeOH/chloroform-H2O and MeOH/H2O-chloroform were the extraction systems that yielded the highest number of metabolites, while MeOH/acetonitrile (ACN)-H2O and ACN/H2O-IPA exhibited superior metabolite recoveries. Conclusion: Our results demonstrated that our research facilitates the selection of an appropriate metabolite extraction approach based on the experimental purpose for the metabolomics study of skin tissue. [ABSTRACT FROM AUTHOR]

Estimation of the postmortem interval (PMI), especially the early PMI, plays a key role in forensic practice. Although several studies based on metabolomics approaches have presented significant findings for PMI estimation, most did not examine the effects of ambient temperature. In this study, gas chromatography–mass spectrometry (GC‒MS)‒based metabolomics was adopted to explore the changes in metabolites in the cardiac blood of suffocated rats at various ambient temperatures (5 °C, 15 °C, 25 °C, and 35 °C) from 0 to 24 h after death. Isoleucine, alanine, proline, valine, glycerol, glycerol phosphate, xanthine, and hypoxanthine were found to contribute to PMI in all temperature groups. Hypoxanthine and isoleucine were chosen to establish estimation models (equations) with an interpolation function using PMI as the dependent variable (f(x, y)), relative intensity as the independent variable x, and temperature as the independent variable y. Thereafter, these two models were validated with predictive samples and shown to have potential predictive ability. The findings indicate that isoleucine, alanine, proline, valine, glycerol, glycerol phosphate, xanthine, and hypoxanthine may be significant for PMI estimation at various ambient temperatures. Furthermore, a method to determine PMI based on ambient temperature and PMI-related metabolites was explored, which may provide a basis for future studies and practical applications. [ABSTRACT FROM AUTHOR]

Cuticular waxes are essential for protecting plants from various environmental stresses. Allium fistulosum serves as an excellent model for investigating the regulatory mechanisms underlying cuticular wax synthesis with notable epidermal wax characteristics. A combination of gas chromatography–mass spectrometry (GC–MS) metabolite analysis and transcriptomics was used to investigate variations in metabolites and gene expression patterns between the wild type (WT) and glossy mutant type (gl2) of A. fistulosum. The WT surface had a large number of acicular and lamellar waxy crystals, whereas the leaf surface of gl2 was essentially devoid of waxy crystals. And the results revealed a significant decrease in the content of 16-hentriacontanone, the principal component of cuticular wax, in the gl2 mutant. Transcriptomic analysis revealed 3084 differentially expressed genes (DEGs) between WT and gl2. Moreover, we identified 12 genes related to fatty acid or wax synthesis. Among these, 10 DEGs were associated with positive regulation of wax synthesis, whereas 2 genes exhibited negative regulatory functions. Furthermore, two of these genes were identified as key regulators through weighted gene co-expression network analysis. Notably, the promoter region of AfisC5G01838 (AfCER1-LIKE1) exhibited a 258-bp insertion upstream of the coding region in gl2 and decreased the transcription of the AfCER1-LIKE1 gene. This study provided insights into the molecular mechanisms governing cuticular wax synthesis in A. fistulosum, laying the foundation for future breeding strategies. [ABSTRACT FROM AUTHOR]

The antimicrobial, UV photoprotective and antioxidant capabilities of Spirulina spp. methanolic extracts were determined using Fourier transform infrared spectroscopy (FTIR) and gas chromatographymass spectrometry (GC-MS). Notable compounds were reported to be 5 fatty acid methyl esters, 4-methoxyallocinnamic acid, 2-ethylhexyl esters and bumetrizole. Moreover, these metabolites contained functionalities including hydroxyl, alkyl and carbonyl, as supported by the FTIR result. After 24 h, there was no zone of inhibition in the antibacterial activity as measured by the agar well diffusion method at doses of 30, 50 and 70 g/mL. The ABTS radical scavenging assay revealed that the methanolic Spirulina spp. exhibited an inhibitory concentration of 1,047.91 g/mL for antioxidant activity and SPF values of 0.40, 0.23 and 0.93 were calculated using Mansur's equation for concentrations of 30, 50 and 70 g/mL, respectively. The results of the study showed the potential of cyanobacterial extracts as a bioactive ingredient in cosmetic product development. [ABSTRACT FROM AUTHOR]

A new synthetic approach to 2,2′:6′,2″-terpyridines bearing the CF3 and HCF2 substituents at the C(4′) atoms that involved the reaction of lithium 3-polyfluoroalkyl-1,3-ketoenolates with ammonium acetate in glacial AcOH was developed. [ABSTRACT FROM AUTHOR]

Rice metabolomics is widely used for biomarker research in the fields of pharmacology. As a consequence, characterization of the variations of the pigmented and non-pigmented traditional rice varieties of Tamil Nadu is crucial. These varieties possess fatty acids, sugars, terpenoids, plant sterols, phenols, carotenoids and other compounds that plays a major role in achieving sustainable development goal 2 (SDG 2). Gas-chromatography coupled with mass spectrometry was used to profile complete untargeted metabolomics of Kullkar (red colour) and Milagu Samba (white colour) for the first time and a total of 168 metabolites were identified. The metabolite profiles were subjected to data mining processes, including principal component analysis (PCA), Orthogonal Partial Least Square Discrimination Analysis (OPLS-DA) and Heat map analysis. OPLS-DA identified 144 differential metabolites between the 2 rice groups, variable importance in projection (VIP) ≥ 1 and fold change (FC) ≥ 2 or FC ≤ 0.5. Volcano plot (64 down regulated, 80 up regulated) was used to illustrate the differential metabolites. OPLS-DA predictive model showed good fit (R2X = 0.687) and predictability (Q2 = 0.977). The pathway enrichment analysis revealed the presence of three distinct pathways that were enriched. These findings serve as a foundation for further investigation into the function and nutritional significance of both pigmented and non-pigmented rice grains thereby can achieve the SDG 2. [ABSTRACT FROM AUTHOR]

Pyrethroid pesticides (PYRs) have found widespread application in agriculture for the protection of fruit and vegetable crops. Nonetheless, excessive usage or improper application may allow the residues to exceed the safe limits and pose a threat to consumer safety. Thus, there is an urgent need to develop efficient technologies for the elimination or trace detection of PYRs from vegetables. Here, a simple and efficient magnetic solid-phase extraction (MSPE) strategy was developed for the simultaneous purification and enrichment of five PYRs in vegetables, employing the magnetic covalent organic framework nanomaterial COF-SiO2@Fe3O4 as an adsorbent. COF-SiO2@Fe3O4 was prepared by a straightforward solvothermal method, using Fe3O4 as a magnetic core and benzidine and 3,3,5,5-tetraaldehyde biphenyl as the two building units. COF-SiO2@Fe3O4 could effectively capture the targeted PYRs by virtue of its abundant π-electron system and hydroxyl groups. The impact of various experimental parameters on the extraction efficiency was investigated to optimize the MSPE conditions, including the adsorbent amount, extraction time, elution solvent type and elution time. Subsequently, method validation was conducted under the optimal conditions in conjunction with gas chromatography–mass spectrometry (GC-MS). Within the range of 5.00–100 μg·kg−1 (1.00–100 μg·kg−1 for bifenthrin and 2.5–100 μg·kg−1 for fenpropathrin), the five PYRs exhibited a strong linear relationship, with determination coefficients ranging from 0.9990 to 0.9997. The limits of detection (LODs) were 0.3–1.5 μg·kg−1, and the limits of quantification (LOQs) were 0.9–4.5 μg·kg−1. The recoveries were 80.2–116.7% with relative standard deviations (RSDs) below 7.0%. Finally, COF-SiO2@Fe3O4, NH2-SiO2@Fe3O4 and Fe3O4 were compared as MSPE adsorbents for PYRs. The results indicated that COF-SiO2@Fe3O4 was an efficient and rapid selective adsorbent for PYRs. This method holds promise for the determination of PYRs in real samples. [ABSTRACT FROM AUTHOR]

There are several highly damaging Phytophthora species pathogenic to forest trees, many of which have been spread beyond their native range by the international trade of live plants and infested materials. Such introductions can be reduced through the development of better tools capable of the early, rapid, and high-throughput detection of contaminated plants. This study utilized a volatilomics approach (solid-phase microextraction coupled to gas chromatography–mass spectrometry) to differentiate between several Phytophthora species in culture and discriminate between healthy and Phytophthora-inoculated European beech and pedunculate oak trees. We tentatively identified 14 compounds that could differentiate eight Phytophthora species from each other in vitro. All of the Phytophthora species examined, except Phytophthora cambivora, uniquely produced at least one compound not observed in the other species; however, most detected compounds were shared between multiple species. Phytophthora polonica had the most unique compounds and was the least similar of all the species examined. The inoculated seedlings had qualitatively different volatile profiles and could be distinguished from the healthy controls by the presence of isokaurene, anisole, and a mix of three unknown compounds. This study supports the notion that volatiles are suitable for screening plant material, detecting tree pathogens, and differentiating between healthy and diseased material. [ABSTRACT FROM AUTHOR]

Vacuum‐assisted headspace solid‐phase microextraction (Vac‐HS‐SPME) is a technique used to enhance SPME sampling of semi‐volatile organic compounds. Here, it was combined with a high‐capacity SPME Arrow, which features a larger volume of extraction phase and a more rugged configuration than traditional extraction fibers. An in‐depth assessment of the critical parameters was conducted to achieve optimal extraction of representative compounds from a model solid sample matrix (Ottawa sand). Operational fundamentals investigated included the types of seals needed to create a leak‐free environment under vacuum conditions; the magnitude of the vacuum applied and time needed to activate the Vac kinetics; order of sample vial preparation methods (VPMs); and other standard variables associated with extract analysis by gas chromatography‐mass spectrometry. When exploring the limits of sample VPMs, results indicated an ideal workflow requires the solid sample to be spiked before sealing the vial, allow the sample to rest overnight, then apply vacuum at a pressure of ‐677 mbar (out of ‐789 mbar maximum possible vacuum with pump and compressor used), exerted on the vial for 90 s. This work provides the necessary workflow for the optimization of Vac‐HS‐SPME sampling of analytes from solid matrices. [ABSTRACT FROM AUTHOR]

Wall paintings are integral to cultural heritage and offer rich insights into historical and religious beliefs. There exist various wall painting techniques that pose challenges in binder and pigment identification, especially in the case of egg/oil-based binders. GC-MS identification of lipidic binders relies routinely on parameters like the ratios of fatty acids within the plaster. However, the reliability of these ratios for binder identification is severely limited, as demonstrated in this manuscript. Therefore, a more reliable tool for effective differentiation between egg and oil binders based on a combination of diagnostic values, specific markers (cholesterol oxidation products), and PCA is presented in this study. Reference samples of wall paintings with egg and linseed oil binders with six different pigments were subjected to modern artificial ageing methods and subsequently analysed using two GC-MS instruments. A statistically significant difference (at a 95% confidence level) between the egg and oil binders and between the results from two GC-MS instruments was observed. These discrepancies between the results from the two GC-MS instruments are likely attributed to the heterogeneity of the samples with egg and oil binders. This study highlights the complexities in identifying wall painting binders and the need for innovative and revised analytical methods in conservation efforts. [ABSTRACT FROM AUTHOR]

Sensitizers are used to prepare photosensitive materials for ink-printing and thermal-recording media. Typical sensitizers contain an aromatic ring and exhibit aryl hydrocarbon receptor-mediated activity. They can accumulate in aquatic biota, leading to the disruption of ecosystems. Effluent from paper recycling plants has been identified as a source of contamination, and the presence of sensitizers in toilet paper may represent a new source of contamination in aquatic environments. To examine possible sources of contamination by sensitizers, this study investigated the levels of sensitizers in recycled toilet paper. We also studied the prevalence of sensitizers in rivers receiving effluents from sewage treatment plants in Japan, from 2020 to 2022. We detected eight sensitizers and related compounds in both toilet paper and river water samples; their total concentrations ranged from 0.78 to 34 µg/g (mean: 12 µg/g) in toilet paper and 58–1167 µg/L (median: 77 µg/L) in water. In the water samples, sensitizers were partitioned between liquid and suspended solid phases, and in suspended solids, sensitizers accounted for an average of 42% of the total. Correlation analysis showed a high correlation between sensitizer composition in the water from a river receiving sewage treatment plant effluents and toilet paper. Since these compounds were also detected in the river water analyzed in this study, toilet paper should be considered a novel source of sensitizers contamination in sewage treatment systems. [ABSTRACT FROM AUTHOR]

The aim of the study was to examine the effect of drying on the aroma profile and bioactivity of Cinnamomum camphora L. leaf. Clevenger was used to extract essential oils and were analyzed by GC and GC-MS. Principal component analysis (PCA) was used to visualize the variance in the aroma profile. These oils were tested for their antioxidant and anti-inflammatory potential. Fresh oil was found to be rich in camphor, limonene, α-pinene and myrcene. Camphor, limonene and α-pinene were the major constituents of all the oils under different drying conditions. The content of camphor increased significantly upon drying. Shade drying could be used as the most prominent drying method for C. camphora L. as it was found to have the highest camphor content (67.30 %), essential oil yield (0.34 %) and in-vitro anti-inflammatory activity potential (IC50: 7.46 μg mL−1). Monoterpene hydrocarbons might be responsible for the antioxidant activity. [ABSTRACT FROM AUTHOR]

The analysis of plant essential oil components using gas chromatography-mass spectrometry (GC-MS) serves as an integral component of modern chemical experiment and technology (instrumental analysis part) for undergraduates in our college. The conventional approach of steam distillation for extracting plant essential oil suffers from limitations such as low extraction rate, solvent residue and extended processing time. Supercritical CO2 extraction, an advanced green extraction technology, offers considerable advantages for the isolation of bioactive constituents from natural plants and animals. In this experiment, citrus essential oil was extracted using supercritical CO2 extraction and compared with traditional steam distillation method. A total of 106 essential oil components were isolated using supercritical CO2 extraction, with the following distribution in terms of relative content: terpenes, aldehydes, acids, esters, ketones and alcohols, among which terpenes accounted for 89.55%. The incorporation of supercritical CO2 extraction technology into the laboratory syllabus not only enriches students' understanding of advanced sample preparation methods but also enhances their practical skills, research acumen, and innovative thinking. Furthermore, this technology streamlines experiment timeline, reduces the use of hazardous reagents, and promotes green experiment teaching. [ABSTRACT FROM AUTHOR]

Pesticide residues and heavy metal content of cassava, yam, cocoyam, potato, water yam and carrot were evaluated by gas chromatography-mass spectrometry and atomic absorption spectroscopy. The detected pesticide residues in the samples were 2,4-dichlorophenoxyacetic acid, glyphosate, hexachlorobenzene (HCB), dichlorobiphenyl, aldrin, endosulfan, profenofos, g-chlordane, carbofuran, biphenyl, heptachlor, lindane and t-Nonachlor. The concentration of HCB ranged between 0.0799 ± 0.06 mg/kg and 0.1596 ± 0.00 mg/kg, which was greater than the permitted maximum limit of 0.5 mg/kg established by the US Environmental Protection Agency. The concentration of aldrin and profenofos detected was lower than the predetermined maximum allowed limits. Endosulfan concentrations in cocoyam (0.2500 mg/kg) and potato (0.3265 mg/kg) were higher than the limits allowed by the Canadian Department of Industrial Research. The heavy metals detected in these samples include cobalt, nickel, lead, manganese, chromium, arsenic and mercury in at least one of the samples evaluated. There was not much difference between the concentration of cobalt in yam (0.036 mg/kg) and the maximum allowed concentration (0.043 mg/kg). Lead was detected in potatoes and carrots but was below detectable concentration in cassava, yam, cocoyam and water yam. Similarly, cocoyam was found to have a significant mercury content (0.658 mg/kg), but mercury content was below detectable concentrations in cassava, yam and water yam. [ABSTRACT FROM AUTHOR]

This study focuses on the behavior of volatile organic compounds in beef after irradiation with 1 MeV accelerated electrons with doses ranging from 0.25 kGy to 5 kGy to find reliable dose-dependent markers that could be used for establishing an effective dose range for beef irradiation. GC/MS analysis revealed that immediately after irradiation, the chemical yield and accumulation rate of lipid oxidation-derived aldehydes was higher than that of protein oxidation-derived aldehydes. The nonlinear dose-dependent relationship of the concentration of volatile organic compounds was explained using a mathematical model based on the simultaneous occurrence of two competing processes: decomposition of volatile compounds due to direct and indirect action of accelerated electrons, and accumulation of volatile compounds due to decomposition of other compounds and biomacromolecules. A four-day monitoring of the beef samples stored at 4 °C showed that lipid oxidation-derived aldehydes, protein oxidation-derived aldehydes and alkanes as well as alcohol ethanol as an indicator of bacterial activity were dose-dependent markers of biochemical processes occurring in the irradiated beef samples during storage: oxidative processes during direct and indirect action of irradiation, oxidation due to the action of reactive oxygen species, which are always present in the product during storage, and microbial–enzymatic processes. According to the mathematical model of the change in the concentrations of lipid oxidation-derived aldehydes over time in the beef samples irradiated with different doses, it was found that doses ranging from 0.25 kGy to 1 kGy proved to be most effective for beef irradiation with accelerated electrons, since this dose range decreases the bacterial content without considerable irreversible changes in chemical composition of chilled beef during storage. [ABSTRACT FROM AUTHOR]

A lignin model oligomer with only β-O-4 linkages and a selectively deuterium-labelled methoxy group at the phenolic terminal units was synthesised to clarify the behaviour of the phenolic end of oligolignols. First, t-butoxycarbonylmethyl vanillin was synthesised and oligomerised by nucleophilic addition, a known method. The terminal of the oligomers was then subjected to nucleophilic addition to [3-OCD3]benzyl vanillin to achieve selective labelling of the terminal units. A deuterium-labelled lignin model oligomer (D-LM) was obtained through debenzylation and subsequent reduction. The results of thioacidolysis after methylation revealed that the degree of polymerisation was about five, and the deuterium-labelled phenylpropane unit was located only at the phenolic terminal moiety. [ABSTRACT FROM AUTHOR]

Introduction E-cigarettes are becoming increasingly popular in Australia, especially amongst the younger population. The synthetic cooling molecules WS-3 and WS-23 have been identified in e-cigarette products from the United States and Europe. The extent of inclusion of these synthetic coolants in Australian e-liquids is unknown, particularly in newer disposable e-cigarettes. Aims and Methods E-cigarettes and e-liquids were purchased within Australia and anonymously donated by Australian users. Nicotine, WS-3, WS-23, and menthol were quantified in the e-liquids using gas chromatography-mass spectrometry (GC-MS). Results WS-23 and nicotine were detected in all of the disposable e-cigarettes with WS-23 often present in high concentrations. There was no correlation between cooling terms in the flavor name and the inclusion of cooling agents. Only three bottled e-liquids were found to contain WS-23 while none contained WS-3 above the limit of detection. Conclusions Synthetic coolants were a common addition in disposable e-cigarettes while rarely added to e-liquid bottle refills. Their inclusion in these products is reflective of trends observed in United States and European e-cigarette products. Implications The increase in synthetic cooling agents as components of e-liquids, particularly disposable e-cigarette devices, has been observed within Australian samples across a range of brands and flavors. WS-23 was present in every disposable e-cigarette analyzed in this study, often in relatively high concentrations. Its inhalational toxicology should be considered when evaluating the safety of these products. [ABSTRACT FROM AUTHOR]

Owing to the difficult degradation of phenolic compounds, the existence of phenolic compound residues accumulated through the food chain in crustaceans and their effects on human health have garnered considerable and more attention. However, the current detection methods for phenolic compounds are not only complex and time-consuming but can also detect fewer types of phenols simultaneously. Thus, a simple, high-throughput method without derivatization for the determination of 18 phenolic compounds in crustaceans was developed using a modified QuEChERS sample preparation method combined with gas chromatography-mass spectrometry. The results indicated that the average recovery of the 18 phenolic compounds was 80.2–106.5% at three spiked levels, and the relative standard deviation was 2.6–12.4%. The limits of detection and quantitation were 0.001–0.014 and 0.003–0.042 mg/kg, respectively. Good linear relationships were observed for the phenolic compounds in their corresponding concentration ranges (R2 > 0.999). The applicability of the method was assessed by analyzing 16 actual shrimp samples, among which five samples contained residues ranging from 0.013 to 0.042 mg/kg. Moreover, the establishment of this method has important theoretical and practical significance for the determination and control of the residue levels of phenolic compounds in crustaceans. In addition, it can provide a reference for the development of similar detection standard methods in the future. [ABSTRACT FROM AUTHOR]

Mono‐varietal virgin olive oils were obtained from Olea europaea L. olives grown in the National Olive Germplasm Bank in the same agronomic conditions for two harvesting years. Samples were characterized according to fatty acid composition, volatile profile, and sensory attributes, and varieties were compared using Pearson correlation, principal component analysis (PCA), and cluster analysis. Odor activity values (OAVs) of the volatiles were calculated to discuss relationships between individual sensory properties and volatiles. Although most of the samples overlapped on the score plots, some samples were located away from the others. The sample groupings on the dendrogram plotted using Ward's linkage were generally suitable with PCA results. Ethanol had a negative correlation with 9 out of 14 pleasant attributes. According to OAVs, trans‐2‐hexenal content had the most important effect on sensory attributes and positively correlated with flower odor, whereas hexenal content contributed to sweet attributes. Similarly, the effect of 1‐hexanol content strengthened the flower attribute but weakened the bitter taste. These findings were also confirmed by separating some varieties rich in those volatiles on the PCA bi‐plot of sensory attributes. Samples were grouped on a dendrogram in accordance with total ester and total C3, C5, and C6 acid contents. Practical Application: Most olive production in Turkey is based on a few varieties, whereas 95 different endemic varieties were registered by Turkish National Germplasm Bank. This study provides information on the volatile composition, sensory profile, and fatty acid composition of virgin olive oils produced from some rare varieties with high oil content. Moreover, relationships and correlations between individual volatiles and sensory attributes were evaluated, and the main differences in fatty acid composition, volatile profile, and sensory attributes of these Turkish virgin olive oils and those produced from well‐known varieties from major producing countries were compared. Thus, data on the main characteristics of extra virgin olive oils produced from Turkish olives were provided to the literature, these varieties were promoted internationally, and their cultivation was encouraged. [ABSTRACT FROM AUTHOR]

• Embelia ribes fruit extract inhibits QS-dependent virulence factors and biofilm. • Inhibition of QS enhances efficacy of antimicrobial drugs & attenuates pathogenicity. • Reduction in swarming motility and exopolysaccharide production in test pathogens. • In silico results provided insights into the mechanism underlying anti-QS activity. • Embelin was found to be the most prominent compound with potent anti-QS activity. Quorum sensing (QS) is a cell-to-cell signaling method that allows bacteria to control gene expression and regulate a variety of physiological processes, particularly the synthesis of virulence factors and biofilm formation. Inhibition of QS has been proposed as a promising strategy in attenuating the pathogenicity and enhancing the efficacy of antimicrobial drugs targeting bacterial infections. This study investigated the potential utilization of Embelia ribes fruit extract (ERFE) as an inhibitor of QS-dependent virulence factors and biofilm development in Gram negative pathogens. Further, the results were correlated with the inhibition of biofilms. High performance thin-layer chromatography (HPTLC), followed by analysis of phytochemicals using gas chromatography-mass spectrometry (GC–MS) was conducted. Analyzing ADMET (absorption, distribution, metabolism, excretion and toxicity) profiles, PAINS (Pan-assay interference compounds), and molecular docking analyses of selected potential phytochemicals were performed against proteins participating in QS and formation of biofilm. In-vitro analysis of anti-QS activity of ERFE against Chromobacterium violaceum (violacein production), Pseudomonas aeruginosa (pyocyanin production) and Serratia marcescens (prodigiosin production) demonstrated significant dose-dependent interference in pigment formation at sub-MIC concentrations. The development of biofilm was significantly reduced by 84.10, 85.52 and 70.64% over control at the highest sub-MIC levels for C. violaceum, P. aeruginosa and S. marcescens , respectively. Furthermore, in the presence of ERFE, swarming motility and exopolysaccharide production (EPS) were also reduced. As a result, further insights have been gained into the mechanism underlying the anti-QS activity. Further investigations with in-vivo studies are warranted to fully explore the therapeutic applications of this natural compound in managing the bacterial pathogenicity and biofilm-related infections. [ABSTRACT FROM AUTHOR]