Determination of amphetamines in hair samples using microextraction by packed sorbent and gas chromatography-mass spectrometry.

Several protocols for the analysis of amphetamine-type stimulants (ATS) in hair have been developed over the years, with microextraction by packed sorbent (MEPS) being used for drugs like opiates, cocaine and ketamine. However, concerning ATS determination in hair samples, this approach has only been applied so far to amphetamine (AMP) and methamphetamine (MAMP). This study aimed at developing and validating a MEPS-based procedure for the determination in hair of not only AMP and MAMP but also of 3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxymethamphetamine (MDMA), 1-(1,3-benzodioxol-5-yl)propan-2-yl (ethyl)amine (MDE) and N-methyl-1-(1,3-benzodioxol-5-yl)-2-aminobutane (MBDB) as well. Hair, 50 mg, was incubated with 1 M sodium hydroxide (NaOH) at 45°C overnight, neutralization with 10 M hydrochloric acid (HCl) and centrifugation followed. The design of experiments approach was used for MEPS optimization, with the final optimized conditions including conditioning (250 µL methanol and deionized water), loading (18 × 100 µL) and elution (7 × 100 µL 2% NH4OH in acetonitrile). The eluted extract was evaporated to dryness and underwent microwave-assisted derivatization with N-methyl-bis(trifluoroacetamide) (MBTFA), and it was afterwards injected onto the gas chromatography-mass spectrometer (GC-MS). The obtained recoveries ranged between 8% and 14% for AMP, 14% and 20% for MAMP, 10% and 15% for MDA, 18% and 28% for MDMA, 25% and 43% for MDE and 34% and 52% for MBDB, and the method was linear from 0.2 to 5.0 ng/mg. Precision and accuracy were in accordance with international method validation guidelines. This novel method involving MEPS coupled to GC-MS offers a swift, eco-friendly and cost-effective alternative to traditional procedures for detecting these AMPs in hair samples.

The morphology of the pygidial glands and the chemical composition of their secretions of four sphodrine ground beetle species (Carabidae: Platyninae).

Ground beetles possess a pair of pygidial glands that produce and release secretions that play an important role in defense against predators. The morphology of these glands and the chemical composition of their products were studied in four species of the tribe Sphodrini: Calathus (Calathus) fuscipes (Goeze, 1777), C. (Neocalathus) cinctus Motschulsky, 1850, C. (N.) melanocephalus (Linnaeus, 1758) and Laemostenus (Antisphodrus) elongatus (Dejean, 1828). The morphological analyzes of the glands of the four taxa mentioned were carried out for the first time using bright-field and nonlinear microscopy. All morphological structures were precisely measured and photographed. The pygidial gland secretions of C. (C.) fuscipes and L. (A.) elongatus were analyzed for the first time using gas chromatography-mass spectrometry. A total of 30 compounds were detected from the extracts of pygidial gland secretions of the four Sphodrini species studied. The simplest chemical mixture was found in L. (A.) elongatus, while the most complex secretion was that of C. (C.) fuscipes. 1-Undecanol, which we were able to detect in all taxa examined here, and dodecyl butyrate, which was detected in the three Calathus species, have never before been detected in the secretions of ground beetles.

Volatile Compounds for Discrimination between Beef, Pork, and Their Admixture Using Solid-Phase-Microextraction-Gas Chromatography-Mass Spectrometry (SPME-GC-MS) and Chemometrics Analysis.

This study addresses the prevalent issue of meat species authentication and adulteration through a chemometrics-based approach, crucial for upholding public health and ensuring a fair marketplace. Volatile compounds were extracted and analyzed using headspace-solid-phase-microextraction-gas chromatography-mass spectrometry. Adulterated meat samples were effectively identified through principal component analysis (PCA) and partial least square-discriminant analysis (PLS-DA). Through variable importance in projection scores and a Random Forest test, 11 key compounds, including nonanal, octanal, hexadecanal, benzaldehyde, 1-octanol, hexanoic acid, heptanoic acid, octanoic acid, and 2-acetylpyrrole for beef, and hexanal and 1-octen-3-ol for pork, were robustly identified as biomarkers. These compounds exhibited a discernible trend in adulterated samples based on adulteration ratios, evident in a heatmap. Notably, lipid degradation compounds strongly influenced meat discrimination. PCA and PLS-DA yielded significant sample separation, with the first two components capturing 80% and 72.1% of total variance, respectively. This technique could be a reliable method for detecting meat adulteration in cooked meat.

Detection and quantification of microplastics in various types of human tumor tissues.

Microplastics (MPs) have been detected in various human tissues. However, whether MPs can accumulate within tumors and how they affect the tumor immune microenvironment (TIME) and therapeutic responses remains unclear. This study aimed to determine the presence of MPs in tumors and their potential effects on the TIME. Sixty-one tumor samples were collected for analysis. The presence of MPs in tumors was qualitatively and quantitatively assessed using pyrolysis-gas chromatography-mass spectrometry. MPs were detected in 26 of the samples examined. Three types of MPs were identified: polystyrene, polyvinyl chloride, and polyethylene. In lung, gastric, colorectal, and cervical tumors, the MP detection rates were 80 %, 40 %, 50 %, and 17 % (7.1-545.9 ng/g), respectively. MPs were detected in 70 % of pancreatic tumors (18.4-427.1 ng/g) but not detected in esophageal tumors. In pancreatic cancer, the MP-infiltrated TIME exhibited a reduction in CD8+ T, natural killer, and dendritic cell counts, accompanied by substantial neutrophil infiltration. This study illustrates the potential presence of MPs in diverse tumors; varying adhesive affinities were observed among different tumor types. MPs may lead to a more adverse TIME in pancreatic tumors. Further investigations are warranted to assess whether MPs promote tumor progression and affect the efficacy of immunotherapy.

Combined perceptual and chemical analyses show no compelling evidence for ovulatory cycle shifts in women's axillary odour.

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.

Lipidomic Analysis Reveals Branched-Chain and Cyclic Fatty Acids from Angomonas deanei Grown under Different Nutritional and Physiological Conditions.

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.

GC-MS-based untargeted plasma metabolomics identifies a 2-biomarker panel for possible diagnosis of precancerous cervical intraepithelial neoplasia stages from cervical cancer.

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.

Assessing residual fragrances on skin after body washing: Optimization of an analytical method using solid-phase microextraction coupled with gas chromatography-mass spectrometry.

OBJECTIVE: The aim of this study is to develop and optimize a method for evaluating the persistence of residual fragrance after body washing, addressing a significant requirement in the development of personal care products. The main objective is to establish a reliable, sensitive and reproducible analytical technique to assess fragrance longevity on skin post-use of body wash products. METHODS: Headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography-mass spectrometry (GC-MS) is used to analyse residual fragrances. We investigate the extraction efficiencies of various SPME fibres and compare different methods for sampling skin-emitted fragrances, including tape stripping and sealed glass funnels. A controlled body-washing procedure is implemented to standardize the cleansing process. RESULTS: Our findings indicate that the relative standard deviation for measuring five distinct fragrances is within the range of 3%-14%, highlighting the precision of the method. A notable variance exists in the extraction efficiency of fragrances using different types of SPME fibres, with some exhibiting over a threefold difference. Furthermore, the glass funnel method for fragrance collection demonstrates an 11.7 times greater sensitivity to galaxolide than that of the tape-stripping method. Residual fragrances with base notes as the main components can be detected on the skin up to 24 h after body washing. CONCLUSION: The optimized method for residual fragrance evaluation developed in this study offers a robust tool for analysing fragrance components persisting on the skin for up to 24 h post-wash. This advancement facilitates a deeper understanding of fragrance longevity in personal care products, enabling comparative analyses between different products.

OBJECTIF: l'objectif de cette étude est de développer et d'optimiser une méthode d'évaluation de la persistance du parfum résiduel après la toilette du corps, répondant à une exigence significative dans le développement de produits de soins personnels. L'objectif principal est d'établir une technique analytique fiable, sensible et reproductible pour évaluer la longévité des parfums sur la peau après utilisation de produits de toilette pour le corps. METHODES: la microextraction en phase solide de l'espace de tête (HS­SPME) couplée à la chromatographie en phase gazeuse­spectrométrie de masse (GC­MS) est utilisée pour analyser les parfums résiduels. Nous étudions l'efficacité de l'extraction de diverses fibres SPME et nous comparons différentes méthodes d'échantillonnage des senteurs émises par la peau, y compris le stripping sur ruban adhésif et les entonnoirs en verre scellés. Une procédure contrôlée de lavage du corps est mise en place pour standardiser le processus de nettoyage. RÉSULTATS: nos résultats indiquent que l'écart­type relatif pour mesurer cinq parfums distincts se situe dans la plage de 3% à 14%, ce qui souligne la précision de la méthode. Une variance notable existe dans l'efficacité d'extraction des parfums utilisant différents types de fibres de SPME, certaines présentant plus d'un triplement de différence. En outre, la méthode de l'entonnoir en verre pour la collecte des parfums démontre une sensibilité au galaxolide 11,7 fois supérieure à celle de la méthode de stripping sur ruban adhésif. Les parfums résiduels avec des notes de fond comme principaux composants peuvent être détectés sur la peau jusqu'à 24 h après le lavage du corps. CONCLUSION: la méthode optimisée pour l'évaluation du parfum résiduel développée dans cette étude offre un outil fiable pour analyser les composants du parfum persistant sur la peau jusqu'à 24 heures après le lavage. Cette avancée offre une meilleure compréhension de la longévité des parfums dans les produits de soins personnels, permettant des analyses comparatives entre les différents produits.

Insects' perception and behavioral responses to plant semiochemicals.

Insect-plant interactions are shaped by the exchange of chemical cues called semiochemicals, which play a vital role in communication between organisms. Plants release a variety of volatile organic compounds in response to environmental cues, such as herbivore attacks. These compounds play a crucial role in mediating the interactions between plants and insects. This review provides an in-depth analysis of plant semiochemicals, encompassing their classification, current understanding of extraction, identification, and characterization using various analytical techniques, including gas chromatography-mass spectrometry (GC-MS), liquid chromatography-mass spectrometry (LC-MS), nuclear magnetic resonance (NMR) spectroscopy, and infrared (IR) spectroscopy. The article also delves into the manner in which insects perceive and respond to plant semiochemicals, as well as the impact of environmental factors on plant odor emission and insect orientation. Furthermore, it explores the underlying mechanisms by which insects perceive and interpret these chemical cues, and how this impacts their behavioral responses, including feeding habits, oviposition patterns, and mating behaviors. Additionally, the potential applications of plant semiochemicals in integrated pest management strategies are explored. This review provides insight into the intricate relationships between plants and insects mediated by semiochemicals, highlighting the significance of continued research in this field to better understand and leverage these interactions for effective pest control.

Exploring geography and evolutionary history as drivers of variation in floral scent chemistry in western sessile-flowered Trillium using parsimony-constrained phylogenetics.

BACKGROUND AND AIMS: The sessile-flowered Trillium species from western North America have been challenging to distinguish morphologically due to overlapping characters and intraspecific variation. Molecular phylogenetic analyses, currently inconclusive for this group, have not sampled multiple populations of the different species to account for this. Here, we query the diversity of floral volatile composition to understand its bearings on the taxonomy, distribution and evolution of this group. METHODS: We explored taxonomic and geographic patterns in average floral volatile composition (105 different compounds) among 42 wild populations of four sessile-flowered Trillium species and the outgroup, Pseudotrillium, in California, Oregon and Washington by means of parsimony-constrained phylogenetic analyses. To assess the influence of character construction, we coded compound abundance in three different ways for the phylogenetic analyses and compared the results with those of statistical analyses using the same dataset and previously published statistical analyses. KEY RESULTS: Different codings of floral volatile composition generated different phylogenetic topologies with different levels of resolution. The different phylogenies provide similar answers to taxonomic questions but support different evolutionary histories. Monophyly of most populations of each taxon suggests that floral scent composition bears phylogenetic signal in the western sessile-flowered Trillium. Lack of correlation between the distribution of populations and their position in scent-based phylogenies does not support a geographic signal in floral scent composition. CONCLUSIONS: Floral scent composition is a valuable data source for generating phylogenetic hypotheses. The way scent composition is coded into characters is important. The phylogenetic patterns supported by floral volatile compounds are incongruent with previously reported phylogenies of the western sessile-flowered Trillium obtained using molecular or morphological data. Combining floral scent data with gene sequence data and detailed morphological data from multiple populations of each species in future studies is needed for understanding the evolutionary history of western sessile-flowered Trillium.

The impact of time and storage conditions on samples containing OC pepper sprays on the quantitative ratios of capsaicinoids.

Pepper sprays of the OC type constitute the majority of self-defense sprays available on the market. The active ingredient in these preparations is pepper extract: Oleoresin Capsicum, which contains capsaicinoids - natural compounds with irritant properties. Preparations from OC pepper sprays can be distinguished based on differences in the quantitative ratios of four main capsaicinoids: capsaicin, dihydrocapsaicin, nordihydrocapsaicin, and nonivamide. This raises the question whether information on the quantitative ratios of capsaicinoids can also provide answers to questions regarding comparisons of traces of OC preparations, such as whether traces revealed on the clothing of the victim could originate from an OC spray secured from the suspect, or whether traces on the clothing of the suspect and the victim could come from the same pepper spray. Such comparisons would be viable only if the capsaicinoid profile remained unchanged during evidence storage and as a result of solvent extraction from the tested material. The aim of the presented research was to determine if this is indeed the case. Model aging experiments were conducted to examine whether the capsaicinoid profile in traces of OC preparations changed over time and whether solvent extraction affected this profile. Samples of five different OC preparations were applied to cotton swabs, which, after the evaporation of volatile solvents, were placed in three types of packaging with varying levels of tightness and transparency (tight amber vials, polyethylene bags, paper envelopes). These prepared samples underwent solvent extraction with methanol and analysis using gas chromatography - mass spectrometry, after 28, 84, 147, 196, 252, and 301 days from preparation. The likelihood ratio (LR) was applied as a statistical tool to investigate the data obtained. The LR model was computed using the three variables based on the relative content of nordihydrocapsaicin, nonivamide, and dihydrocapsaicin. The cotton swabs used in the experiments served as a model for both the swabs used by the police for securing liquid evidence and the cotton clothing of individuals sprayed with OC pepper sprays. The findings of the conducted studies suggest that the quantitative relationships of capsaicinoids indeed change over time, both in preparations stored in original containers and in traces of these preparations present on clothing. For traces of OC preparations secured on swabs or present on clothing, these changes are more significant the longer the sample is stored and the less airtight the packaging used.

Metabolic profiling and biomarkers identification in cluster bean under drought stress using GC-MS technique.

INTRODUCTION: The Cluster bean is an economically significant annual legume, widely known as guar. Plant productivity is frequently constrained by drought conditions. OBJECTIVE: In this work, we have identified the untargeted drought stress-responsive metabolites in mature leaves of cluster beans under drought and control condition. METHODS: To analyse the untargeted metabolites, gas chromatography-mass spectrometry (GC-MS) technique was used. Supervised partial least-squares discriminate analysis and heat map were used to identify the most significant metabolites for drought tolerance. RESULTS: The mature leaves of drought-treated C. tetragonoloba cv. 'HG-365' which is a drought-tolerant cultivar, showed various types of amino acids, fatty acids, sugar alcohols and sugars as the major classes of metabolites recognized by GC-MS metabolome analysis. Metabolite profiling of guar leaves showed 23 altered metabolites. Eight metabolites (proline, valine, D-pinitol, palmitic acid, dodecanoic acid, threonine, glucose, and glycerol monostearate) with VIP score greater than one were considered as biomarkers and three metabolite biomarkers (D-pinitol, valine, and glycerol monostearate) were found for the first time in guar under drought stress. In this work, four amino acids (alanine, valine, serine and aspartic acid) were also studied, which played a significant role in drought-tolerant pathway in guar. CONCLUSION: This study provides information on the first-ever GC-MS metabolic profiling of guar. This work gives in-depth details on guar's untargeted drought-responsive metabolites and biomarkers, which can plausibly be used for further identification of biochemical pathways, enzymes, and the location of various genes under drought stress.

The effects of F-500 Encapsulator Agent on canine alerts and laboratory analysis using passive headspace concentration and gas chromatography-mass spectrometry.

F-500 Encapsulator Agent (EA) is a fire suppression agent that is an alternative to traditional firefighting foams. It is marketed as having the capability to act on all four parts of the fire tetrahedron as well as being environmentally friendly and non-toxic. An internal survey of the use of F-500 EA by fire departments encountered by the Bureau of Alcohol, Tobacco, Firearms and Explosives (ATF) ignitable liquid detection canine (ILDC) handlers in 2022 showed that this product is not yet in widespread use across the country, but where it has been implemented, it is frequently utilized on a variety of types of fires. Additional agencies are researching the product to determine if it should be adopted. As this product appears to be growing in popularity, it is important to understand whether the use of the product would affect a canine's ability to detect ignitable liquids or a forensic laboratory's ability to identify the presence of an ignitable liquid. Burned wood and burned carpet, two commonly encountered substrates, were spiked with gasoline or a heavy petroleum distillate (HPD) and F-500 EA was applied. At various time intervals, ILDC teams surveyed the samples and laboratory analysis was conducted. Results showed that the presence of F-500 EA can negatively affect canine alerts and the laboratory's ability to identify ignitable liquids.

Tetrazine-based dynamic covalent polymers as degradable extraction materials in sample preparation.

BACKGROUND: Current trends in Analytical Chemistry are highly focused on the introduction of new extraction materials with a high selectivity towards the target analytes, high extraction capacity as well as sustainable characteristics. In this context, the introduction of smart materials able to respond to an external stimulus constitutes a promising approach in the field. However, investigations regarding the development of such stimuli-responsive polymers have been basically centered on their synthesis and the control of their properties, and hardly on exploiting such properties to generate polymers that, once their extraction function is fulfilled, they can be degraded into fragments with little or negligible toxicity, or even into their constituent monomers for an efficient recycling. RESULTS: The applicability of a degradable and recyclable dynamic covalent polymer based on the use of tetrazine as a linker was assessed as sorbent for the extraction of a group of 37 persistent organic pollutants, including 10 polycyclic aromatic hydrocarbons, 11 organochlorine pesticides, 14 polychlorinated biphenyls, and 2 antibacterial agents, from water samples. A microdispersive solid-phase extraction procedure was developed for the selective extraction of the target analytes, while their separation, determination, and quantification were achieved by gas chromatography coupled to mass spectrometry. The optimized procedure was validated for seawater and wastewater obtaining mean relative recovery values between 72 and 112 % for almost all the analytes, with satisfactory relative standard deviation values (<18 %). After extraction, the polymer could be degraded by adding the amino acid L-tyrosine, being possible a quantitative recovery of the initial functional monomer. SIGNIFICANCE: A responsive polymer based on the chemical versatility of the tetrazine ring was used as sorbent in sample preparation providing excellent results, showing good physicochemical properties and the ability to be degraded after use. This polymer constitutes an interesting alternative to reduce chemical waste through the recycling of monomers, contributing to the development of more sustainable analytical methodologies.

Long-term escape behavior and release mechanism of organic emissions from asphalt materials.

In the context of carbon neutrality and carbon peaking, investigating the long-term escape behavior and release mechanism of organic emissions from asphalt materials can contribute to the development of environmentally sustainable asphalt pavements. In this study, the long-term emission behavior and release mechanism of organic emissions from asphalt materials were unraveled by combining the headspace gas chromatography-mass spectrometry (HS-GC-MS), differential scanning calorimetry (DSC), fluorescence microscopy (FM), and Fourier transform infrared spectroscopy (FTIR) tests. The results demonstrate that the pressure aging vessel (PAV) test and the ultraviolet (UV) aging test can result in a notable reduction in the concentration of organic emissions from asphalt materials, respectively. This indicates that asphalt pavements can potentially release a substantial quantity of organic emissions during their long-term service life. Besides, the aging mechanism of asphalt materials is established to unravel the release mechanism of organic emissions from asphalt materials. Aging increases the probability of organic emissions being released and volatilized from asphalt materials, which leads to the organic emissions from asphalt materials being more likely to be released and volatilized. Consequently, the aging process facilitates a greater release and volatilization of organic emissions from asphalt materials, resulting in a decrease in the detected concentration of these emissions after aging.

Discrepancies between the stated contents and analytical findings for electronic cigarette liquid products: Identification of the new cannabinoid, Δ9-tetrahydrocannabihexol acetate.

A number of synthetic cannabinoids have been appearing in the recreational drug market for more than a decade. Recent additions are so-called semi-synthetic cannabinoids, and they structurally closely resemble the main psychoactive component of cannabis, Δ9-tetrahydrocannabinol. Knowledge of new (semi-)synthetic cannabinoids is essential to help identify them in authentic forensic case samples. Therefore, the aim of the study was to examine two commercially available electronic cigarette liquid products claiming to contain cannabinoids and characterize the structures of the main compounds. The liquid products were analyzed by gas chromatography-mass spectrometry (GC-MS), GC-quadrupole time-of-flight mass spectrometry (GC-QTOF-MS), and liquid chromatography-high-resolution mass spectrometry (LC-HRMS). In product A, typical cannabinoids (cannabidiol, cannabigerol, and cannabinol) and terpenes (α-caryophyllene and ß-caryophyllene) were identified by comparison with reference materials. An unknown peak was isolated by semi-preparative high-performance LC, analyzed by nuclear magnetic resonance (NMR) spectroscopy, and identified to be Δ9-tetrahydrocannabihexol acetate (Δ9-THCH-O). To the authors' knowledge, this is the first report of the identification of Δ9-THCH-O in commercially available products. Another compound estimated as cannabihexol acetate was also detected. In product B, cannabidiol, cannabinol, α-caryophyllene, and ß-caryophyllene were identified, while two unknown peaks were estimated as tetrahydrocannabidiol isomers. Despite products A and B being labeled to contain "60% HHCPM" and "80% 10-OH-HHC," respectively, no such compounds were detected. The findings of this study could help detect Δ9-THCH-O in case samples and highlight the need to keep monitoring commercial products to identify new drugs, while warning that the package labels cannot be trusted.

Profiling the volatile compounds of Peganum harmala L. Based on multiple sample preparation coupled with gas chromatography-mass spectrometry analysis and explored its antidepressants-like activity.

Peganum harmala L., a traditional medicinal plant in China, is renowned for its significant alkaloid content in seeds and roots exhibiting a wide range of pharmacological activities, including antidepressant, antiseptic, and antiviral. However, the volatile composition of the herb remained unclear. Apart from that, the extraction of volatile compounds through essential oil presents challenges due to the low yield and the degradation of volatile active compounds at high temperatures. This study used multiple sample preparation methods including headspace (HS), needle trap device (NTD), and liquid-liquid extraction (LLE) coupled with gas chromatography-mass spectrometry (GC-MS) to analyze the volatile compounds from the areal part of P. harmala L.. A total of 93 compounds were identified with NTD facilitating the first detection of harmine among the volatile organic compounds. Through network pharmacology and protein interaction analysis, the compounds' potential therapeutic targets of the compounds were explored, and 23 key targets were obtained (AKT1, ALB, PTGS2, MAOA, etc). KEGG pathway enrichment analysis indicated significant involvement in neuroactive ligand-receptor interactions and serotonergic synapses. The results enhanced the understanding of P. harmala's pharmacological mechanisms and supported its ethnopharmacological use.

Identification of floral aroma components and molecular regulation mechanism of floral aroma formation in Phalaenopsis.

BACKGROUND: Most Phalaenopsis cultivars have almost no aroma, with a few exceptions. Phalaenopsis presents significant challenges in fragrance breeding due to its weak aroma and low fertility. It is therefore necessary to identify the aroma components and key regulatory genes in Phalaenopsis cultivars like 'Orange Beauty', 'Brother Sara Gold', 'Purple Martin', 'H026', 'SK16', 'SX098', and 'SH51', to improve the aroma of the common Phalaenopsis. RESULTS: Floral aroma components were tested on nine Phalaenopsis species, using smell identification and headspace gas chromatography-mass spectrometry. The result showed that alcohols, esters, and alkenes were the key specific components in the different species and cultivar aromas and the aroma intensity and component content of cultivars with different colors were different. The main components of the floral aromas in Phalaenopsis were alcohols (including eucalyptol, linalool, citronellol, and 1-hexanol), esters (including hexyl acetate, leaf acetate, and dibutyl phthalate), alkenes (including pinene and sabinene) and arenes (like fluorene). The transcriptome of flowers in the bud stage and bloom stage of P. 'SH51' was sequenced and 5999 differentially expressed genes were obtained. The contributions of the phenylpropionic acid/phenyl ring compound and the terpene compound to the aroma were greater. Sixteen genes related to phalaenopsis aroma were found. TC4M, PAL, CAD6, and HR were related to phenylpropanoid synthesis pathway. SLS, TS10, and P450 were related to the synthesis pathway of terpenes. TS10 and YUCCA 10 were involved in tryptophan metabolism. CONCLUSION: This is the first report on the floral aroma components and regulatory genes in Phalaenopsis. The proposed method and research data can provide technical support for Phalaenopsis breeding. © 2024 Society of Chemical Industry.

Sequential Fermentation in Red Wine cv. Babic Production: The Influence of Torulaspora delbrueckii and Lachancea thermotolerans Yeasts on the Aromatic and Sensory Profile.

This research aimed to analyze the impact of two different non-Saccharomyces yeast species on the aromatic profile of red wines made from the cv. Babic (Vitis vinifera L.) red grape variety. The grapes were obtained from two positions in the Middle and South of Dalmatia. This study compared a control treatment with the Saccharomyces cerevisiae (Sc) strain as a type of sequential inoculation treatment with Lachancea thermotolerans (Lt x Sc) and Torulaspora delbrueckii (Td x Sc). The focus was on the basic wine parameters and volatile aromatic compound concentrations determined using the SPME-Arrow-GC/MS method. The results revealed significant differences in cis-linalool oxide, geraniol, neric acid, and nerol, which contribute to the sensory profile with floral and rose-like aromas; some ethyl esters, such as ethyl furoate, ethyl hexanoate, ethyl lactate, ethyl 2-hydroxy-3-methylbutanoate, ethyl 3-hydroxy butanoate, diethyl glutarate, and diethyl succinate, contribute to the aromatic profile with fruity, buttery, overripe, or aging aromas. A sensory evaluation of wines confirmed that Td x Sc treatments exhibited particularly positive aromatic properties together with a more intense fullness, harmony, aftertaste, and overall impression.

Determination of eleven components in rat plasma by UPLC-MS/MS and GC-MS for pharmacokinetic studies after oral administration of Citri Reticulatae Pericarpium extract.

Citri Reticulatae Pericarpium (CRP) is used as common health-care food and traditional Chinese medicine (TCM), which exerts pharmacological effects, such as anti-cardiovascular, anti-tumor, anti-oxidant, anti-inflammatory, anti-virus, hepatoprotective, blood pressure-lowering and neuroprotective. In this study, reliable, and sensitive ultra-high performance liquid chromatography/tandem mass spectrometry (UPLC-MS/MS) and gas chromatography-mass spectrometry (GC-MS) methods were developed and validated for the determination of eleven active components in rat plasma after oral administration of the CRP extract. The results of this method exhibited that the specificity, linearity (r > 0.999), precision and accuracy (the coefficient of variation (CV) < 11.5 %), recovery (52.9-107.9 %), matrix effects (63.8-107.5 %), and stability (CV < 10.8 %) met all requirements for the quantitation of plasma samples. The pharmacokinetic results showed that the Tmax of flavone glycosides was less than 0.7 h, and that of polymethoxyflavones and volatile components were within 1-7 h. Meanwhile, the area-under-the-curve (AUC) and concentration maximum (Cmax) of hesperidin, nobiletin, tangeretin, and D-limonene were higher than those of the other components, suggesting that the plasma exposure levels of these constituents were higher in CRP. The present research lays a foundation for elucidating the therapeutic material basis and provides a reference for further scientific research and clinical application of CRP.