Gas Chromatography Coupled To Mass Spectrometry Research Articles

Interest of toxicological analysis in patients admitted to a pediatric emergency department

Objective: Evaluate the interest of toxicology screening in the management of patients in a pediatric emergency department, by assessing its diagnostic utility. Patients and Methods: This is a retrospective cross-sectional study conducted over two years in the Emergency Department of the Abderrahim Harouchi Mother and Child Hospital, of the Ibn Rochd University Hospital in Casablanca, Morocco. We included all children who underwent qualitative toxicological screening by Gas Chromatography coupled with Mass Spectrometry (GC/MS). A descriptive analysis was conducted on the clinical and toxicological characteristics of the patients. The contingency test allowed us to compare the context of the toxicological screening request and its diagnostic utility. Results: Eighty-seven children were included, with a Male-to Female sex ratio of 1.2. The age of the patients ranged from 1 month to 14 years, with a median of three years. Among the included population, 119 screenings were performed. Drugs were implicated in 27 cases, while 4 pesticide intoxications were found, including carbofuron, chloralose, methomyl and terbucarb, along with 2 cannabis intoxications. A proportion of 88% of screening requests, made in the absence of clinical guidance, turned out to be positive, accounting for 31% (24 cases out of 77) (p<0.001). Conclusion: Toxicological analysis is a valuable tool to assist the clinician in managing intoxications by confirming or excluding the toxic hypothesis. However, toxicological analysis can only be useful and effective, avoiding analytical pitfalls, in the presence of dialogue between the clinician and the analyst.

Valorisation of essential oil of Eucalyptus populifolia Desf, Eucalyptus woollsiana and Eucalyptus exserta for agro-industrial purposes

ABSTRACT Forest species are characterized by their wealth of essential oils (EOs), which play key requested for alternative control methods against weeds, fungi and pests. This study reports the chemical composition and highlight the antioxidant, antifungal and phytotoxic properties of the EOs obtained from Eucalyptus populifolia Desf, Eucalyptus woollsiana and Eucalyptus exserta. The EOs were analyzed by gas chromatography coupled to mass spectrometry (GC/MS). Their antioxidant, antifungal and phytotoxic properties were investigated. All EOs displayed a specific richness in eucalyptol (75.94-7.01%), camphene (6.97-0.4%) globulol (5.20-5.83%) and α-pinene (0.71-12.82 %). EOs isolated from E. populifolia exhibited significant antioxidant activity. Furthermore, all investigated EOs displayed significant antifungal properties against four phytopathogenic fungi belonging to Fusarium genus. The phytotoxic activity against five weeds showed varying effectiveness on seed germination and seedling growth, which exhibited greater effectiveness compared to glyphosate. Eucalyptus EOs have the potential to be used in the formulation of biopesticides.

Development of a dispersive liquid-liquid microextraction method for the evaluation of maternal-fetal exposure to cocaine employing human umbilical cord tissue.

Illicit drug use is a serious and complex public health problem, not only due to the severity of the health damage but also to the social implications, such as marginalization and drug trafficking. Currently, cocaine (COC) is among the most abused drugs worldwide with about 22 million users. Drug abuse has also been found in women during the pregnancy period, which has shed light on a new group for epidemiology. The diagnosis of COC use in these cases usually depends largely on the mother's reports, which in several cases omit or deny consumption. Therefore, considering physical-chemical methods of sample preparation and exposure biomarkers, the development of analytic toxicological methods can help to confirm drug use during pregnancy. Thus, the objective of the present work was to develop an analytical method based on dispersive liquid-liquid microextraction (DLLME) for the determination of COC analytes, using umbilical cord tissue as an alternative biological matrix, and detection by gas chromatography coupled to mass spectrometry (GC-MS). Therefore, after optimization, the DLLME method was fully validated for quantification of COC, benzoylecgonine (BZE), cocaethylene (CE), ecgonine (ECG), ecgonine methyl ester (EME) and norcocaine (NorCOC). The limits of detection were between 15 and 25 ng/g, the limits of quantification (LOQ) were 30 ng/g for ECG, and 25 ng/g for the other analytes. Linearity ranged from the LOQ to 1,000 ng/g. Coefficients of variation for intra-assay precision were <18.5%, inter-assay was <8.75%, and bias was <16.4% for all controls. The developed method was applied in 10 suspected positive samples, based on the mother's report and maternal urine screening and confirmation. COC, BZE, ECG, and EME were quantified in 4 umbilical cords with concentrations that ranged from 39.6 to 420.5 ng/g.

Adulticidal Activities and Synergistic Effects of Citrus Aurantiifolia Peels and Hyptis spicigera Leaves Essential Oils against Anopheles gambiae s.l. (Diptera: Culicidae)

Research on new plant-based insecticides meets the need for an alternative to address mosquito resistance to synthetic insecticides. This study assessed the adulticidal activity and synergistic effects of essential oils (EOs) from Citrus aurantiifolia peels and Hyptis spicigera leaves on female adults of Anopheles gambiae s.l. The extraction yields were on the order of 0.17 and 0.11%, respectively, for C. aurantiifolia and H. Spicigera EOs obtained by hydrodistillation. The phytochemical composition of the EOs was analysed by Gas Chromatography coupled with Mass Spectrometry (GC-MS). GC-MS revealed that the essential oils of C. aurantiifolia and H. spicigera contained high amounts of monoterpene compounds (100% and 77.45%, respectively). Adulticidal activity was assessed using WHO and CDC bottle bioassays at concentrations of 2.5, 5, 7.5 and 10 mg/ml/btl. The EOs of both plants caused significant concentration-dependent Knock down and adulticidal activities. Individually, H. spicigera EOs had more adulticidal effects (LC50 = 4.42 mg/ml/btl) than did C. aurantiifolia EOs (LC50 = 6.79 mg/ml/btl). An EO mixture 25%Ca + 75%Hs from C. aurantiifolia and H. spicigera had synergistic effects (CI = 142.84; SF = 1.42) on female Anopheles gambiae adults. Combinations of the two plant EOs considerably optimize their insecticidal effectiveness.

Novel Study on Chemical Characterization and Antimicrobial, Antioxidant, and Anticholinesterase Activity of Essential Oil from Ecuadorian Bryophyte Syzygiella rubricaulis (Nees) Stephani.

Our research focuses on exploring the chemical composition and some biological properties of the essential oil derived from Syzygiella rubricaulis (Nees) Stephani, a bryophyte species. To conduct a comprehensive analysis, we utilized a DB5MS capillary column along with gas chromatography coupled to mass spectrometry (GC-MS) and flame ionization (GC-FID). The qualitative and quantitative examination revealed the presence of 50 compounds, with hydrocarbon sesquiterpenes (48.35%) and oxygenated sesquiterpenes (46.89%) being the predominant constituents. Noteworthy compounds identified include bicyclogermacrene (12.004%), cedranone <5-> (9.034%), spathulenol (6.835%), viridiflorol (6.334%), silphiperfol-5,7(14)-diene (6.216%), biotol <β-> (6.075%), guaiol (4.607%), viridiflorene (4.65%), and α-guaienol (3.883%). Furthermore, we assessed the antimicrobial, antioxidant, and anticholinesterase activity of the essential oil, revealing a compelling inhibitory effect against acetylcholinesterase (AChE) with an IC50 value of 26.75 ± 1.03 µg/mL and a moderate antimicrobial (MIC 500 µg/mL, Enterococcus faecium, Lysteria monocytogenes) and antioxidant effect (ABTS: SC50 343.38 and DPPH 2650.23 µg/mL). These findings suggest the potential therapeutic application of the bryophyte essential oil in the treatment of Alzheimer's disease due to its potent anticholinesterase properties.

Analysis of the chemical constituents of Myrcia glomerata G.Burton &amp; E.Lucas leaves and assessment of their antimicrobial, antioxidant, and antibiofilm potential against pathogenic microorganisms

The Myrtaceae family plays a significant role in the Angiosperm landscape in Brazil, standing out as one of the most relevant. Within this context, the genus Myrcia ranks as the fourth largest, and its plant extracts and essential oils from these species are recognized as a valuable source of plant bioactives. In this context, Myrcia glomerata, popularly known as guamirim, stands out. Despite belonging to the Myrtaceae family, there is a lack of detailed research on its biological activities and chemical composition. The phytochemical investigation of the different plant extracts: ethanolic (EE), methanolic (ME), hexane (HE), acetone (AE), ethyl acetate (EAE) and dichloromethane (DE) revealed the presence of saponins, free steroids, alkaloids, anthocyanins, anthocyanidins, flavones, flavonols, xanthones, chalcones, aurones, flavononols and tannins, leading to the quantification of phenolic compounds (flavonoids, tannins, and alkaloids). The essential oil of the leaves, identified by gas chromatography coupled to mass spectrometry (GC-MS) identified 29 compounds, corresponding to 97.54% of the total area of the essential oil of M. glomerata. The main compounds found were sesquiterpenes, Elemicin (76.85%), Elixene (3.99%), E-caryophyllene (2.25%). EE showed the best antimicrobial potential, with concentrations ranging from 0.39 to 25 mg.mL-1, with Staphylococcus aureus and Proteus mirabilis strains being more susceptible in EE, ME and AE, showing 98.72%, 96.23% and 88.60% antioxidant activity, respectively. As for the antibiofilm potential, ME showed the greatest biomass reduction (90.53%) for Salmonella enterica Typhimurium, with cell viability of 9.02%. These results demonstrate the potential of EE and ME extracts from M. glomerata, representing a possible source of natural bioactives to be used in pharmaceuticals for the control of resistant microorganisms.

Bacteria associated with Parthenium hysterophorus root exudate influence olfactory oviposition responses of Anopheles gambiae

IntroductionPreviously, we documented that the malaria vector Anopheles gambiae responds to volatile emissions from the root exudate water of the invasive plant, Parthenium hysterophorus. However, the origin of the volatiles remains to be investigated. Here, we isolated bacteria from the root exudate water of the plant, test the influence of their volatiles in gravid An. gambiae oviposition, and examined relationships between volatile profiles and oviposition.MethodsBacteria from root exudate water of P. hysterophorus were isolated using culture on Luria Bertani medium and identified by sequencing the 16S rRNA gene. Cultures of individual isolates were evaluated for egg laying response by gravid An. gambiae and number of eggs laid compared using generalized linear models relative to those in crude bacteria-mixture. Headspace volatile emissions of the bacterial isolates were analyzed by gas chromatography coupled to mass spectrometry (GC-MS) and relationships between volatile organic compound (VOC) profiles and gravid mosquito oviposition examined using Random Forest Analysis. Proximate analysis was performed to assess the difference in volatile chemistry among the different isolates.ResultsThree isolates were identified as Gram-negative bacteria belonging to two families: Enterobacteriaceae (Enterobacter sp. and Enterobacter mori) and Alcaligenaceae (Alcaligens aquatilis). An. gambiae laid 3-fold more eggs in cultures of A. aquatilis than in those of Enterobacter sp. In turn, approx. 4-fold more eggs were laid in cultures of E. mori than A. aquatilis. Overall, 16 VOCs were identified in the headspace of the isolates belonging to the chemical classes benzenoids, pyrazines, aldehydes, terpenes, alcohols, alkanes, and indoles. Random Forest Analysis identified 10 compounds contributing the most to the attraction of odors of the bacteria isolates to oviposition. Specifically, dodecane and indole were emitted in higher amounts in odors of Enterobacter sp than the other two species. Proximate analysis revealed differential attraction of the isolates on the gravid mosquito to be associated with their volatile profiles.ConclusionOur results provide first report of E. mori or A. aquatilis mediating attractive oviposition responses in An. gambiae in support of the important role microbes play in insect oviposition. The potential use of the microbes and associated volatiles in malaria vector management needs further investigation.

Electrophysiological and Behavioral Responses of Cabbage Aphid (Brevicoryne brassicae) to Rosemary (Rosmarinus officinalis) Volatiles, a Potential push Plant for Vegetable push-pull Cropping System.

The cabbage aphid (Brevicoryne brassicae) is a major pest of kale (Brassica oleraceae var. acephala), an important vegetable that is grown worldwide due to its high nutritional and economic value. Brevicoryne brassicae poses a great challenge to B. oleraceae var. acephala production, causing significant direct and indirect yield losses. Farmers overly rely on synthetic insecticides to manage the pest with limited success owing to its high reproductive behavior and development of resistance. This necessitates a search for sustainable alternatives to mitigate these challenges. This study assessed behavioral responses of B. brassicae to odors from rosemary (Rosmarinus officinalis) and B. oleraceae var. acephala headspace volatiles in a Perspex four-arm olfactometer. We identified and quantified volatiles emitted by each of the two plants and those eliciting antennal response using coupled gas chromatography-mass spectrometry (GC-MS) and GC-electroantennograhic detection(GC-EAD), respectively. Our findings revealed that B. brassicae spent more time in the arms of the olfactometer that contained B. oleraceae var. acephala volatiles compared to the arm that held R. officinalis volatiles. Additionally, B. brassicae spent more time in the olfactometer arms with B. oleracea var. acephala compared to the arms holding B. oleracea var. acephala and R. officinalis enclosed together and clean air. GC-MS analysis revealed diverse and higher quantities of volatile compounds in R. officinalis compared to B. oleraceae var. acephala. GC-EAD analysis showed that antennae of B. brassicae detected Linalool, α-Terpineol, Verbenone, Geraniol, Camphor, and Borneol from the volatiles of R. officinalis, and Sabinene, γ-Terpinene, and β-Caryophyllene from B. oleraceae var. acephala volatiles.Our findings demonstrate the potential of R. officinalis as a repellent plant against B. brassicae and could be utilized as a 'push' plant in an intercropping strategy against this pest.

Catch me if you can-emission patterns of human bodies in relation to postmortem changes.

The present study examines for the first time the emission patterns and olfactory signatures of 9 complete human corpses of different stages of decomposition. Air sampling was performed inside the body bags with solid sorbents and analysed by coupled gas chromatography-mass spectrometry after thermal desorption (TD-GC-MS). Furthermore, odour-related substances were detected by gas chromatography-olfactometry (GC-O). Sulfurous compounds (mainly dimethyl di- and trisulfide) were identified as most important to the odour perception. Around 350 individual organic substances were detected by TD-GC-MS, notably sulfurous and nitrogenous substances as well as branched alkanes, aldehydes, ketones, alcohols, carboxylic acids, carboxylic acid esters and ethers. A range of terpenes was detected for the first time in a characteristic emission pattern over all decomposition stages. Concentrations of the substances varied greatly, and no correlation between the emission patterns, thestage of decomposition and the cause of deathcould be found. While previous studies often analysed pig cadavers or only parts of human tissue, the present study shows the importance of analysing complete human corpses over a range of decomposition stages. Moreover, it is shown that using body bags as a kind of "emission test chamber" is a very promising approach, also because it is a realistic application considering the usual transport and store of a body before autopsy.

Comparative Metabolomic Profiling of Eggs from 3 Diverse Chicken Breeds Using GC-MS Analysis

Eggs, as a crucial source of essential nutrients for consumers, possess a high nutritional value owing to their rich composition of vital components essential for human health. While previous research has extensively investigated genetic factors influencing egg quality, there has been a limited focus on exploring the impact of specific strains, particularly within the African context, on the polar metabolite profile of eggs. In this extensive study, we conducted an untargeted analysis of the chemical composition of both albumen and yolk from 3 distinct strains of hens-Blue Holland, Sasso, and Wassache-raised under identical feeding conditions. Utilizing gas chromatography coupled with mass spectrometry (GC-MS), we meticulously examined amino acids, carbohydrates, fatty acids, and other small polar metabolites. In total, 38 and 44 metabolites were identified in the whites and yolk, respectively, of the 3 studied strains. The application of chemometric analysis revealed notable differences in metabolite profiles with 8 relevant metabolites in each egg part. These metabolites include amino acids (N-α-Acetyl-L-lysine, lysine, L-valine, L-Tryptophan), fatty acids (oleic acid, linoleic acid, palmitic acid and stearic acid), and carbohydrates (d-glucose, maltose, lactose). These findings shed light on strain-specific metabolic nuances within eggs, emphasizing potential nutritional implications. The ensuing discussion delves into the diverse metabolic pathways influenced by the identified metabolites, offering insights that contribute to a broader understanding of egg composition and its significance in tailoring nutritional strategies for diverse populations.

Molecular Docking and GC/MS-Based Approach for Identification of Anxiolytic Alkaloids from Griffinia (Amaryllidaceae) Species in a Zebrafish Model.

Griffinia gardneriana Ravenna, Griffinia liboniana Morren and Griffinia nocturna Ravenna (Amarillydaceae) are bulbous plants found in tropical regions of Brazil. Our work aimed to determine the alkaloid profiles of Griffinia spp. and evaluate their anxiolytic potential through in vivo and in silico assays. The plants grown in greenhouses were dried and their ground bulbs were subjected to liquid-liquid partitions, resulting in alkaloid fractions that were analyzed by gas chromatography coupled to mass spectrometry (GC-MS). Anxiolytic activity was evaluated in zebrafish (Danio rerio) through intraperitoneal injection at doses of 40, 100 and 200 mg/kg in light-dark box test. GC-MS analyses revealed 23 alkaloids belonging to different skeleton types: lycorine, homolychorine, galanthamine, crinine, haemanthamine, montanine and narcisclasine. The chemical profiles were relatively similar, presenting 8 alkaloids common to the three species. The major component for G. gardneriana and G. liboniana was lycorine, while G. nocturna consisted mainly of anhydrolycorine. All three alkaloid fractions demonstrated anxiolytic effect. Furthermore, pre-treatment with diazepam and pizotifen drugs was able to reverse the anxiolytic action, indicating involving the GABAergic and serotonergic receptors. Molecular docking showed that the compounds vittatine, lycorine and 11,12-dehydro-2-methoxyassoanine had high affinity with both receptors, suggesting them to be responsible for the anxiolytic effect.

In Vitro Antimycotic Activity and Structural Damage against Canine Malassezia pachydermatis Strains Caused by Mexican Stingless Bee Propolis.

This work describes the antimycotic activity of propolis from the stingless bees Scaptotrigona mexicana and Tetragonisca angustula, collected from two Mexican regions (Veracruz and Chiapas, respectively), against three clinical isolates and the reference strain ATCC 14522 of Malassezia pachydermatis, the causative agent of canine otitis. The chemical components of the ethanolic extracts of propolis were determined by gas chromatography coupled with mass spectrometry (GC-MS), and sesquiterpenes were the predominant compounds. The antimycotic activity was evaluated by plate microdilution. The induced changes in the yeasts were evaluated by fluorescence microscopy and staining with calcofluor white and propidium iodide. The minimum inhibitory concentration (MIC) was 7.11 mg/mL, and the minimum fungicidal concentration was 21.33 mg/mL for both extracts. The EPPs of Scaptotrigona mexicana and Tetragonisca angustula caused substantial damage to yeast morphology, where the propidium iodide staining of the yeasts treated with both EEPs revealed the penetration of this marker, which indicates the destruction of the cell wall and plasma membrane of the fungi. This result suggests that these types of propolis could be used as alternative treatments for canine external otitis. To the best of our knowledge, this seems to be the first scientific report that has demonstrated structural damage in Malassezia pachydermatis by Mexican stingless bee propolis.

Drought induces moderate, diverse changes in the odour of grassland species

Plants react to drought stress with numerous changes including altered emissions of volatile organic compounds (VOC) from leaves, which provide protection against oxidative tissue damage and mediate numerous biotic interactions. Despite the share of grasslands in the terrestrial biosphere, their importance as carbon sinks and their contribution to global biodiversity, little is known about the influence of drought on VOC profiles of grassland species. Using coupled gas chromatography-mass spectrometry, we analysed the odorants emitted by 22 European grassland species exposed to an eight-week-lasting drought treatment (DT; 30% water holding capacity, WHC). We focused on the odorants emitted during the light phase from whole plant shoots in their vegetative stage. Emission rates were standardised to the dry weight of each shoot. Well-watered (WW) plants (70% WHC) served as control. Drought-induced significant changes included an increase in total emission rates of plant VOC in six and a decrease in three species. Diverging effects on the number of emitted VOC (chemical richness) or on the Shannon diversity of the VOC profiles were detected in 13 species. Biosynthetic pathways-targeted analyses revealed 13 species showing drought-induced higher emission rates of VOC from one, two, three, or four major biosynthetic pathways (lipoxygenase, shikimate, mevalonate and methylerythritol phosphate pathway), while six species exhibited reduced emission rates from one or two of these pathways. Similarity trees of odorant profiles and their drought-induced changes based on a biosynthetically informed distance metric did not match species phylogeny. However, a phylogenetic signal was detected for the amount of terpenoids released by the studied species under WW and DT conditions. A comparative analysis of emission rates of single compounds released by WW and DT plants revealed significant VOC profile dissimilarities in four species only. The moderate drought-induced changes in the odorant emissions of grassland species are discussed with respect to their impact on trophic interactions across the food web. (294 words)

Chemical composition and toxicity of commercial Mentha spicata and Eucalyptus citriodora essential oils on Culex quinquefasciatus and non-target insects.

Current vector control strategies based on synthetic chemicals are not eco-friendly against non-target organisms; hence, alternative approaches are highly required. Commercially purchased oil of Mentha spicata (Spearmint) and Eucalyptus citriodora (Citriodora) were examined against the medical pest Cx. quinquefasciatus (Say) and their non-toxicity on the aquatic species was evaluated. Chemical screening with gas chromatography coupled with mass spectrometry (GC-MS) analysis revealed a total of 14 and 11 compounds in Citriodora and Spearmint oils, respectively, with the highest peak (%) at carvone (70.44%) and isopulegol (30.4%). The larvicidal activity on the fourth instar larvae of Cx. quinquefasciatus showed dose-dependent mortality and significance at a 100ppm concentration 48h post-treatment with Citriodora (76.4%, P ≤ 0.001) and Spearmint (100%, P ≤ 0.001). Additionally, the photomicrograph of the fourth instar larvae revealed significant physical abnormalities in the head and midgut tissues post-exposure to Spearmint and Citriodora oils. Moreover, the histological assay revealed severe damage in the epithelial cells and gut lumen 2 to 24h post-treatment. The repellency percentage of adult Culex mosquitoes was prominent across both oils at 150ppm 210min post-exposure. Non-target toxicity on the aquatic predator showed both essential oils (Spearmint oil (17.2%) and Citriodora oil (15.2%)) are safer at the maximum treatment (200ppm) compared to temephos (75.4% at 1ppm). The in silico screening of phyto-compounds derived by both essential oils with BeeTox (online server) showed no contact toxicity to the honey bee Apis mellifera. Overall, the present research revealed that Spearmint and Citriodora essential oils and their active phyto-compounds were toxic to Cx. quinquefasciatus and harmless to the aquatic predator and honey bee.

Activated carbon from avocado seed as sorbent phase for microextraction technologies: activation, characterization, and analytical performance.

According to green analytical chemistry principles, the use of agricultural byproducts as sorbent phases is an interesting topic due to their lignocellulosic origin, as they are biodegradable and inexpensive. To the best of our knowledge, this is the first study in which avocado seed and avocado seed activated carbon are proposed as sustainable sorbents for solid-phase microextraction technologies, which were used to assess the proof of concept. Rotating disk sorptive extraction (RDSE) was used as a model technology and ibuprofen (Ibu) and 1-hydroxy-ibuprofen (1-OH-Ibu) as representative analytes. It was found that activated carbon (AC) prepared at 600°C with an impregnation ratio (raw material/activating agent (ZnCl2), w/w) of 1:1.2 had better extraction efficiency than other ACs obtained at different temperatures, impregnation ratios, and activating agents (K2CO3). Characterization revealed several differences between natural avocado seed, biochar prepared at 600°C, and selected AC since the typical functional groups of the natural starting material begin to disappear with pyrolysis and increasing the surface area and pore volume, suggesting that the main interactions between analytes and the sorbent material are pore filling and π-π stacking. By using this AC as the sorbent phase, the optimal extraction conditions in RDSE were as follows: the use of 50mg of sorbent in the disk, 30mL of sample volume, pH 4, 90min of extraction time at a rotation velocity of the disk of 2000rpm, and methanol as the elution solvent. The extracts were analyzed via gas chromatography coupled to mass spectrometry (GC-MS). The method provided limits of detection of 0.23 and 0.07µg L-1 and recoveries of 81% and 91% for Ibu and 1-OH-Ibu, respectively. When comparing the extraction efficiency of the selected activated carbon with those provided by Oasis® HLB and C18 in RDSE, nonsignificant differences were observed, indicating that avocado seed activated carbon is a suitable alternative to these commercial materials.

Chemical composition, antimicrobial activity, and antioxidant capacity of Micromeria flagellaris Baker and M. madagascariensis Baker: Two endemic species from Madagascar as sources of essential oils

BackgroundThe aerial parts of Micromeria madagascariensis Baker and M. flagellaris Baker are used by the population of the Vakinankaratra and Itasy regions (Madagascar) to treat breathing difficulty, fever and/or headache, wounds, and sores. PurposeThis work aimed to characterise plant materials from M. madagascariensis and M. flagellaris to report i) chemical composition, ii) antimicrobial properties, and iii) antioxidant capacity of the essential oils extracted from the aerial parts of these species. Materials and methodsThe essential oils from M. madagascariensis (MMO) and M. flagellaris (MFO) were obtained by hydrodistillation. Their chemical composition was quantified using gas chromatography coupled with mass spectrometry (GC-MS). MMO and MFO were also tested against 7 microbial strains using the disk diffusion method and their antioxidant capacity was assessed using the DPPH scavenging assay. ResultsHydrodistillation yielded 0.26% MMO and 0.29% MFO (w/w) in relation to the fresh weight. Twenty-seven compounds were identified by GC-MS in MMO extract against 36 in MFO one. The main compounds in MMO were pulegone (24.67%), trans-menthone (24.67%), eucalyptol (8.12%), β-caryophyllene (4.98%), α-guanene (4.47), iso-menthone (3.85%), iso-pulegone (3.34%), azulene (3.28%) and 2-isopropyl-5-methylcyclohexenone (2.82%). The main compounds in the MFO were eudesma-4,11-dien-2-ol (13.88%), δ-guanene (6.62%), pulegone (6.40%), cyperone (5.56%), 4-epi-dehydrobietinol acetate (5.39%), eucalyptol (5.12%), trans-menthone (4.67%), limonene (3.77%) and sabinene (2.29%). Regarding the chemotaxonomy, M. flagellaris was very different from M. madagascariensis and both species also differed from the other Micromeria species, as confirmed by multivariate statistical analysis. Both MMO and MFO exerted activities against a large microbial spectrum; the antimicrobial activity of MMO was higher than MFO one against S. pneumoniae and C. albicans due to the presence of pulegone as the main component. MFO showed an excellent scavenging capacity with an SC50 value of 2.17 ± 0.03 μg/mL. ConclusionThe biological properties of the essential oils extracted from the selected species may explain their therapeutic value showing that Malagasy Micromeria species may be very important as new natural sources of bioactive compounds. This study may promote the effectiveness and quality of Malagasy Micromeria species, contributing to sustainable development and commercial valorisation of traditional preparations based on natural local resources.

Efficient Capture of Cannabis Terpenes in Olive Oil during Microwave-Assisted Cannabinoid Decarboxylation.

The development of selective extraction protocols for Cannabis-inflorescence constituents is still a significant challenge. The characteristic Cannabis fragrance can be mainly ascribed to monoterpenes, sesquiterpenes and oxygenated terpenoids. This work investigates the entrapment of Cannabis terpenes in olive oil from inflorescences via stripping under mild vacuum during the rapid microwave-assisted decarboxylation of cannabinoids (MW, 120 °C, 30 min) and after subsequent extraction of cannabinoids (60 and 100 °C). The profiles of the volatiles collected in the oil samples before and after the extraction step were evaluated using static headspace solid-phase microextraction (HS-SPME), followed by gas chromatography coupled to mass spectrometry (GC-MS). Between the three fractions obtained, the first shows the highest volatile content (~37,400 mg/kg oil), with α-pinene, β-pinene, β-myrcene, limonene and trans-β-caryophyllene as the main components. The MW-assisted extraction at 60 and 100 °C of inflorescences using the collected oil fractions allowed an increase of 70% and 86% of total terpene content, respectively. Considering the initial terpene amount of 91,324.7 ± 2774.4 mg/kg dry inflorescences, the percentage of recovery after decarboxylation was close to 58% (mainly monoterpenes), while it reached nearly 100% (including sesquiterpenes) after extraction. The selective and efficient extraction of volatile compounds, while avoiding direct contact between the matrix and extraction solvents, paves the way for specific applications in various aromatic plants. In this context, aromatized extracts can be employed to create innovative Cannabis-based products within the hemp processing industry, as well as in perfumery, cosmetics, dietary supplements, food, and the pharmaceutical industry.

Rearing and 60Co radiation do not affect attractiveness but alter the volatile profiles released by Anastrepha obliqua calling males.

Calling males of Anastrepha obliqua release volatile compounds to attract conspecific males to form leks and females to mate. Male volatiles from Mexican and Brazilian populations of A. obliqua have been previously identified. However, there are differences in the number and identity of volatile compounds between the populations. These differences in volatile profiles may be due to male origin (e.g. wild or mass-reared flies) or methodological issues (e.g. sampling techniques). In this study, we evaluated the attractiveness of wild, laboratory non-irradiated, and laboratory-irradiated flies under semi-field conditions. Male volatiles were collected using dynamic headspace sampling (DHS) and solid-phase microextraction (SPME) techniques, and identified using gas chromatography-coupled mass spectrometry. The results showed no difference in the attractiveness of wild, laboratory non-irradiated, and irradiated males to females. However, the number of captured females differed according to the origin; wild and non-irradiated females were captured more frequently than the irradiated flies. A total of 21 compounds were found using SPME, whereas only 12 were collected using DHS, although the relative amounts of these compounds were higher than those obtained using the former sampling technique. In addition, only laboratory non-irradiated males released α-pinene and menthol, which have not been previously reported in this fruit fly species. Additionally, we identified novel compounds in A. obliqua; however, certain compounds previously reported were not detected. This study suggests that despite the qualitative and quantitative variations in the volatile profiles of A. obliqua males, their attractiveness was unaffected.

CG-MS, Radical Scavenging, Acetylcholinesterase Inhibition, Antifungal and Molecular Docking Studies of Essential Oil from the Leaves of Tapirira guianensis Aubl

The species Tapirira guianensis Aubl is used in folk medicine to treat leprosy, diarrhea, and syphilis. The present study aims to evaluate the chemical composition and the antioxidant, anticholinesterase, and antifungal potential of the essential oil from T. guianensis leaves. The plant material was collected at Arco Estadual do Cocó, with prior authorization from the Municipal Environment Department. The essential oil was extracted through the hydrodistillation process with a Clevenger-type apparatus, and the constituents were evaluated through Gas Chromatography coupled to Mass Spectrometry (GC-MS). The antioxidant potential was assessed through free radicals: DPPH (2,2-diphenyl-1-picrylhydrazyl) and ABTS+ (2,2-azinobis(3-ethylbenzothiazoline-6-sulfonic acid)) in a 96-well plate. Antifungal activity was evaluated using the Clinical Laboratory Standards Institute - M38-A protocol (CLSI, 2018). Gas chromatography coupled with mass spectrometry revealed the presence of constituents such as eugenol (59.00%), α-copaene (0.40%), β-caryophyllene (29.91%), α-humulene in T. guianensis. The essential oil demonstrated very promising antioxidant and anticholinesterase potential in In vitro studies. Molecular docking regarding acetylcholinesterase enzyme inhibition revealed that α-copaene has superior action compared to the drug physostigmine. The results of molecular docking for Candida albicans showed that α-copaene and α-humulene interacted in the same binding region as the PepA inhibitor against SAP5. This indicates their action is similar to the aspartic protease inhibitor, in addition to the possibility of a synergistic effect with the drug fluconazole. This is the first study of the biological potential of the essential oil from T. guianensis leaves, thus revealing its high potential for future studies in the scientific community. Therefore, we can infer that the essential oil of T. guianensis is a source of antioxidant, anticholinesterase, and antifungal constituents, with promising therapeutic potential in the management of Alzheimer's disease and Candida infections.

Influence of potassium-based catalysts in the pyrolysis of Caupi bean pod (Vigna unguiculata): bio-oil characterization by gas chromatography coupled with mass spectrometry (GC/MS) and comprehensive two-dimensional gas chromatography (GC × GC/TOFMS)

Influence of potassium-based catalysts in the pyrolysis of Caupi bean pod (Vigna unguiculata): bio-oil characterization by gas chromatography coupled with mass spectrometry (GC/MS) and comprehensive two-dimensional gas chromatography (GC × GC/TOFMS)