Gas Chromatography-mass Spectrometry Analysis Research Articles

Refinement of Retention Indices in Gas Chromatography for a Number of Substituted Phenols

Substituted phenols, including chlorophenols, are important analytes, particularly in the context of environmental analysis. Chlorophenols are formed during the disinfection of drinking water by chlorination and are important water pollutants. Gas chromatography–mass spectrometry (GC-MS) is an important method for the analysis of chlorophenols. Retention indices are used in GC-MS analysis to improve the accuracy of identification. Our research reveals that the retention indices currently available for substituted phenols are erroneous in a number of cases. We report reliable retention index values for pentafluorophenol, 5-methoxy-2-nitrophenol, 4-cyanophenol (stationary phase: 5%-phenyl-polymethylsiloxane), 3-methoxyphenol, 2-chlorophenol, 3-chlorophenol, 4-chlorophenol, 2,3-dichlorophenol, 2,5-dichlorophenol, 2,6-dichlorophenol, 3,4-dichlorophenol, 3,5-dichlorophenol, 2,3,5-trichlorophenol, 2,3,6-trichlorophenol, 2,4,5-trichlorophenol, and 2,4,6-trichlorophenol (stationary phase: polyethylene glycol modified with 2-nitroterephthalic acid). The structures of the standard samples were confirmed, and measurements were performed under various conditions. The analysis of the causes of the incorrect records appearing in the well-known NIST database was also carried out.

Metabolic response of Klebsiella oxytoca to ciprofloxacin exposure: a metabolomics approach

IntroductionRapid detection and identification of pathogens and antimicrobial susceptibility is essential for guiding appropriate antimicrobial therapy and reducing morbidity and mortality associated with sepsis.ObjectivesThe metabolic response of clinical isolates of Klebsiella oxytoca exposed to different concentrations of ciprofloxacin (the second generation of quinolones antibiotics) were studied in order to investigate underlying mechanisms associated with antimicrobial resistance (AMR).MethodsMetabolomics investigations were performed using Fourier-transform infrared (FT-IR) spectroscopy as a metabolic fingerprinting approach combined with gas chromatography-mass spectrometry (GC-MS) for metabolic profiling.ResultsOur findings demonstrated that metabolic fingerprints provided by FT-IR analysis allowed for the differentiation of susceptible and resistant isolates. GC-MS analysis validated these findings, while also providing a deeper understanding of the metabolic alterations caused by exposure to ciprofloxacin. GC-MS metabolic profiling detected 176 metabolic features in the cellular extracts cultivated on BHI broth, and of these, 137 could be identified to Metabolomics Standards Initiative Level 2. Data analysis showed that 40 metabolites (30 Level 2 and 10 unknown) were differentiated between susceptible and resistant isolates. The identified metabolites belonging to central carbon metabolism; arginine and proline metabolism; alanine, aspartate and glutamate metabolism; and pyruvate metabolism. Univariate receiver operating characteristic (ROC) curve analyses revealed that six of these metabolites (glycerol-3-phosphate, O-phosphoethanolamine, asparagine dehydrate, maleimide, tyrosine, and alanine) have a crucial role in distinguishing susceptible from resistant isolates (AUC > 0.84) and contributing to antimicrobial resistance in K. oxtytoca.ConclusionOur study provides invaluable new insights into the mechanisms underlying development of antimicrobial resistance in K. oxytoca suggests potential therapeutic targets for prevention and identification of AMR in K. oxytoca infections.

Phytochemical Profiling and Cytotoxic Potential of Senecio flavus n-Hexane Extract using in vitro and in silico Approaches

Background: Using natural products as potential anticancer and antimicrobial agents has gained significant attention. Methods: This study investigated the anticancer and antimicrobial properties of Senecio flavus by using MTT and well-diffusion assays, respectively. The study also examined the potential of S. flavus extracts to induce apoptosis in liver cancer cells using light and fluorescent microscopy. Gas Chromatography-Mass Spectrometry (GC-MS) was utilized to identify the phyto-compounds, which were subsequently analyzed through molecular docking using AutoDock Vina 1.1.2. Result: The difference in solvent polarity and extraction methods had a notable influence on the yield of the extracts. The saponin fraction had the highest yield (4.42%). Only the hexane extract demonstrated cytotoxic with IC50 values of 241.2 and 187.8 mg/mL for HepG2 and Huh-7 cells, respectively. Apoptotic morphological changes were observed in cells treated with the hexane extract. Additionally, apoptotic cell induction was confirmed using DAPI and AO-EB dual staining. The saponin fraction of S. flavus demonstrated antimicrobial activity, indicated by inhibition zones measuring 19 mm, 27 mm, 13 mm, 17 mm 12 mm against Acinetobacter baumannii (MDR), Acinetobacter baumannii (ATCC® BAA-747), Staphylococcus epidermidis, Staphylococcus aureus Listeria monocytogenes, respectively. GC-MS analysis identified a range of bioactive phyto-compounds within the hexane extract. The compounds (R)-3,5,8a-Trimethyl-7,8,8a,9-tetrahydronaphtho[2,3-b]furan-4(6H)-one and Tricyclo [20.8.0.0 (7,16)]triacontane, 1(22),7(16)-diepoxy- demonstrated the most favourable docking results with 4JAS and 5W1B, respectively, exhibiting a ΔG of -9.7 kcal/mol. This highlights the potential of S. flavus as a promising plant, which requires further investigation and development as a therapeutic agent.

In Vitro Evaluation of the Antifungal Properties of Bixa orellana L. Essential Oil from the Ecuadorian Amazon Against Candida albicans (ATCC 10231)

Essential oils are investigated due to their biological activity, and the Amazon rainforest, with its rich biodiversity, is a promising source of therapeutic compounds. The aim of this study was to evaluate the essential oil from the leaves of Bixa orellana as an antifungal agent, thus contributing to the search for alternatives that can address the growing resistance to conventional antifungals. B. orellana leaves were collected in the Ecuadorian Amazon and their essential oil was obtained by steam distillation. Their chemical composition was analysed by Gas Chromatography-Mass Spectrometry (GC-MS) and their antifungal activity against Candida albicans was evaluated using the Kirby–Bauer disc diffusion method (ATCC 10231), with nystatin as a positive control. GC-MS analysis revealed the presence of 60 compounds, the main ones being dihydroedulan (27.5%), β-caryophyllene (10.3%), nerolidol (7.21%), trans-β-bergamotene (5.73%), α-santalene (4.94%) and trans-α-bergamotene (4.26%). The essential oil showed moderate antifungal activity against C. albicans, producing an inhibition halo of 13 mm in diameter, which is 48% of the inhibition observed with nystatin (27 mm). The presence of sesquiterpenes, such as β-caryophyllene, known for its membrane-disrupting properties, probably contributes to the observed antifungal effects. The study highlights the potential of B. orellana essential oil as a natural antifungal agent; however, further research is required to evaluate its efficacy against a wider range of pathogenic fungi, its possible synergistic effects with conventional antifungals and its safety and efficacy in vivo.

Chemical composition, antimicrobial, and antioxidant properties of essential oils from Artemisia herba-alba asso. and Artemisia huguetii caball. from Morocco: in vitro and in silico evaluation

IntroductionMorocco is home to a remarkable diversity of flora, including several species from the Artemisia genus. This study aims to thoroughly examine the chemical composition of essential oils derived from Artemisia species and assess their antibacterial and antioxidant properties through in vitro experiments and in silico simulations.MethodsSamples of Artemisia herba-alba Asso. were collected from Boulemane and Ifrane in Morocco, while Artemisia huguetii Caball. was sampled from Tata, representing regions of the Central Middle Atlas and Western Anti-Atlas. Essential oils were extracted using hydrodistillation, and their chemical composition was analyzed by gas chromatography-mass spectrometry (GC-MS). Antibacterial and antifungal activities were evaluated, and antioxidant properties were assessed using the DPPH assay. In silico predictions of antibacterial and antioxidant activities were performed using computational models.ResultsThe extraction yields varied depending on the geographical origin, ranging from 1.54% to 2.78%. GC-MS analysis revealed significant differences in the chemical composition of the oils from different Artemisia species and regions, with a notable prevalence of oxygenated monoterpenes. Specifically, the oil from Boulemane was rich in thujone, the oil from Ifrane was predominantly composed of camphor, and the oil from Tata contained both camphor and thujone. The oils exhibited stronger antifungal than antibacterial properties, with Enterobacter cloacae strains showing high sensitivity, with minimum inhibitory concentrations (MIC) of approximately 12.5 mg/mL. The Boulemane oil of A. herba-alba displayed the highest antioxidant activity, effectively inhibiting DPPH at a concentration of 13.501 μg/mL.DiscussionThe in silico simulations predicted that the primary compounds in these essential oils, such as davanone, eucalyptol, camphor, and thujone, would exhibit potent antibacterial and antioxidant properties. These compounds were found to have favorable ADMET characteristics, including good blood-brain barrier permeability, gastrointestinal absorption, and skin penetration. Molecular docking studies revealed strong interactions between these compounds and key target proteins, such as NADPH-dependent catalase and dihydrofolate reductase. The stability of the protein-ligand complexes was confirmed by molecular dynamics, with davanone showing a significant impact. Overall, this study provides a comprehensive understanding of the biological potential of Artemisia essential oils, highlighting davanone as a promising molecule for medicinal or pharmaceutical applications.

Active Components of 16 Essential Oils and Their Fumigation Effects on Galleria mellonella (Lepidoptera: Pyralidae)

The greater wax moth (GWM, Galleria mellonella) is a prevalent pest of the honeybee and a significant risk to both honeybee populations and honeycomb storage. Research on the toxicity of essential oils (EOs) to GWM larvae has provided promising results, although their ovicidal effects and active ingredients require further study. Identifying effective plant compounds is essential for developing insecticides for GWM control. This study assessed the fumigation efficacy of 16 EOs on GWM eggs and fifth instar larvae and determined the effectiveness of these EOs and their primary components for fumigating fifth larvae. Wintergreen, star anise, and clove oils demonstrated significant insecticidal effects on GWM eggs and fifth instar larvae, resulting in a mortality rate exceeding 80% within 48 h. Gas chromatography-mass spectrometry analysis identified methyl salicylate (93.26%), trans-anethole (87.75%), and eugenol (77.75%) as the primary compounds in wintergreen, star anise, and clove oils, respectively. Further toxicity testing confirmed that these compounds were responsible for the observed insecticidal properties of the EOs. Notably, trans-anethole exhibited the lowest LC50 value (25.22 μL/L) against the fifth instar larvae of GWM and significant toxicity against GWM eggs and fifth instar larvae, suggesting its potential as a viable option for the future control of GWM populations.

Co-administration of Ayurvedic medicines Arshogrit and Jatyadi Ghrit, attenuate croton oil-induced hemorrhoids in rat model of recto-anal inflammation by modulating TNF-α and IL-1β levels

Objective To study the efficacy of co-administration of Arshogrit (AG) and Jatyadi Ghrit (JG), two herb-based Ayurvedic medicines, in rat model of croton oil-induced hemorrhoids. Significance Hemorrhoids refer to a pathological condition affecting the recto-anal region causing pain, swelling, bleeding and protrusion. The available therapies for hemorrhoids are symptomatic or invasive but are expensive and associated with adverse effects. Hence, there exists a need for efficacious and safer pharmacotherapies. Methods Ultra high performance liquid chromatography detected nine phytocompounds in AG and seven in JG. Seven fatty acids were additionally identified in JG by Gas Chromatography-Mass Spectrometry analysis. The in-vivo efficacy of the co-administration of AG, which was administered orally at the doses of 20, 60 and 200 mg/kg/day and JG, which was topically applied (100 mg/animal/day) was evaluated in Wistar rats by inducing hemorrhoids development with the application of croton oil preparation (COP) in the recto-anal area. Prednisolone was employed as the standard drug and was administered orally at the dose of 1 mg/kg/day. Results AG and JG were able to attenuate the croton oil-induced macro and microscopic anomalies. Gross pathological observation demonstrated remarkable decrease in croton oil-induced swelling, hemorrhage and formation of pseudomembrane, with the escalating doses of AG. Microscopic observation revealed alleviation in the histopathological lesions (necrosis, inflammation, hemorrhage/congestion, degeneration and dilatation of blood vessels). AG and JG additionally reduced COP-induced increase in the serum levels of pro-inflammatory cytokines. Conclusion This study convincingly demonstrates that co-administration of AG and JG is a potential therapy against hemorrhoids, warranting further investigations.

Co-encapsulation of vitamin D3 and Cordia myxa fruit peel extract in nanoemulsions

PurposeThis study investigated the production of free and encapsulated nanoemulsions using Cordia myxa fruit peel (CMFP) extract and vitamin D3.Design/methodology/approachThe CMFP extract was obtained using an ultrasonic technique, and its characteristics such as total phenolic content (TPC), antioxidant activity, cytotoxicity and gas chromatography-mass spectrometry (GC/MS) analysis were assessed. CMFP was encapsulated in vitamin D3 oil droplets of nanoemulsion prepared by ultra-homogenization using calcium alginate polymer. The nanoemulsions were evaluated for 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging activity, antimicrobial activity, morphology, Fourier transform infrared (FTIR) analysis and release rate in a simulated gastrointestinal model.FindingsThe GC/MS results revealed that pyrocatechol, cholestanoids and propionaldehyde were the predominant compounds in the extract. The highest cytotoxicity effect of CMFP was observed at concentrations of 6.25 and 12.5 ppm of the extract. Encapsulated nanoemulsions exhibited the highest antimicrobial activity against Escherichia coli (ATCC 35218). The antioxidant activity of the free and encapsulated nanoemulsions ranged from 25.81 to 36.08 mg/100g and 49.25–55.7 mg/100g, respectively. Free nanoemulsions showed a higher release rate in the simulated gastric model compared to encapsulated ones. The FTIR spectrum allowed for the identification of functional groups responsible for antioxidant and antibacterial properties, indicating that these properties of the nanoemulsions were maintained.Originality/valueThis study demonstrates the successful co-encapsulation of CMFP extract and vitamin D3 in nanoemulsions, which significantly enhanced the stability, bioavailability and functional properties of both compounds. Encapsulated nanoemulsions exhibited higher antioxidant and antimicrobial activities compared to their free counterparts, with controlled release in simulated gastrointestinal conditions. These findings confirm that nanoemulsion-based encapsulation is an effective strategy to protect and enhance the bioactivity of plant extracts and vitamins, supporting their potential use in functional food products and therapeutic application.

GC-MS Assay to Alkaloid Extract of T. foenum-graecum Seeds and Detection Effect of Extract as Antibacterialect Of Extract As Antibacterial

The need for standardized modern analytical procedures becomes urgent due to the rise in drug-resistant for pathogens. These procedures use to isolate new bioactive compounds from medicinal plants. The medicinal plant-derived compounds could provide a new method to fight pathogenic bacteria. This study sheds light on the antimicrobial activity of plant-derived components, their possible mechanisms of action, and their chemical potential. Five different plant extract concentrations were used:12.5, 25, 50, 100, and 200 mg/ ml. The maximum inhibition zone for the alkaloid extracted from seeds of Trigonella foenum against Klebsiella pneumonia was (21.0 ± 0.63) mm at 200 Mg ml1 dose. In comparison, the minimum inhibition zone for Pseudomonas aeruginosa was (6.16 ± 0.40) mm at 25 Mg ml1. According to the results of the gas chromatography-mass spectrometry (GC-MS) analysis, the chemical composition analysis of the Trigonella foenum extract had a high concentration of organic components with antimicrobial and antioxidant properties.

Phytochemical Profile and Bioactive Compounds in Aqueous Leaf Extract of Anacardium occidentale: A GC-MS Analysis

This study investigates the phytochemical composition of the aqueous leaf extract of Anacardium occidentale (cashew tree) using Gas Chromatography-Mass Spectrometry (GC-MS) analysis. The aqueous extraction yielded a crude leaf extract rich in bioactive compounds. Major compounds identified include γ-Terpinene (13.62%), known for its antioxidant and antibacterial properties, and Securinine (2.08%), which exhibits anticancer and antiviral effects. Additionally, dl-α-Tocopherol (5.6%), a potent antioxidant, was found. Other notable compounds, such as 1,2,3-Benzenetriol (6.53%), demonstrated strong antioxidant and anti-inflammatory properties, while Naphthalene (1.78%) exhibited antimicrobial activity. These compounds, among others identified in the extract, suggest that Anacardium occidentale leaves have a rich phytochemical profile with significant medicinal properties. The results underscore the plant’s potential for treating oxidative stress-related diseases such as diabetes, cancer, and bacterial infections. This research highlights the therapeutic promise of Anacardium occidentale and emphasizes the need for further studies on the synergistic effects of these compounds. These findings could serve as a foundation for developing new, plant-based therapeutic agents for managing chronic diseases and infections.

Phytochemical Profile and Bioactive Compounds in Aqueous Seed Extract of Irvingia gabonensis: A GC-MS Analysis

Irvingia gabonensis, commonly known as African mango, has gained significant attention for its nutritional and medicinal properties. This study investigated the phytochemical profile and identified bioactive compounds present in the aqueous seed extract of I. gabonensis using Gas Chromatography-Mass Spectrometry (GC-MS). The analysis revealed a variety of bioactive compounds, including fatty acids (e.g., palmitic acid, linoleic acid), terpenoids, alkaloids, and phenolic compounds. Key findings include the high peak area percentages of 2-Undecanone (31.3%) and 1,3-O-Benzylidine glyceryl-2-myric (15.4%), suggesting their significant bioactivity. The results indicate potential therapeutic applications in managing oxidative stress, inflammation, and metabolic disorders. Further studies, including in vivo evaluations, are recommended to explore these therapeutic potentials and establish safety profiles.

Determination and Comparison of Volatile Organic Compounds (VOCs) in Celery (Apium graveolens L.) Seeds by Headspace-Solid-Phase Microextraction (HS-SPME) Gas Chromatography-Mass Spectrometry (GC-MS) and Multivariate Analysis

The utilization of celery seeds as seasonings and in herbal teas is widespread due to their significant nutritional and medicinal value. The determination of volatile organic compounds (VOCs) is a valuable tool for species identification and classification. Currently, there is an absence of information investigating the volatile constituents present in the cultivars of celery seeds. To analyze the varietal differences of celery seeds, VOCs were isolated using headspace solid-phase microextraction with by determination by gas chromatography-mass spectrometry. The samples underwent further comparison using multivariate statistical analysis to determine the changes in VOCs. Cluster analysis and principal component analysis were used to conduct correlation measurements on the samples. An orthogonal partial least squares discriminant analysis (OPLS-DA) model was developed to discriminate between samples and identify differential compounds. The distribution of these key compounds in these seeds was analyzed using a Sankey diagram. The samples contained 30 volatile components, mainly terpenes and esters. Correlation analysis revealed distinct variations in the VOCs. Furthermore, the utilization of the OPLS-DA model facilitated the identification of 11 differential compounds. The Sankey diagram illustrated significant disparities in the distribution patterns of these key compounds in the celery seeds.

Insecticidal Activity of Fatty Acids From the Fruit Extract of Momordica cymbalaria Fenzl Ex Naudin, Has Insecticidal Activities on Mosquito Larvae.

The fruit and other parts of Momordica cymbalaria are known to have medicinal properties. The study investigates the chemical composition and functional groups of M. cymbalaria fruits to assess the insecticidal potential of its bioactive metabolites. In silico approach was used to understand the mechanism behind the insecticidal nature of these metabolites. Ethyl acetate extract has 18 compounds, whereas 20 compounds were identified in methanol using gas chromatography-mass spectroscopy analysis. The extracts contain several functional groups, including alkanes, esters, carboxylic acids, amides and aromatic groups. The insecticidal bioassay using methanol and ethyl acetate extracts of M. cymbalaria on Aedes aegypti and Culex quinquefasciatus mosquito larvae shows that the LC50 value for A. aegypti was 65.7ppm, for C. quinquefasciatus was 96.9ppm and for ethyl acetate and methanol extract is 282.36 and 388.09ppm. Molecular docking of secondary metabolites was performed with five insect proteins, namely, odorant binding protein (OBP), cytochrome P450 (CYP450), prophenol oxidase (PPO), arylalkylamine n-acetyltransferease (aaNAT) and sterol carrier protein (SCP). Results show that methyl 6-cis, 9-cis, 11-trans-octadecatrienoate has high binding affinity with sterol carrier protein (SCP-2) besides showing binding with other insect proteins. The data suggest that methyl 6-cis, 9-cis, 11-trans-octadecatrienoate has multiple insecticidal actions and may serve as a green insecticide.

Geochemical characteristics and depositional conditions of the Lower-Middle Jurassic source rocks in the Southern margin of the Junggar Basin, NW China

The Lower-Middle Jurassic source rocks are identified as the primary contributors along the southern margin of the Junggar Basin. To elucidate their geochemical characteristics, a comprehensive and unprecedented collection of deep Basin (>4500 m) source rock samples was undertaken in the region. A systematic analysis of 124 samples was performed, including studies on organic carbon, Rock-Eval, and organic petrology. Additionally, Gas Chromatography-Mass Spectrometry (GC-MS) analysis was conducted on 21 selected samples. The findings reveal that the Lower-Middle Jurassic source rocks were deposited in a weakly oxidizing to reducing freshwater environment, predominantly comprising liptinite, and vitrinite organic macerals, with a high abundance of Types III and II organic matter. Maturity assessments indicate a varied reservoir formation potential along the southern margin of the Junggar Basin, with the western part generally exhibiting lower maturity levels compared to the central and eastern regions. This suggests that condensate gas reservoirs are more likely to form in the central and eastern areas, while the western part is more favorable for oil reservoir formation. These results underscore the “source control” characteristics of the southern margin of the Junggar Basin.

Phytochemical Profile and Bioactive Compounds in Aqueous Leaf Extract of Vernonia amygdalina (Asteraceae): A GC-MS Analysis

The identification of bioactive compounds in medicinal plants provides valuable insights into their therapeutic potential, especially for chronic diseases like diabetes. This study conducted a comprehensive Gas Chromatography-Mass Spectrometry (GC-MS) analysis to characterize the phytochemical profile of the aqueous leaf extract of Vernonia amygdalina, a plant widely utilized in traditional medicine across West Africa. GC-MS analysis identified key bioactive compounds, including alkaloids, flavonoids, saponins, and sesquiterpenes, known for their anti-diabetic, antioxidant, and anti-inflammatory properties. These phytochemicals are associated with glucose regulation, oxidative stress reduction, and improved liver and kidney function markers. However, the semi-quantitative analysis based on peak area percentages highlights the need for more rigorous quantification methods. Furthermore, the absence of preclinical and clinical trials, along with a lack of toxicity data, limits the full assessment of its therapeutic potential. The results emphasize the need for safety and efficacy studies to support Vernonia amygdalina’s development as a therapeutic agent for diabetes management.

Exploring the potential antimalarial properties, safety profile, and phytochemical composition of Mesua ferrea Linn.

The increased resistance of Plasmodium falciparum to artemisinin and its partner drugs poses a serious challenge to global malaria control and elimination programs. This study aimed to investigate the therapeutic potential of Mesua ferrea Linn., a medicinal plant, as a source for novel antimalarial compounds. In this study, we conducted in vitro assays to evaluate the antimalarial activity and cytotoxicity of crude extracts derived from M. ferrea L. leaves and branches. Subsequently, the most promising extracts were subjected to assessments of their antimalarial efficacy and acute oral toxicity tests in mouse models. Furthermore, selected crude extracts underwent gas chromatography-mass spectrometry (GC-MS) analysis to identify their phytochemical compositions. Our findings revealed that the ethanolic extract of M. ferrea L. branches (EMFB) exhibited high antimalarial activity, with an IC50 value of 4.54 μg/mL, closely followed by the ethanolic extract of M. ferrea L. leaves (EMFL), with an IC50 value of 6.76 μg/mL. Conversely, the aqueous extracts of M. ferrea L. branches (AMFB) and leaves (AMFL) exhibited weak and inactive activity, respectively. The selected extracts, EMFB and EMFL, demonstrated significant dose-dependent parasitemia suppression, reaching a maximum of 62.61% and 54.48% at 600 mg/kg body weight, respectively. Furthermore, the acute oral toxicity test indicated no observable toxicity at a dosage of 2,000 mg/kg body weight for both extracts. GC-MS analysis revealed abundant compounds in the EMFB, such as oleamide, cis-β-farnesene, alloaromadendrene, physcion, palmitic acid, 5-hydroxymethylfurfural, and 4H-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-, while the EMFL contained friedelin, friedelinol, betulin, β-caryophyllene, oleamide, and 5-hydroxymethylfurfural. Notably, both extracts shared several phytochemical compounds, including 4H-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-, 5-hydroxymethylfurfural, α-copaene, cyperene, β-caryophyllene, alloaromadendrene, palmitic acid, ethyl palmitate, and oleamide. Additionally, further study is needed to isolate and characterize these bioactive compounds from M. ferrea L. leaves and branches for their potential utilization as scaffolds in the development of novel antimalarial drugs.

Seasonal metabolic variation in the essential oil composition of various Tabebuia species and evaluation of their anti-inflammatory activity in vitro and in silico.

The seasonal variation in essential oil from four Tabebuia species, T. impetiginosa, T. rosea, T. argentea, and T. guayacan, was explored using gas chromatography-mass spectrometry analysis. A total of 90 components were tentatively identified. Among the four Tabebuia species, the most predominant components in spring were phytol (67.5%), limonene (50.1%), (Z,Z,Z)-7,10,13-hexadecatrienal (67.5%), and 1-octen-3-ol (80.4%), respectively. Chemometric discrimination of the four Tabebuia species was performed employing principal component analysis, which classified the samples into three main clusters while the rest of the samples were scattered in the whole plot. The season of collection impact on essential oils composition and yield was illustrated. 5-Lipooxygenase inhibitory effect of spring season essential oils was assessed, showing that all essential oils exhibited certain inhibition, where T. rosea showed the most potent effect, exhibiting an IC50 value of 1.8 μg/mL, compared to the standard zileuton (0.68 μg/mL). Moreover, an in silico molecular docking study was performed for the predominant metabolites against the 5-LOX active pocket. Among all the docked compounds, eicosane showed the best fitting score, then norphytane, with ∆G of -38.39 and -29.77 kcal/mol, respectively. Thus, Tabebuia species could offer a natural and relatively safe anti-inflammatory candidate that requires further clinical trials to be supported.

Effects of Petasitin as Natural Extract on Proliferation and Pathological Changes of Pediatric Neuroblastoma SK-N-SH Cells

Scalp alopecia areata (SAA) is a common non-scarring hair loss condition, associated with factors such as autoimmune responses, genetics, emotional stress, and endocrine imbalances. Current treatments for SAA included minoxidil, topical steroid creams, biologics, and plant extracts. Tea tree oil (TTO), a natural plant extract, is known for its antibacterial, anti-inflammatory, and acaricidal properties, and it also provides nourishment for hair. In this research, a natural extract of TTO, was prepared to analyze its antibacterial properties. The hair follicle stem cells (HFSCs) of patients with primary SAA were analyzed to understand the influences of TTO on migration of HFSCs. TTO was extracted from fresh tea tree leaves using steam distillation. Quantitative analysis of gas chromatography-mass spectrometry (GC/MS) qualitative analysis and its total ion chromatogram using area normalization method were conducted. Meanwhile, its antibacterial activity was tested against five common pathogens (Escherichia coli (E. coli), Staphylococcus aureus (S. aureus), Staphylococcus albus (S. albus), Pseudomonas aeruginosa (P. aeruginosa), and Candida albicans (C. albicans)) by measuring the diameter of inhibition zones (DIZ), minimal inhibitory concentration (MIC), and minimum bactericidal concentration (MBC). HFSCs were isolated from patients with SAA and cultured in vitro, with cell identification performed through cytokeratin 15 (K15) immunofluorescent staining. The HFSCs were then exposed to varying concentrations (0.0, 0.5, 2.0, 5.0, 10.0, and 25.0 mmol/L) of TTO for culture, and cell proliferation activity (CPA) was assessed using the 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide (MTT) assay, while migration of HFSCs was evaluated using the Transwell chamber assay. Results demonstrated that the extracted TTO had a content of 0.69 g and an extraction rate of 2.32%. 36 components were identified, constituting 98.67% of the total, with 4-terpineol reaching a high concentration of 48.35%. It exhibited a DIZ of less than 25 mm against all tested pathogens, with MIC values lower than 29 mg/mL and MBC values below 38 mg/mL. Patients with SAA displayed yellow and black dots, broken hair, malnourished and exclamation mark hairs, with few flag hairs observed in skin microscope examination. Isolated and cultured HFSCs expressed K15 primarily in the cytoplasm and exhibited favorable growth dynamics. Treatment with various concentrations of TTO greatly increased CPA and migrated cell numbers in HFSCs, with the optimal effect observed at 5.0 mmol/L concentration of TTO. In conclusion, the plant extract TTO possessed significant antibacterial activity and can promote proliferation and migration in vitro of HFSCs, suggesting its potential therapeutic application for SAA.

Influence of Chlorella vulgaris and Pediastrum boryanum extracts carried on nanocellulose on the immune response of Biomphalaria alexandrina snails against Schistosoma mansoni infection.

Continuous efforts are made to explore alternative methods for reducing Schistosomiasis. So, this study evaluated the effectiveness of Chlorella vulgaris and Pediastrum boryanum extracts carried on their nanocrystalline cellulose (NCC) as immunostimulants for Biomphalaria alexandrina snails against Schistosoma mansoni infection. The results showed that the lowest cercarial shedding/snail was 340 and 330 with 400 mg/L of C. vulgaris extract and NCC + C. vulgaris extract, respectively. Meanwhile, it was decreased with 200 mg/L of P. boryanum extract and 400 mg/L of NCC + P. boryanum extract, with high survival rates for all treatments. In addition, snails treated with 400 mg/L of C. vulgaris extract and 200 and 400 mg/L of NCC + C. vulgaris extract showed a significant decrease in the contents of hydrogen peroxide (0.639, 0.426, and 0.564 mM/L), respectively, compared to the control group (0.695 mM/L). Furthermore, C. vulgaris extracts induced numerous hemocytes around immature cercariae and sporocysts. P. boryanum extracts showed degenerated sporocysts surrounded by plenty of hemocytes. Nanocellulose carriers improved the delivery of microalgal components within B. alexandrina snails, causing the cercariae to lose their ideal shape. Gas chromatography-mass spectrometry (GC-MS) analysis revealed that C. vulgaris and P. boryanum extracts contained oleic acid, which improved the immunological response of snails, and glutamic acid and flavonoids acted as immune modulators and antioxidants. Ultimately, the toxicity assay indicated that NCC + C. vulgaris extract and NCC + P. boryanum extract were the safest for Artemia salina as a non-target aquatic organism.

Tandem Pyrolysis Evolved Gas–Gas Chromatography–Mass Spectrometry

Analysis of byproducts from thermal degradation of polymer materials provides a wealth of information about a materials’ composition, thermal stability, degradation mechanisms, and kinetics. However, regardless of the instrumentation used, only limited information is obtainable from a single experiment. Microfurnace technology, when interfaced to a gas chromatography-mass spectrometry (GC-MS), can be used to obtain both thermal and chemical information via evolved gas analysis-MS (EGA-MS) and GC-MS analysis modes. While both EGA-MS and Py-GC-MS are valuable when characterizing polymer materials, at least two experiments on distinct samples are required, which can be a liability for clear interpretation of results from inhomogeneous samples. Here, we seek to overcome this limitation by combining EGA-MS and Py-GC-MS modes in a single experimental setup. This was done by developing new gas line modifications to allow for tandem Pyrolysis Evolved Gas-Gas Chromatography-Mass Spectrometry (Py/EG-GC-MS) analysis. Verification of Py/EG-GC-MS analysis was performed using a polystyrene standard. Results demonstrate successful Py/EG-GC-MS analysis for the first-time showing the potential of these modifications for application in areas where sample is limited or direct correlation of products to the thermal profile is desirable such as in forensics or product-specific kinetics.