Gas Chromatography-mass Spectrometry Research Articles

Synergistic antimicrobial activity of essential oils mixture of Moringa oleifera, Cinnamomum verum and Nigella sativa against Staphylococcus aureus using L-optimal mixture design

The urgent need to address the growing problem of antimicrobial resistance in multidrug-resistant bacteria requires the development of pioneering approaches to treatment. The present study aims to evaluate the antimicrobial potential of the essential oils (EOs) of Moringa oleifera (moringa), Cinnamomum verum (cinnamon), and Nigella sativa (black seed) and the synergistic effect of the mixture of these oils against Staphylococcus aureus MCC 1351. Statistical modeling revealed cinnamon oil had the highest individual antimicrobial potency, followed by black seed oil. The combination of the three EOs exhibited significant synergistic effects compared to the individual oils, with a Fractional Inhibitory Concentration (∑FIC) index of 0.27. L-Optimal mixture design of response surface methodology (RSM) identified the optimal mixture as moringa: cinnamon: black seed oils by the ratio of (1:1:1) in run 15 (0.338:0.307:0.355 mL) (v/v). This mixture exhibited significant antibacterial efficacy, outperforming individual oils and conventional antibiotics like tetracycline. Specifically, the combination reduced the MIC values from 3.12, 0.78, and 6.25 to 0.25, 0.06, and 0.78 μg/mL for moringa, cinnamon, and black seed oil, respectively. Synergistic interactions between oils further boosted efficacy, with moringa-cinnamon and cinnamon-black seed pairings exhibiting the strongest synergies. The developed predictive models for IZD and MIC showed excellent fit, with R2 values of 0.9843 and 0.9958, respectively. Pareto chart analysis highlighted the predominant individual and synergistic effects, with the Moringa-Cinnamon interaction exhibiting the highest positive synergy. Notably, the oil mixture of run 15 demonstrated excellent biocompatibility, maintaining 97.6% viability of normal human skin fibroblasts (HSF) after 24 h exposure to 200 μL EOs of the mixture per mL. Gas chromatography mass spectrometry (GC/MS) identified abundant bioactive phytochemicals like cinnamaldehyde, linoleic acid, and palmitic acid methyl esters underlying the observed antimicrobial effects. This rationally designed, synergistic phytochemical combination presents a promising natural therapeutic against antibiotic-resistant S. aureus while exhibiting minimal cytotoxicity. The results underscore how combining essential oils could help address the issue of antibiotic resistance in S. aureus.

Different essential oils can inhibit Candida albicans biofilm formation on acrylic resin by suppressing aspartic proteinase: In vitro and in silico approaches.

Cymbopogon martini, Syzygium aromaticum, and Cupressus sempervirens are used for antimicrobial purposes in the worldwide. Both their extracts and essential oil contents are rich in active ingredients. The aim of this study was to investigate the inhibitory effect of Cymbopogon martini essential oil (CMEO), Syzygium aromaticum essential oil (SAEO) and Cupressus sempervirens essential oil (CSEO) on Candida albicans biofilm formation on heat-polymerized polymethyl methacrylate (PMMA) samples in vitro and in silico. Essential oil contents with anticandidal potential were determined by Gas Chromatography-Mass Spectrometry. Following C. albicans adhesion, PMMA samples were treated independently with Corega® and each essential oil. The anticandidal activity of the essential oils was determined by spectrophotometric absorbance measurement at 600nm, taking into account the cultures of each sample. The cytotoxicity evaluation of essential oils was performed by MTT Colorimetric assay. The software package AutoDockTools (1.5.6) was used for the in silico studies. The effect of essential oil content on the inhibition of Secreted aspartic proteinase (SAP2) was evaluated considering the Ligand@SAP2 complex formation. 2% of CMEO and 5% of SAEO exhibited higher anticandidal activity than Corega® (p < 0.05), whereas Corega® had higher anticandidal activity than 2% and 5% of CSEO (p < 0.05). The cytotoxicity of essential oils on NIH/3T3 cells after 24h was found to be 2.41 for CSEO, 2.84 for CMEO, and 2.85µg/mL for SAEO. The results of the in silico study showed that citronellol from CMEO, chavibetol (m-eugenol) from SAEO and β-pinene from CSEO each had the highest effect on the inhibition of SAP2. The highest binding affinity value was found for citronellol at -5.3kcal/mol. The biofilm formation of C. albicans onto acrylic resin was inhibited by CMEO, SAEO and CSEO at a concentration of 2% through in vitro assay. The most effective inhibition was determined to be due to citronellol in CMEO through in silico analysis.

A Comprehensive Evaluation of the Neuropharmacological Potential of Methanolic Leaf Extract of Acanthus ebracteatus (Vahl.) Using Experimental and In Silico Approaches.

This study was undertaken to assess the antioxidant and neuropharmacological potentials of the methanol leaf extract of Acanthus ebracteatus (MAEL) through experimental and in silico methods. The phytochemical screening (PS) and GC-MS (gas chromatography-mass spectrometry) identified 28 phytochemicals with different classes in nature in MAEL. The MAEL revealed better antioxidant activity through various in vitro antioxidant assays. Additionally, in the tail suspension test (TST) and forced swimming test (FST), a dose-dependent reduction in immobility time was observed indicating antidepressant activity. In the elevated plus maze test (EPM), MAEL led to increased time spent and more entries in the open arms. At the same time, the hole board test (HBT) demonstrated an increase in head dipping compared to the control, both indicating anxiolytic activity. Moreover, a dose-dependent reduction in locomotor activities was observed in both the open field test (OFT) and hole cross test (HCT). Molecular docking showed better binding affinities of two compounds, CID-518982 and CID-236641. ADME/T analysis revealed good drug likeliness with no toxicity. Finally, the simulation demonstrated better structural stability with no significant fluctuations of the compounds with the selected receptors. In this study, compounds CID-518982 and CID-236641 might serve as drug candidates for treating anxiety and depression.

Comprehensive Profiling of Illicit Amphetamines Seized in Poland: Insights from Gas Chromatography–Mass Spectrometry and Chemometric Analysis

The illicit production and distribution of amphetamines present significant challenges to public health and law enforcement, particularly in Europe, where these substances dominate the stimulant market. This study aimed to profile amphetamines consumed within a Polish community by employing gas chromatography–mass spectrometry (GC-MS) and chemometric techniques to analyze their chemical composition and associated impurities. The optimized GC-MS methodology facilitated the identification of synthesis markers, precursor origins, and distribution patterns. Impurity profiling provided critical insights into regional production trends, including the use of specific precursors and adulterants. Chemometric analysis further enabled the classification of samples into distinct groups, shedding light on their origins and distribution chains. These findings underscore the potential of extending amphetamine profiling to include distribution-related compounds, offering a powerful tool for tracking production trends and enhancing forensic investigations in the fight against drug trafficking.

Tissue-specific responses of the central carbon metabolism in tomato fruit to low oxygen stress.

Tomato (Solanum lycopersicum L.) is an important model plant whose fleshy fruit consists of well-differentiated tissues. Recently it was shown that these tissues develop hypoxia during fruit development and ripening. Therefore, we employed a combination of metabolomics and isotopic labeling to investigate the central carbon metabolic response of tomato fruit tissues (columella, septa and mesocarp) to low O2 stress. The concentration and 13C-label enrichment of intermediates from the central carbon metabolism were analyzed using gas chromatography-mass spectrometry. The results showed an increase in glycolytic activity and the initiation of fermentation in response to low O2 conditions. In addition, the up-regulation of the GABA shunt and accumulation of amino acids, alanine and glycine, were observed under low O2 conditions. Notably, tissue specificity was observed at the metabolite level, with concentrations of most metabolites being highest in columella tissue. In addition, there were tissue-specific differences in the central carbon metabolism with the columella exhibiting the highest metabolic activity and sensitivity to the changes in O2 concentration, followed by septa and mesocarp tissues. Our results are consistent with common plant responses and adaptive mechanisms to low O2 stress, while unravelling some tissue-specific differences, increasing our understanding of the intact fruit response to low O2 stress.

Essential oils from Amorpha fruticosa against hepatocellular carcinoma based on network pharmacology

BackgroundAmorpha fruticosa was used for treating burn, ambustion, carbuncle, and eczema in the traditional Chinese medicine. Although more and more attention has been paid to its biological activity recently, the antitumor activities of the essential oils (EOs) extracted from its leaves (AFLEO) and flowers (AFFEO), and their molecular mechanisms have never been reported up to now. The objective of present study was to examine the chemical compositions of AFLEO and AFFEO, then investigate the effects and pharmacological mechanism of EOs against hepatocellular carcinoma (HCC).MethodsThe chemical compositions of EOs were examined using gas chromatography-mass spectrometry (GC-MS). The inhibitory effect of the EOs on HCC was evaluated by MTT assay. The detected components of AFLEO and AFFEO were performed ADME screening to examine their drug-likeness. Then a PPI network, compound-target network, compound-target-pathway network, gene ontology, and KEGG enrichment for HCC were applied to identify the targets and pathways for AFLEO and AFFEO against HCC. Molecular docking of the main components and their targets was performed to predict the binding affinity. Western blotting was used to verify the results.Results30 components were identified from AFLEO, while 22 components from AFFEO. Both AFLEO and AFFEO inhibited the proliferation of HCC cells in a time and dose-dependent manner. 10 compounds of AFLEO and 9 compounds of AFFEO were screened out for further analysis. 28 hub targets of AFLEO and 40 hub targets of AFFEO were detected by PPI network. KEGG analysis revealed that pathways in cancer, chemical carcinogenesis - receptor activation and proteoglycans in cancer were related to the EOs against HCC. Molecular docking confirmed that the main component of the EOs has high affinity to the targets of HCC.ConclusionsAFLEO and AFFEO may suppress HCC by acting on multiple targets and regulating multiple pathways.

Chemical profiling, antioxidant, and antimicrobial activities of the essential oil of Matricaria recutita (Chamomile)

Matricaria recutita, commonly known as chamomile, is extensively utilized in the pharmaceutical, cosmetic, and food industries for its medicinal and essential oil properties. Local people from the Karnali Province of Nepal use this plant against skin and vaginal infection by bacteria and fungi. This research focuses on extracting essential oil through hydro-distillation, followed by Gas Chromatography-Mass Spectroscopy (GC-MS) to identify its chemical constituents and antioxidant and antimicrobial activities against bacteria and fungi responsible for common skin infections. The GC-MS analysis of the essential oil from M. recutita identified eleven chemical components. The major constituents, with respective area percentages at retention times 37.16, 11.79, and 7.88 in the GC chromatogram, were -farnesene (46.56%), -bisabolol oxide-A (11.79%), and menthol (7.88%). Limonene, methyl salicylate, and -bisabolol oxide-B also constituted the lowest area percentages at 1.36%, 1.59%, and 1.62%, respectively. The essential oil exhibited significant antioxidant activity with IC50 = 0.1924 µL/mL. Additionally, the essential oil exhibited notable antibacterial activity against Staphylococcus aureus ATCC6538P and Candida albicans, displaying zones of inhibition measuring 10.64 mm and 14.44 mm, respectively. The broth method also revealed that the MIC is above the 250 mg/mL range and has more potential for inhibition.

Effects of pits of different ages on ethyl acetate and its metabolism-related microorganisms during strong-flavor Baijiu fermentation

The esters are the most important flavor components in Baijiu as their species and content decide the style of Baijiu. During the formation of esters, pits play important roles. In this study, the main esters and their related microorganisms in different years of pits (5, 35 and 100 years) of strong-flavor Baijiu were comprehensively researched by headspace solid-phase microextraction gas chromatography mass spectrometry (HS-SPME-GC-MS) and amplicon sequencing. A total of 690 bacterial genera and 155 fungal genera were detected. The microbial composition of ZPs (fermented grains) from 100 years pit was the most abundant at the genus level. A total of 177 volatile flavor components were observed, including 80 esters, 42 alcohols, 21 acids, 10 ketones and 11 aldehydes. Ethyl acetate was the lowest and ethyl caproate was relatively high in 100 years pit. 15 genera, including Lactobacillus, Pichia, Issatchenkia, Saccharomyces, and Aspergillus, were positively related to the formation of four major esters and their precursors. The research demonstrated that 100 years pit was benefit for maintaining microbial diversity and controlling ethyl acetate. This study is helpful for understanding the microbial composition and succession in the fermentation process of strong-flavor Baijiu, and revealing the complex relationships between dominant genera, physicochemical properties and volatile flavor components.

Gas chromatography-mass spectrometry metabolic profiling and sensory evaluation of greenhouse mangoes (Mangifera indica L. 'Irwin') over multiple harvest seasons.

Compared to outdoor mango cultivation in the tropics, greenhouse cultivation in temperate regions is less reported due to its short history and small scale. Here, we evaluated for the first time the taste-focused quality of greenhouse-grown mangoes (Irwin) by GC-MS metabolic profiling and sensory evaluation for over three years (2021-2023). The relative standard deviation in sensory evaluation scores was approximately 15% each year. Meanwhile, principal component analysis was performed on 45 identified metabolites and clustered with similar topology over three years. Orthogonal partial least squares regression analysis showed that a prediction model could be constructed with R2, Q2= 0.9 or higher for all three years. Furthermore, the 2021 prediction model was used to evaluate the accuracy of sensory evaluation scores in a different year (2023). Compared to the model that used all 45 metabolites as explanatory variables, the accuracy of the model improved when using only 24 important metabolites which are common to both years (2021 and 2022), suggesting that these metabolites are highly reproducible across years. This study would contribute not only to fundamental greenhouse information, but also to the improvement of quality and cultivation methods in greenhouse in the future.

Investigating the threat to Sitka spruce from Ips typographus: discrimination and colonization of Britain's principal commercial conifer by a damaging forest pest.

Ips typographus (L.), the eight-toothed spruce bark beetle (Coleoptera: Scolytinae), has devastated European Norway spruce (Picea abies) forests in recent years. For the first time, I. typographus has established localized breeding populations in Britain, where Sitka spruce (P. sitchensis) is a critical component of plantation forestry. The interactions between Norway spruce and I. typographus are well understood, but relatively little is known about the susceptibility of Sitka spruce to the beetle. This study aimed to determine whether I. typographus would select Sitka, compared to Norway spruce, as a host for breeding, and to study the chemical ecology underlying these host preferences. Host choice assays were conducted in the laboratory using freshly cut spruce logs, and then verified in the field in an area with an endemic population of I. typographus. Overall, colonization and breeding success were found to be similar in cut Sitka and Norway spruce material. The response of I. typographus, reared on both Norway and Sitka spruce, to headspace extracts of aged and fresh Norway and Sitka spruce material was tested behaviorally using four-arm olfactometry. Odors of aged wood from the two species were equally attractive, and fresh Sitka was more attractive than fresh Norway spruce. Antennal responses to Norway Spruce and Sitka Spruce headspace extracts were located using GC-EAG and identified by coupled GC-mass spectrometry and GC co-injection with authentic standards. Norway- and Sitka spruce-reared beetles did not differentiate between synthetic Norway or Sitka spruce blends and responded similarly. These findings suggest I. typographus will select and colonize cut Sitka as readily as cut Norway spruce, with implications for its establishment risk in Sitka-growing regions. Whilst the susceptibility of live Sitka trees remains unclear, the study advances the understanding of the role of both host-emitted volatile organic compounds (VOCs) in primary host location and induced host preference in host selection by I. typographus. © 2025 Crown copyright and The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry. This article is published with the permission of the Controller of HMSO and the King's Printer for Scotland.

Integrated Analysis of Terpenoid Profiles and Full-Length Transcriptome Reveals the Central Pathways of Sesquiterpene Biosynthesis in Atractylodes chinensis (DC.) Koidz

Atractylodes chinensis (DC.) Koidz. is an aromatic and medicinal plant in East Asia. The primary bioactive compounds in this species are sesquiterpenes, particularly β-eudesmol, hinesol, and atractylon. Cultivation techniques require improvement to meet the medicinal demands of this species. In this study, gas chromatography–mass spectrometry analysis of an A. chinensis germplasm showed its essential oil contained various sesquiterpenes, including a high relative ratio of β-eudesmol. Full-length transcriptome profiling of A. chinensis revealed 26 genes related to terpenoid biosynthesis. These genes belonged to 13 gene families, including five in the isopentenyl pyrophosphate synthase gene family and four in the terpene synthase gene family. The functions of the four terpene synthase genes were proposed based on gene expression patterns and phylogenetic relationships: one was thought to encode monoterpene synthase and three to encode sesquiterpene synthase. Based on the results, the central biosynthesis pathways of the major sesquiterpenes in the A. chinensis rhizome were proposed, and three sesquiterpene synthase genes were identified as expressed in the rhizome for the first time. AcHMGR, AcFPPS, and the three sesquiterpene synthase genes were proposed as potential targets for molecular breeding in A. chinensis to enhance its sesquiterpene content.

Chrysanthemum zawadskii var. latilobum Flower Essential Oil Reduces MRSA Pathogenicity by Inhibiting Virulence Gene Expression

The essential oil extracted from the flowers of Chrysanthemum zawadskii var. latilobum (Maxim.) Kitam (CZEO), family Asteraceae, was investigated to determine its ability to inhibit the pathogenicity of methicillin-resistant Staphylococcus aureus (MRSA). The chemical composition of CZEO was analyzed using gas chromatography–flame ionization detector and gas chromatography–mass spectrometry, and 88 compounds were identified and categorized as monoterpenes (68.82%), sesquiterpenes (17.82%), and others (5.01%). CZEO inhibited MRSA floating cell growth, acid production, and biofilm formation in a concentration-dependent manner. Furthermore, confocal laser scanning and scanning electron microscopy confirmed that the CZEO treatment decreased MRSA viability and notably reduced the three-dimensional density of the biofilm. Real-time PCR demonstrated that the mRNA expression of the MRSA gene A (mecA), accessory gene regulator A (agrA), staphylococcal accessory regulator A (sarA), and staphylococcal enterotoxin A (sea), which are pivotal genes implicated in MRSA pathogenicity, declined in a concentration-dependent manner following the CZEO treatment compared with the control. Thus, CZEO appeared to directly target the pathogenicity MRSA regulators. These findings substantiate the potential of CZEO as a natural antimicrobial agent for preventing MRSA infections.

Exploring Chemical Profiles, Antifeedant, Nematicidal and Phytotoxic Potentials of Seven Essential Oils from Eucalyptus Species.

Leaf essential oils (EOs) of seven Eucalyptus species from southern Tunisia (E. gracilis, E. lesouefii, E. salmonophloia, E. sargentii, E. flocktoniae, E. oleosa and E. salubris) were screened for their antifeedant, nematicidal and phytotoxic effects and their chemical compositions. The yield of EOs of these species varied from 1.32±0.38% to 4.92±0.37%. Using gas chromatography mass spectrometry (GC-MS) analysis, 22 compounds were identified, representing 87.16% to 96.83% of the total oil content. The main components found in all EOs were 1,8-cineole (38.71-70.44%), α-pinene (4.40-8.88%), p-cymene (0.95-14.99%), pinocarvone (0.17-3.22%), trans-pinocarveol (1.53-13.48%), spathulenol (0.18-5.39%) and globulol (0.22-6.47%). The insect antifeedant, nematicidal and phytotoxic effects of these oils against insect pests (Spodoptera littoralis, Myzus persicae and Rhopalosiphum padi), the root-knot nematode (Meloidogyne javanica) and two plant models (Lolium perenne and Lactuca sativa) were examined. Despite the moderate insect antifeedant activity, the EOs of E. salubris, E. salmonophloia, E. lesouefii and E. sargentii were the most effective against M. persicae. Significant nematicidal effects were observed for both E. salmonophloia and E. oleosa EOs. Moreover, all Eucalyptus EOs significantly suppressed the root and leaf growth of Lolium perenne than the root length of Lactuca sativa, indicating that EOs from Eucalyptus possessed an excellent phytotoxic potential.

Repellency Effects, Cytotoxicity Assessment and Chemical Compositions of Citrus limon Seeds Extracts and Fractions Against Anopheles gambiae sl Mosquitoes

Background: Citrus limon seeds have limited exploration, compared to other parts. The increasing prevalence of mosquito menace prompted the investigation into the repellent effects of the seed n-hexane extract and fractions of Citrus limon (Rutaceae) against adult Anopheles gambiae sl mosquitoes. The cytotoxicity and chemical constituents of the 100% n-Hexane Fraction (HF) were also evaluated. Methods: Successive extraction was done with cold-maceration using, n-hexane, Ethyl Acetate (EA) and methanol. The three solvent extracts were screened against Anopheles gambiae sl mosquitos, using human bait method, at doses, 1.5, 2.5 and 5.0 mg/ml and with Deet and acetone used as positive and negative controls respectively. The n-hexane extract was further fractionated with column chromatography. Ten fractions (100% n-hexane, 10, 20, 30, 40, 60, 80% EA in n-hexane, 100% EA, 50% methanol in EA, and 100% methanol) were collected, and all tested at a single optimized dose of 5 mg/ml for 2 hr. The cytotoxicity and the chemical constituents of HF were determined using brine shrimp lethality test and gas chromatography-mass spectrometry respectively. Results: N-hexane extract and HF, both at 5 mg/ml, showed the most protective effect of 97.52 and 89.40% respectively, compared with standard (Odomos Deet) 100% activity, with no significant difference (p&gt;0.05) between the three. HF was toxic with LC50 values of 29.2354 ppm. Thirty compounds representing 79.25% of HF were identified. Major compounds present in the fraction were heptadecanamine (8.31%), N-(3-methylbutyl) acetamide (7.89%), 2-ethyl- 1-hexanamine (6.65%). Conclusion: This promising repellent activity further justified the traditional usage of Citrus limon as mosquito repellent.

Moringa oleifera Docking to Estrogen Receptor α Ameliorates Placental and Brain Damage in Stressed Rats

Background: Stress during pregnancy significantly impacts offspring early physiological programming. Herbal remedies are frequently used by pregnant women to enhance their wellbeing. Moringa oleifera Leaf Extract (MoLE) is believed to have both anti-stress and antioxidant properties which can act as a Selective Estrogen Receptor Modulator (SERM) that regulate activities of estrogen, and can have different effects on different tissues. Goal of this study is to compile information on molecular docking analysis of phytochemicals found in MoLE targeting Estrogen Receptor-alpha (ER-α) and assess effects of MoLE administration on dam's and fetal brain tissues and placenta, during gestational stress. Methods: Phytochemical study of MoLE was determined using Gas Chromatography-Mass Spectrometry. Molecular docking technique was employed to predict aspects of interaction and binding affinities energy of bioactive phytocompounds in protein site of ER-α using autodock tools. 30 apparently healthy pregnant Albino-Wistar rats were randomly placed into 6 groups of 5 rats per group and exposed to Chronic Unpredictable Stress (CUS) protocol for two weeks, as follows: Group I (water and normal rat chow ad libitum), Group II (CUS protocol only), Group III (5 mg/kg body weight/day of MoLE), Group IV (10 mg/kg body weight/day of MoLE), Group V (CUS protocol +5 mg/kg body weight/day of MoLE), Group VI (CUS protocol +10 mg/kg body weight/ day of MoLE). Results: This study found that 1-Propanol, 3,3'-oxy bis- and 1, 2, 3-Trimethyldiazir-idine are most potent ligands for ER-α among all 41 compounds. Photomicrograph examination of tissues from stressed rats showed mild to severe alterations in histology. Consumption of MoLE during chronic stress showed mild to moderate protective effects. Conclusion: These findings suggest that 1-Propanol, 3,3'-oxy bis- and 1, 2, 3-Trimethy-ldiaziridine can be further investigated for development of novel therapeutics.

Effect of Amino Acid, Sugar, Ca2+, and Mg2+ on Maillard Reaction-Associated Products in Modified Sparkling Base Wines During Accelerated Aging

The Maillard reaction (MR) between sugars and amino acids, peptides, or proteins is understood to occur gradually during the production and aging of sparkling wines, where it contributes to caramel, roasted, and toasted aromas. Divalent metal ions can accelerate the MR, although this has not been previously reported in wine or wine-like conditions. In this work, the effect of calcium (Ca) and magnesium (Mg) ions on the concentration of 10 Maillard reaction-associated products (MRPs) was measured in modified sparkling base wine during accelerated aging at 50 °C for four weeks. Chardonnay base wine was modified by the addition of fructose (0.02 M) and a single amino acid (lysine, glycine, cysteine; 0.01 M) in combination with Ca2+ or Mg2+ at zero, low (10 mg/L), or high (50 mg/L) dose levels. MRPs were quantified by headspace solid-phase microextraction coupled with gas chromatography–mass spectrometry (HS-SPME-GC/MS), sugar concentration was measured by enzymatic assay, and amino acids and free metal ions were monitored by capillary electrophoresis. Fructose levels did not substantially decrease during aging despite increases in all MRPs, suggesting that trace sugars or α-dicarbonyl species present in the wine matrix likely play a greater role in MRP formation than fructose. Aging duration and amino acid content had a greater effect than metal addition on the composition of the MRPs. Treatments containing cysteine and 50 mg/L Ca2+ had elevated concentrations of benzaldehyde and furfural ethyl ether following 4 weeks of accelerated aging. This work identified key MRPs that increase during base wine accelerated aging and informs future research on the relationship between wine composition and aging markers.

Anatomical traits and volatile compounds of acetone extract from Kaempferia champasakensis

Kaempferia L. is a genus belonging to Zingiberaceae family, with many species used in indigenous medicines in Asian countries. Kaempferia champasakensis Picheans. and Koonterm. are rare species found only in Laos and Vietnam. The aim of this study was to provide the micro-morphological traits and the volatile compounds of the acetone extract isolated from K. champasakensis for the first time. Using gas chromatography/mass spectrometry (GC/MS) assay, twenty-three volatile components were identified in the studied extract, among which tyranton (22.41%), 9(E), 11(E)-conjugated linoleic acid (18.58%), palmitic acid (15.32%), phytol (9.95%), 3-hexen-2-one (6.91%), cis-vaccenic acid (6.04%) and beta-sitosterol (4.74%) were the major compounds. In addition, using the iodine green-carmine double staining method, the micro-morphological traits of the leaf, root tuber, root and rhizome of K. champasakensis were first demonstrated. These results provided the standardization and classification of K. champasakensis, which can be applied in the pharmaceutical field and other related areas.

Rhanterium Epapposum Essential Oil and Its Primary Compounds Control Infection, Inflammation, and Serum Electrolyte Imbalance in Mice with Giardiasis.

The present experimental study seeks to evaluate the in vitro and in vivo effects, as well as the potential mechanisms of action, of Rhanterium epapposum essential oil (REE) and its main constituents against Giardia lamblia infection. The analysis of REE was performed using the Gas Chromatography-Mass Spectrometry (GC-MS) detector. The in vitro effects of REE and its main constituents on viability of G. lamblia cysts and the human intestinal epithelial cell line, as well as their effects on plasma membrane permeability, the reactive oxygen species (ROS) generation, and trophozoite adherence were assessed by MTT assay. Effects of oral administration of REE and its main constituents at doses 10 and 20mg/kg on the number of Giardia cysts, the serum level of electrolytes of sodium (Na+) and potassium (K+), as well as the gene expression of inflammatory genes of TNF-α, IL-1β, IL-10, NF-κB p65, and Toll-like receptor 4 (TLR4)) were assessed. The 50% inhibitory concentrations (IC50) value of REE, MC, CP, LN and MTZ against G. lamblia cysts was 26.7, 32.1, 35.3, 45.1, and 42.1µg/mL, respectively; indicated that REE, MC, and CP displayed high antigiardial effects in comparison with MTZ. The obtained 50% cytotoxic concentration (CC50) value of REE, MC, CP, LN, and MTZ on HIEC-6 cells was 279.1, 363.4, 394.2, 478.3, and 422.1µg/mL, respectively. REE and its main compounds significantly (p < 0.001) increased the plasma membrane permeability and ROS generation in Giardia trophozoites, while, reduced the Giardia trophozoites adherence. In vivo, REE, MC, CP, and LN mainly at the dose of 20mg/kg considerably reduced the number and viability of Giardia cysts, modulated the serum level of electrolytes Na and K in the infected mice compared with the mice treated with MTZ (P < 0.01); whereas inhibited the inflammation cytokines in the infected mice compared with the mice treated with MTZ (p < 0.001). The current investigation showed that R. epapposum essential oil and its main compounds controlled the Giardia infection in mice by inhibiting inflammation, and serum electrolyte imbalance. After confirmation in further studies, these compounds may be considered for development as a novel therapeutic option for the treatment of giardiasis.

ORGANIC GEOCHEMISTRY OF ROCKS OF THE MIDDLE MEMBER OF THE VENDIAN KHARAYUTEKH FORMATION (Chekurovka Anticline, northeastern framing of the Siberian Platform)

The results of a geochemical study of rocks and dispersed organic matter (OM) of the middle member of the Vendian Kharayutekh Formation of the Chekurovka Anticline (Kharaulakh anticlinorium of the Verkhoyansk fold-and-thrust belt) close to the Siberian Platform border are presented. Its rocks are found to be unevenly enriched with OM, the maximum present organic carbon content (Corg) reaches 2.6%. The composition and distribution of chemofossils in saturated and aromatic bitumen fractions were studied using gas chromatography and gas chromatography-mass spectrometry. The distributions of alkanes, steranes, terpanes, dibenzothiophenes, and aromatic steroids as well as light isotopic composition of Corg indicate a bacterial-algal origin of OM. Rocks of the middle member of the Kharayutekh Formation originally possessed a high generative potential. Analysis of pyrograms, bitumen characteristics, and the distributions of phenanthrenes and dibenzothiophenes allowed assessing the regional catagenesis of the OM in Vendian deposits in this area corresponding to the early dry gas «window». It was established that the studied bitumens are classified as residual and bare evidence of autochthonous and paraautochthonous origins, with biodegraded hydrocarbons. The study demonstrates the local effect of magmatism on the content and composition of bitumens in the near-contact zone of the section. Intrusion of a thick diabase sill resulted in depletion of generative potential of these rocks in the upper part of the section already in the Cambrian period. The considered information gives us more grounds to assume that accumulations of highly viscous heavy oils and solid bitumens, genetically related to the OM of the middle member of the Kharayutekh Formation, might be expected in the Vendian and Cambrian carbonate and terrigenous reservoirs in the north of the Verkhoyansk Trough. The preservation of gas and gas condensate accumulations is unlikely to be good.

Chemical Composition and Anti-sickling Activity of the Essential Oil From the Leaves of Lantana Montevidensis (Spreng.) Briq (Verbenaceae) Growing Wild in the Western Region of Democratic Republic of Congo.

Lantana montevidensis (Spreng.) Briq. is a shrub native to South American countries. In Congolese traditional medicine, its leaves are used as herbal tea or in steam inhalation therapy for the treatment of respiratory disorders. The goal of this study was to determine the chemical composition and the anti-sickling activity of the essential oil obtained from the leaves of this species growing wild in the Democratic Republic of Congo. Previous studies on the chemical composition of this species essential oil showed that it is mainly rich in sesquiterpene hydrocarbons such as (E)-caryophyllene, germacrene-D, (Z)-caryophyllene, valencene, bicyclogermacrene, (E)-nerolidol, β-selinene, sabinene, γ-terpinene, and β-elemene in different ratios. The gas chromatography-mass spectrometry analysis of our oil revealed that it is rather rich in monoterpenes, with geranial (24.13%), neral (17.73%), limonene (8.27%), γ-terpinene (2.81%), p-cymene (2.36%), geraniol (2.33%), nerol (1.52%), citronellol (1.37%), linalool (1.24), and carvone (1.20%) as major constituents. Germacrene D (4.21%), α-elemol (3.53%), and β-caryophyllene (1.08%) were the only main sesquiterpenes detected, besides 6-methyl-5-hepten-2-one (3.51%). The Emmel test performed on this essential oil displayed a strong anti-sickling activity at the concentration of 625µg/mL.