Gas Chromatography-mass Spectrophotometry Research Articles

Analysis of Bioactive Secondary Metabolites Produced by Endophytic Bacillus amyloliquefaciens against Rice Sheath Blight Pathogen Rhizoctonia solani

Background: Bacterial endophytes live inside the plant tissues and are known to play a crucial role in the functioning of host plants by influencing their physiology and development. Moreover, this group of bacteria could produce secondary metabolites to suppress plant pathogens and also produce compounds to promote plant growth. Methods: In this present study, Bacillus amyloliquefaciens was isolated from Oryzae officinalis and screened for antifungal activity against rice sheath blight pathogen, Rhizoctonia solani by dual culture assay. The secondary metabolites produced during the interaction of B. amyloliquefaciens with R. solani were characterized with pathogen-inoculated control and antagonist inoculated control through Gas Chromatography-Mass Spectrophotometry (GC-MS). Result: The isolated Bacillus amyloliqufaciens displayed antagonistic activity against Rhizoctonia solani which showed a 63% inhibiton in the mycelial growth of R. solani over control. Analysis of secondary metabolites from the zone of inhibition, confirmed the presence of unique biomolecules including -Propanamine, N,N,2-trimethyl, 1(2H)-Naphthalenone, 3,4-dihydro-6,7-dimethyl, Diethyl Phthalate, Dichloroacetic acid tridecyl ester, Hexadecen-1-ol trans-9, Glycine N-(N-glycyl-L-leucyl) and 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl of antifungal and antimicrobial nature.

Pharmacokinetics of bromoform in dairy heifers

ABSTRACT Aims To determine the pharmacokinetics in dairy heifers after oral and IV administration of bromoform, a potential antimethanogenic agent found in red seaweed, Asparagopsis spp. Methods Twenty-four dairy heifers with a mean weight of 319 (SD 36.9) kg were used. The study was conducted in two phases, and each cohort of 12 heifers received an escalating dose of bromoform. In the first phase, 12 heifers successively received doses of 200, 400, 800, and 1600 mg of bromoform orally, separated by a 72-hour washout period. In the second phase, a different cohort of 12 dairy heifers was used. Each heifer received a total of four doses of bromoform separated by a wash-out period of 72 hours. Sequentially the treatments were (for each of the 12 heifers) an oral dose of 50 mg, followed by an IV dose of 50 mg, followed by an oral dose of 100 mg and finally an IV dose of 100 mg. Blood samples were assayed by gas chromatography-mass spectrophotometry for bromoform and dibromomethane to estimate the pharmacokinetic parameters using a non-compartmental analysis. Results Bromoform was rapidly absorbed as indicated by a short time to the maximum observed concentration of 15 minutes. For the routes of administration and dose ranges investigated, the mean terminal half-life ranged from 0.32 (SE 0.03) hours to 5.73 (SE 1.64) hours when administered orally or IV. With values for the mean area under the curve (AUC) to dose ratio ranging from 0.25 (SE 0.04) to 0.82 (SE 0.19) for oral and 1.39 (SE 0.39) to 4.02 (SE 0.37) for IV administration, bromoform appeared to exhibit non-proportional pharmacokinetic behaviour. The mean absolute bioavailability was 39.13 (SE 10.4)% and 3.36 (SE 0.83)% for 50-mg and 100-mg doses, respectively. Conclusions and clinical relevance Bromoform is rapidly absorbed and exhibits dose dependent elimination kinetics.

Study of the chemical components of CO2 extracts from the fruits of Sorbus aucuparia L.

The article presents the results of the study of the chemical composition of Sorbus aucuparia L. СО2 subcritical extract. For the first time in Kazakhstan, 20 grams of brown Sorbus aucuparia L. extract were collected using subcritical carbon dioxide extraction. The current study was directed mainly to the chemical compositions of subcritical Sorbus aucuparia L. СО2 subcritical extract. The Sorbus aucuparia L. extract's chemical compositions were determined using gas chromatography/mass spectrophotometry (GC-MS). The extract included the following main compounds: 5-Methyl-2(3H)-furanone (30.18 %), 5-(3-Ethoxy-4,5-dihydro-isoxazol-5-yl)-5-methyl-imidazolidine-2,4-dione (3.20 %), 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl (2.53 %). Determined fatty acid profile and the moisture content of raw vegetable ingredients of Sorbus substance. Quantitative determination of fatty acids of ethanol extract was carried out. The results of the analysis for fatty acids in the study showed that linoleic (37.7 %) and oleic (50.5 %) were the most prominent fatty acids. The aim of this study is to determine the component composition by using the GC-MS method and fatty acid to study the Sorbus aucuparia L. extract obtained by CO2 extraction, which grows in Kazakhstan. Materials and methods. To determine the possibility of using Sorbus aucuparia L., we carried out the composition and fatty acid of the extract obtained by CO2 extraction in subcritical conditions of Sorbus aucuparia L. by a certain GC-MS method. Results. The raw materials of the plant were collected in accordance with GACP requirements. Conducted subcritical CO2 extraction of plant raw materials showed a 20 g extraction yield. Chemical compounds were discovered, bioactive components were identified, such as 5-Methyl-2(3H)-furanone (30.18 %), 5-(3-Ethoxy-4,5-dihydro-isoxazol-5-yl)-5-methyl-imidazolidine-2,4-dione (3.20 %), 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl (2.53 %). Conclusions. The possibility of using the obtained CO2 extract of Sorbus aucuparia L. in the field of pharmaceutical products as a substance and a drug

Phytochemical profiling and GC-MS analysis of methanolic leaf extract of Persicaria hydropiper (L.) H. Gross: An important ethnomedicinal plant

Medicinal plants are the best source of alternative medicine and are acquiring recognition in the area of pharmacological research for the production of plant-based medicines with improved efficacy. Persicaria hydropiper (L.) H-Gross is known worldwide for its use in traditional medicine systems. It possesses numerous therapeutic properties. The present endeavor was taken up to analyze the phytochemical profile and antioxidant activity by DPPH assay of various extracts of Persicaria hydropiper leaves. The preliminary phytochemical screening of acetone, methanol, and aqueous extract of P. hydropiper leaves showed the presence of important phytochemicals such as phenols, tannins, flavonoids, glycosides, terpenoids, and alkaloids. The quantitative estimation revealed elevated amounts of total phenols, flavonoids, tannins, and total alkaloid content. The antioxidant activity also revealed higher radical scavenging activity by the extracts. The Gas Chromatography-Mass Spectrophotometry assay of methanol extract of P. hydropiper leaves detected and identified altogether 54 phytocompounds including 7 major compounds displaying higher peaks such as Andrographolide, 1H-cyclopropa[a] naphthalene, 1a,2,3,5.6,7a7b-octahydro-1,1,7,7a-tetramethyl-[1aR-(1a?,7?,7a?,7b?)-, Cis-Z alpha bisabolene epoxide, 1,8-cyclopentadecadiyne, Aromadendrene oxide (2), Bicyclo[4.1.0]heptane-3-cyclopropyl 7-hydroxymethyl, (cis) and Alpha-guanine. The concentration of phenols, flavonoids, and tannins revealed in the phytochemical profiling of three extracts might be responsible for the strong antioxidant activity of the extracts and the bioactive compounds identified in the GC-MS investigation exhibit important therapeutic properties required for the treatment of various human diseases. Thus, the medicinal use and properties of Persicaria hydropiper may be attributed to the presence of these phytochemical constituents. Further study of the compounds may provide scope for the production of novel drugs with increased efficacy and potency with the ability to cure harmful human diseases.

Petroselinum crispum L., essential oil as promising source of bioactive compounds, antioxidant, antimicrobial activities: In vitro and in silico predictions

This exploratory study aims to identify the volatile compounds in PC-Eo (Petroselinum crispum L. essential oil) and evaluate its antioxidant and antimicrobial properties in vitro. Molecular docking, drug-likeness prediction, and pharmacokinetics (absorption, distribution, metabolism, excretion, and toxicity—ADMET) were among the in silico simulations that were used to explain the biological properties observed in vitro. For PC-Eo's chemical screening, gas chromatography-mass spectrophotometry (GC-MS) was employed. The antioxidant activity of PC-Eo was evaluated using five in vitro complementary techniques, including 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonate) (ABTS) radical scavenging activity, β-Carotene bleaching test (BCBT), reducing power (RP), and phosphomolybdenum assay (TAC). GC-MS analysis revealed that the primary components of PC-Eo are apiol (49.05 %), Myristicin (21.01 %), and 1-allyl-2,3,4,5-tetramethoxybenzene (13.14 %). The results of the in vitro antioxidant assays indicate that PC-Eo exhibits a superior antioxidant profile. The in vitro antimicrobial activity of PC-Eo was assessed against five strains, including 2 g-positive bacteria, 2 g-negative bacteria, and one fungal strain (Candida albicans). The disc-diffusion assay revealed significant antibacterial and antifungal activities against all strains, with zones of inhibition exceeding 15 mm. The microdilution test highlighted the lowest MIC and MBC values with gram-positive bacteria, ranging from 0.25 to 0.5 % v/v for MIC and 0.5–1.0 % v/v for MBC. For the fungal strain, MIC was recorded at 1.25 % and MFC at 2.5 % v/v. PC-Eo demonstrates bactericidal and fungicidal activity based on the MBC/MIC and MFC/MIC ratios. According to the ADMET study, the primary PC-Eo compounds have advantageous pharmacokinetic characteristics. These findings provide empirical support for the traditional uses of this plant and indicate its possible use as a natural remedy.

Bioactivity of Papua Red Fruit Extract (Pandanus conoideus L.) Against Superoxide dismutase, Malondialdehyde and Blood Glucose of Rat (Rattus norvegicus L.) Hyperglycemia

Red fruit (Pandanus conodus L.) is a plant native to Papua, ethnomedical used as a traditional medicine with a wide spectrum of pharmacological effects. However, research on the bioactivity of red fruit is still very poorly reported. The aim of this study was to characterize the bioactive content, antioxidant bioactivity and the effect of lowering blood glucose in hyperglycemic rats. Red fruit has extracted used the maceration method with 95% ethanol. Analysis of active compound content using Gas Chromatography Mass Spectrophotometry (GC MS). Analysis of Malondialdehyde (MDA), Superoxide dismutase (SOD) and blood glucose levels was carried out using the in vivo method using white rats. The research results showed that red fruit ethanol extract contained 173 compounds from six main groups of compounds. Red fruit extract has effective in reducing MDA levels in hyperglycemic mice. K4 and K5 treatments were the best treatments for reducing MDA. Red fruit extract affects the duration of induction of increased SOD in hyperglycemic rats. Treatments K4 and K5 were the best treatments for SOD induction. Red fruit extract affects reducing blood glucose in hyperglycemic mice. Red fruit extract has antioxidant activity and lowers blood glucose. Red fruit extract has the potential to be developed as a source of bioactive antioxidants and antidiabetics.
 
 Keywords: Glucose, hyperglycemia, malondialdehyde, superoxide dismutase

Phytochemical screening and antibacterial activity testing of n-hexane extract from Barringtonia asiatica seeds

Barringtonia asiatica, a marine plant belonging to the Lecythidaceae family, exhibits bioactivity in all parts of the plant. In the Simeulue region, the seeds of this plant are used for fish trapping. The polar extracts of B. asiatica seeds has shown antibacterial activity, but the non-polar extracts has not been studied yet. Therefore, this study aimed to determine the secondary metabolites of B. asiatica using a non-polar solvent (n-hexane) and evaluate its activity against Gram-positive and Gram-negative bacteria. The extraction method employed using soxhlet extraction, and the antibacterial activity was determined using the Kirby-Bauer method. The presence of secondary metabolites in the B. asiatica seed extract was assessed using phytochemical tests, and its chemical composition was analyzed using Gas Chromatography Mass Spectrophotometry (GC-MS). The yield of n-hexane extract from B. asiatica seeds was 1.7%, and the phytochemical analysis revealed that the B. asiatica seed’s n-hexane extract contains only terpenoids compounds. The B. asistica seed’s n-hexane extract at concentration of 10% (w/v) showed the highest zone of inhibition against Staphylococcus aureus (9.3 mm) followed by Escherichia coli (9,9 mm). The GC-MS analysis showed that B. asiatica seed’s n-hexane extract contains Guaiene, Guaiene, Ledene, 9,12-Octadecadienoic acid, and Ethyl linoleate. Based on these findings, it can be concluded that B. asiatica seed's n-hexane extract exhibited antibacterial activity against S. aureus and E. coli.

GC-MS characterization of Polygonatum geminiflorum depicted by antibacterial efficacy of the biosynthesized silver nanoparticles using its leaf extract

<p>The biological synthesis of nanomaterials is drawing immense interest because of their non-hazardous nature and enormous antimicrobial application. In the present study, we explored Polygonatum geminiflorum Decne for phytochemical profiling and biosynthesis of silver nanoparticles to control soft rot/blackleg and bacterial wilt pathogens of potato through in vitro experiment. Phytochemical screening indicated the presence of important secondary chemicals including tannins, glycosides, flavonoids and terpenoids, while, gas chromatography-mass spectrophotometry (GC-MS) study of leaf extract showed the presence of 30 phytochemicals, the most prominent among which included ç-Sitosterol and n-Hexadecanoic acid. The GC–MS qualitative analysis also supported the presence of bioactive compounds responsible for metal reduction processes and synthesized nanoparticles stabilization. In vitro study showed that concentration of 100µg/mL of AgNPs and AgNPs-PE efficiently control both Erwinia carotovora and Ralstonia solanacearum. The outcomes have provided an improved protocol to use prepared AgNPs against the tested pathogens without health hazards.</p>

The association of exposure to polychlorinated biphenyls with lipid profile and liver enzymes in umbilical cord blood samples

Evidence on prenatal exposure to polychlorinated biphenyls (PCBs) and its effects on newborns and potential biological mechanisms is not well defined yet. Therefore, this study aimed to examine whether PCBs are associated with lipid profile and non-invasive markers of hepatocyte injuries in samples of blood obtained from the umbilical cord. This study included 450 mothers-newborn pairs. Umbilical levels of PCBs were measured using Gas Chromatography/Mass Spectrophotometry (GC/MS). Lipid profile including low-density lipoprotein (LDL-C), total cholesterol (TC), triglycerides (TG), and high-density lipoprotein (HDL-C), as well as liver enzymes i.e., alanine amino transferase (ALT), aspartate amino transferase (AST), γ-glutamyl-transferase (GGT) and alkaline phosphatase (ALP) were determined from umbilical cord blood samples. Quantile g-computation analysis was applied to evaluate the collective influence of PCBs on both lipid profiles and liver enzymes, along with the impact of lipid profiles on liver enzymes. Exposure to the mixture of PCBs was significantly associated with increases in ALP, AST, ALT, and GGT levels in cord blood samples, with increments of 90.38 U/L (95%CI: 65.08, 115.70, p < 0.01), 11.88 U/L (95%CI: 9.03, 14.74, p < 0.01), 2.19 U/L (95%CI:1.43, 2.94, p < 0.01), and 50.67 U/L (95%CI: 36.32, 65.03, p < 0.01), respectively. Additionally, combined PCBs exposure was correlated with significant increases in umbilical TG, TC, and LDL-C levels, with values of 3.97 mg/dL (95%CI: 0.86, 7.09, p = 0.01), 6.30 mg/dL (95%CI: 2.98, 9.61, p < 0.01), and 4.63 mg/dL (95%CI: 2.04, 7.23, p < 0.01) respectively. Exposure to the mixture of lipids was linked to elevated levels of AST and GGT in umbilical cord blood samples. Furthermore, a noteworthy mediating role of TC and LDL-C was observed in the association between total PCBs exposure and umbilical cord blood liver enzyme levels. Overall our findings suggested that higher levels of umbilical cord blood PCBs and lipid profile could affect liver function in newborns.

Comparison of Chemical Composition and Antioxidant Activity of Extracted Zingiberaceae Rhizome using Subcritical Water Extraction

In Malaysia, many local herbs can take advantage of their benefit for health products, cosmetics, and food production. In this research, fresh Zingiberacea rhizomes including Curcuma Longa, Curcuma Zedoaria, Curcuma Xanthorrhiza, Zingiber Officinale, and Zingiber Zerumbet rhizomes were extracted using the subcritical water extraction (SWE) unit located at AM Zaideen Ventures Sdn Bhd in Kuala Lumpur (Malaysia). The focus of this research is to analyze the freeze-dried powder extracts from the fresh Zingiberaceae rhizome for the phytochemical screening and bioactive compounds. Operating parameter used in the extraction process was fixed at temperature of 110°C, pressure at 10 bar and extraction time of 15 minutes. The freeze-dried powder extracts were screened for its phytochemicals inclusive alkaloids, steroids, terpenoids, glycosides, tannin and saponin. For bioactive compounds analysis, extracts were evaluated for Total Phenolic Content, Total Flavonoid Content, DPPH scavenging activity assay, and bioactive compound using Gas-Chromatography Mass Spectrophotometry analysis. The results show that there was a different presence of phytochemicals compounds in different Zingiberaceae extracts. At 10mg/ml concentration of powder extract, Zingiberaceae rhizomes showed variations in total phenol and flavonoid content, ranging from 134.65 to 285.19 mg GAE/g and from 22.58 to 181.62 mg QE/g, respectively. For DPPH radical scavenging activity, observed at 10mg/ml of freeze-dried extract, all Zingiberacea demonstrated significance antioxidant activity of more than 85% inhibition. Bioactive compounds detected in Zingiberaceae rhizomes shows significance quality. This finding supports the exploration of indigenous herbs market in Malaysia and the potential of water-based extracts on fresh Zingiberaceae rhizomes.

Evaluation and chemical characterization of bioactive secondary metabolites from endophytic fungi associated with the ethnomedicinal plant Bergenia ciliata

Abstract The objective of this work was to assess the bioactive potential of endophytic fungi, Colletotrichum brevisporum (JPSK3), Pestalotiopsis microspora (JPSK19), and Guignardia mangiferae (JPSK25), from Bergenia ciliata. The antibacterial effects were determined by the well diffusion technique against human pathogens (Staphylococcus aureus, Escherichia coli, Bacillus cereus, and Salmonella typhi) and they showed good activities. In the antioxidant assay, the fungal extract P. microspora shows higher free radical scavenging effects in 2,2-diphenyl-1-picrylhydrazyl (82.48%), hydrogen peroxide (84.91%), superoxide (78.85%), and reducing power absorbance of 0.125 at a dosage of 125 g/mL than other two fungi. The fungal extract was also subjected to phenol and flavonoid quantifications. The fungus P. microspora shows the highest phenol (89.56 0.03 mg of GAE/g of extract) and flavonoid (51.52 0.69 mg of quercetin equivalents/g of extract), respectively. The chemical composition of abundant biologically active compounds was determined by gas chromatography-mass spectrophotometry (GC-MS). Furthermore, it was confirmed through spectral and analytical analysis (thin layer chromatography, ultraviolet, Fourier transform infrared spectroscopy, high-performance liquid chromatography, GC-MS, and nuclear magnetic spectroscopy). In P. microspora, the compound phenol, p-tert-butyl (C10H14O), was confirmed for the first time. This fungal compound could be a potential alternative medicine in the future. This is the first work on endophytic fungal studies of ethnomedicinal plant Bergenia ciliata.

The metabolomic profile of Garcinia intermedia leaves with several sample drying methods

Garcinia intermedia, commonly called cherry mangosteen or lemon drop mangosteen, originates from Mexico and Central America. This plant is not cultivated in Indonesia because the fruit is less tasty than mangosteen (Garcinia mangostana). Information about the metabolome content in Garcinia intermedia needs to be known to increase its commercial use. Several studies have shown that this species has anti-microbial content that benefits health. This study aims to perform metabolomics profiling in the leaves of Garcinia intermedia using 3 (three) treatments of leaves drying methods such as air-dried (room temperature), freeze-drying, and oven (hot air) through Gas Chromatography-Mass Spectrophotometry (GC-MS). The results identified a total of 35 different compounds in the leaves of Garcinia intermedia. The highest area pct was Friedelan-3-one (29.92%) obtained from air-dried preparation method. The other identified compounds were the sesquiterpenes group (beta-Caryophyllene, gamma-Muurolene, Naphthalene,1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1- (1-methylethyl)-,(1S-cis)-, and 1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene), Alkane group (Octadecane and Heptacosane) and vitamin E (delta-Tocopherol and dl-alpha-Tocopherol). This study revealed the insight of potential uses of Garcinia intermedia leaves extract with additional functional metabolites that could further be used to discover potential drugs that benefits for human health.

Validating Interactions of Pathogenic Proteins of Staphylococcus aureus and E. coli with Phytochemicals of Ziziphus jujube and Acacia nilotica.

This study focused on the assessment of the antimicrobial resistance of Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli) isolated from bovine mastitis milk samples and the revealing anti-mastitis potential of phytocompounds of Ziziphus jujube and Acacia nilotica through molecular docking analysis. The mastitis milk samples were collected from various dairy farms for the isolation of the bacteria (S. aureus and E. coli) and their response to antibiotics. Ethanolic extracts of both plants were prepared. Their antibacterial activity was evaluated, and they were processed for phytochemical analysis after which, molecular docking analysis with pathogenic proteins of the bacteria was carried out. Parametric and non-parametric statistical analyses were performed to reach the conclusions of this study. The findings of the study revealed a higher drug resistance (≥40%) of E. coli against ampicillin, amikacin, and vancomycin, while S. aureus exhibited the highest resistance to ampicillin, erythromycin, and ciprofloxacin. The ethanolic extracts of the Ziziphus jujube and Acacia nilotica plants produced a ZOI between 18 and 23 mm against multidrug-resistant S. aureus and E. coli. Gas chromatography-mass spectrophotometry (GC-MS) was used to explore 15 phytocompounds from Ziziphus jujube and 18 phytocompounds from Acacia nilotica. The molecular docking analysis of 2cyclopenten-1-one,3,4,4 trimethyl and Bis (2ethylhexyl) phthalate of Ziziphus jujube showed a binding affinity of -4.8 kcal/mol and -5.3 kcal/mol and -5.9 kcal/mol and -7.1 kcal/mol against the DNA Gyrase and toxic shock syndrome toxin-1 proteins of S. aureus and E. coli, respectively. The suberic acid monomethyl ester of Acacia nilotica showed a binding affinity of -5.9 kcal/mol and -5 kcal/mol against the outer membrane protein A and Topoisomerase IV protein of E. coli and -5.1 kcal/mol and -5.8 kcal/mol against the toxic shock syndrome toxin-1 and Enterotoxin B proteins of S. aureus. Similarly, 2,2,4-trimethyl-1,3-pentanediol di-iso-butyrate showed a binding affinity of -6.5 kcal/mol and -5.3 kcal/mol against the outer membrane protein A and Topoisomerase IV of E. coli and -5.2 kcal/mol and -5.9 kcal/mol against the toxic shock syndrome toxin-1 and Enterotoxin B proteins of S. aureus, respectively. The study concluded that there was an increasing trend for the antimicrobial resistance of S. aureus and E. coli, while the Ziziphus jujube and Acacia nilotica plant extracts expressed significant affinity to tackle this resistance; hence, this calls for the development of novel evidence-based therapeutics.

Unveiling the Chemical Profiling Antioxidant and Anti-Inflammatory Activities of Algerian Myrtus communis L. Essential Oils, and Exploring Molecular Docking to Predict the Inhibitory Compounds against Cyclooxygenase-2.

Considering the large spectrum of side effects caused by synthetic drugs and the development of natural alternatives utilizing Algerian flora, this study aimed to place a spotlight on the chemical profile and antioxidant and anti-inflammatory activities of Myrtus communis L. essential oils (MCEOs). In this study, essential oils (EOs) were collected via hydro-distillation of the plant's leaves, and a chemical constituent analysis was performed using gas chromatography-mass spectrophotometry (GC-MS). The in vitro antioxidant activity was evaluated using DPPH, ABTS, and hydroxyl radical scavenging tests. The in vitro anti-inflammatory capacity was estimated by studying the antidenaturation effect using bovine serum albumin (BSA) as a protein model. The in vivo anti-inflammatory activity was carried out by utilizing the classical model of carrageenan-induced paw edema in rats, using diclofenac (DCF) as the reference drug. Moreover, the molecular interaction of the compounds obtained from the GC-MS analysis was studied within the binding site of cyclooxygenase-2 (COX-2) using an in silico approach as the confirmatory tool of the in vitro and in vivo experiments. The GC-MS analysis revealed that MCEOs were mainly composed of oxygenated monoterpenes (70.56%), oxygenated sesquiterpenes (3.1%), sesquiterpenes (4.17%), and monoterpenes (8.75%). Furthermore, 1,8-cineole was the major compound (19.05%), followed by cis-geranyl acetate (11.74%), methyl eugenol (5.58%), α-terpineol (4.62%), and β-myrcene (4.40%). MCEOs exhibited remarkable concentration-dependent free radical scavenging activity, with an IC50 of 15.317 ± 0.340 µg/mL, 18.890 ± 2.190 µg/mL, and 31.877 ± 0.742 µg/mL for DPPH, ABTS, and hydroxyl radical, respectively. The significant in vitro anti-inflammatory activity due to the inhibition of BSA denaturation was proportional to the EO concentration, where the highest value was recorded at 100 μg/mL with an approximately 63.35% percentage inhibition and an IC50 of 60.351 ± 5.832 μg/mL. MCEOs showed a good in vivo anti-inflammatory effect by limiting the development of carrageenan-induced paw thickness. The in silico study indicated that, among the 60 compounds identified by the GC-MS analysis, 9 compounds were observed to have a high binding energy to cyclooxygenase-2 as compared to diclofenac. Our study revealed that EOs from Algerian Myrtus communis L. can be considered to be a promising candidate for alleviating many debilitating health problems and may provide new insights in the fields of drug design, agriculture, and the food industry.

Bioactive compounds of Citrullus colocynthis aerial parts: characterization and biological properties

In this study, the bioactive components of Citrullus colocynthis extracts were analyzed in view of their potential use as antioxidant/antibacterial agent. The bioactive compounds were extracted in different organic solvents (hexane, ethanol and ethyl acetate) and analyzed by column chromatography, thin-layer chromatography, high-performance liquid chromatography and gas chromatography-mass spectrophotometry (GC-MS). Three distinct fractions were collected and subsequently examined, one from ethyl acetate extraction (I) and two from ethanolic extraction (II and III). p-Coumaric acid was the major phenolic acid from the ethyl acetate extracts (0.11 ± 0.023 mg/kg) while resorcinol was the major phenolic compound from the ethanol extracts (25.00 ± 3.21 mg/kg). Twenty-four bioactive compounds were identified by GC-MS analysis where 1-docosanol pentafluoropropionate was the major bioactive compound in ethanol extracts. Among the ethanol extracts, the highest antioxidant activity was found in fraction III. The highest anti-bacterial activity values, measured in terms of the size of the inhibition zone (mm) against Bacillus cereus and Staphylococcus aureus, i.e. 24 ± 1.62 and 22 ± 2.19 mm, respectively, were attained at 24 µg/mL for fractions III and I. From the results achieved in this work, ethanol extracts of C. colocynthis aerial parts could be considered promising as antioxidant and anti-infectious agents.

Tailoring the bandgap of zinc indium sulfide/boroncarbonitride heterostructure for efficient photocatalytic CO2 reduction

Many efforts have been devoted to the reduction of atmospheric CO2 and the development of a route map for sustainability in the energy and environmental sectors. The present work describes the bandgap tailoring of the ternary metal sulfide ZnIn2S4 (ZIS) with two-dimensional (2D) boroncarbonitride (BCN) and a constructed heterostructure. The ratio of BCN to ZIS has been varied in different ratios and examined for morphological, structural, and optical characterization. The crystalline structure of the synthesized materials was subjected to Materials Studio software, which examined the geometry, stacking, and interaction between ZIS and layered BCN. ZIS/BCN-1 is found to be efficient compared to all other counter catalysts under study. Diffuse reflectance infrared Fourier transform (DRIFT) and Gas Chromatography Mass spectrophotometry (GC-MS) analysis confirm the formation of carbon monoxide and methane gas. In the presence of ZIS/BCN-1, it was found to produce 158 and 57 μmol g−1h−1 of CO and CH4, respectively, during CO2 reduction under visible light. The effect of sacrificial agents has been investigated, and found that triethanolamine (TEOA) showed enhanced activity compared to others. The mechanism of photocatalysis has been discussed in detail and found to form type-II heterostructure through the interface between ZIS and BCN. The stability of ZIS/BCN-1 is good even after 5 cycles of the CO2 reduction experiment, and no structural changes were found.

Antioxidant, Volatile Compounds; Antimicrobial, Anti-Inflammatory, and Dermatoprotective Properties of Cedrus atlantica (Endl.) Manetti Ex Carriere Essential Oil: In Vitro and In Silico Investigations.

Cedrus atlantica (Endl.) Manetti ex Carriere is an endemic tree possessing valuable health benefits which has been widely used since time immemorial in international traditional pharmacopoeia. The aim of this exploratory investigation is to determine the volatile compounds of C. atlantica essential oils (CAEOs) and to examine their in vitro antimicrobial, antioxidant, anti-inflammatory, and dermatoprotective properties. In silico simulations, including molecular docking and pharmacokinetics absorption, distribution, metabolism, excretion, and toxicity (ADMET), and drug-likeness prediction were used to reveal the processes underlying in vitro biological properties. Gas chromatography-mass spectrophotometry (GC-MS) was used for the chemical screening of CAEO. The antioxidant activity of CAEO was investigated using four in vitro complementary techniques, including ABTS and DPPH radicals scavenging activity, ferric reductive power, and inhibition of lipid peroxidation (β-carotene test). Lipoxygenase (5-LOX) inhibition and tyrosinase inhibitory assays were used for testing the anti-inflammatory and dermatoprotective properties. GC-MS analysis indicated that the main components of CAEO are β-himachalene (28.99%), α-himachalene (14.43%), and longifolene (12.2%). An in vitro antimicrobial activity of CAEO was examined against eleven strains of Gram-positive bacteria (three strains), Gram-negative bacteria (four strains), and fungi (four strains). The results demonstrated high antibacterial and antifungal activity against ten of them (>15 mm zone of inhibition) using the disc-diffusion assay. The microdilution test showed that the lowest values of MIC and MBC were recorded with the Gram-positive bacteria in particular, which ranged from 0.0625 to 0.25 % v/v for MIC and from 0.5 to 0.125 % v/v for MBC. The MIC and MFC of the fungal strains ranged from 0.5 to 4.0% (MIC) and 0.5 to 8.0% v/v (MFC). According to the MBC/MIC and MFC/MIC ratios, CAEO has bactericidal and fungicidal activity. The results of the in vitro antioxidant assays revealed that CAEO possesses remarkable antioxidant activity. The inhibitory effects on 5-LOX and tyrosinase enzymes was also significant (p < 0.05). ADMET investigation suggests that the main compounds of CAEO possess favorable pharmacokinetic properties. These findings provide scientific validation of the traditional uses of this plant and suggest its potential application as natural drugs.

Biodegradation of Synthetic Reactive Orange 16 Dye in Anaerobic Reactor Conditions

Industrial use of azo dyes has been linked to severe environmental damage in the textile and apparel sectors. The breakdown products of many azo dyes are poisonous and mutagenic, posing a threat to human health and the environment. Hence, azo dye wastewater bioremediation is gaining interest. The objective of this study was focused on the biodegradation of an azo dye, Reactive Orange 16 (RO16), in an anaerobic continuous tank reactor operated with digested sludge sample. The digested sludge was used as the organic biodegradation agent for azo dye. The aim was to investigate the fate of the anaerobic RR16 breakdown products during the degradation process. Gas Chromatography-Mass Spectrophotometry (GC-MS) was used to identify RO16 biodegradation metabolites and their corresponding molecular weight. As a result, RO 16 showed about 85.91% decolorization capacity, and the degradation metabolites were detected as pentanoic acid and phenol after seven days of incubation. The degradation mechanism was completed as the azo bond of RO16 was successfully cleaved based on the result of GC-MS, and the proposed pathway of the degradation mechanism is described. The digested palm oil sludge with dye degradation enzymes may provide new avenues for biological waste treatment, especially wastewater bioremediation.

A study on the volatile compounds in Japanese alcoholic beverage (Awamori) produced from Thai rice varieties

Awamori is a famous alcoholic beverage brewed in the Southern part of Japan. Thai rice is well known and there are many varieties of rice including white rice and pigmented rice. This research aimed to study the properties and volatile compounds of Awamori produced from five Thai rice varieties including KDML105, Chainat, RD6, brown KDML105, and riceberry rice. Rice koji was prepared by inoculating the steamed rice with tane-koji from Aspergillus awamori at 0.2% by weight. Then, water and Saccharomyces cerevisiae were added and alcoholic fermentations were performed at around 2 weeks. The production of alcohol and pH changes during the liquid fermentation were monitored, and volatile compounds of the Awamori were determined by gas chromatography-mass spectrophotometry (GC-MS). The highest soluble solid and alcohol content were observed in the fermentation of KDML 105. The alcohol content after 2 weeks of fermentation ranged from 14.5-18 %, with the pH around 4.02-4.5. The same volatile compounds, ethyl alcohol, isobutyl alcohol, isoamyl alcohol, phenylethyl alcohol, isoamyl acetate, ethyl laurate, ethyl linoleate, with the flavor descriptions as alcohol, wine-like, mushroom-like, floral, rose, fruity, banana, sweet, ice-cream, mild fatty, oily, and honey-like odors were detected in all samples from Thai rice while KDML105 presented greater diversity of volatile compounds than the other Thai rice.

Biodegradation of Phenol Tainted Industrial Effluent by Exogenous Bacterial Isolates Bio-Mined from Crude Oil Polluted Soil

Phenol in industrial effluent is a major under-reported pollutant of concern to the aquatic ecosystem. In the current study, the effluent was obtained from Eleme Petrochemical Limited, Rivers State Nigeria. Baseline analyses were conducted to ascertain physico-chemical and microbiological parameters. Exogenous bacterial species were isolated from crude oil polluted in Ogoniland. The inoculum was standardized using the MacFarland approach. About 1% inoculum was seeded into the 100 mL effluent for the Pseudomonas aeruginosa, Micrococcus sp, Bacillus tequilensis and consortia. The setup was monitored using Gas Chromatography-Mass spectrophotometry while the acute toxicity was calculated using the Probit method. The acute toxicity of the set-up seeded with Pseudomonas aeruginosa was 718.8 mg/L while the consortia had 941.2 mg/L. The phenol residues were reduced by 100% while the 2-nitrophenol was reduced from 5.13 µg/L to 0.82 µg/L on the 10th day of the study. The remarkable reduction of the phenol residues with the use of microbial cultures goes to show the efficiency of locally sourced feedstock as tools for the degradation of pollutants. There is an urgent need for academia to develop robust microbial bio-mining and culture collection centers for futuristic and commercial use.