Gas Chromatographic Analysis Research Articles

Preliminary phase results of GC-MS analysis and cytotoxic activity of Argemone mexicana leaves methanol extract against MCF-7 cell lines

Argemone mexicana leaves (AML) contain a variety of bioactive components such as fatty acids, amino acids, phenolics and alkaloids, including Berberine, Isoquinoline, Scoulerine, Stylopine, Thalifone, Benzylisoquinolines, Protopine, and Tetrahydroberberine. This study aimed to examine the gas chromatography and mass spectrometry (GC-MS) analysis of AML extract and its cytotoxic activity on MCF-7 cell lines to identify an alternative source for anticancer treatment. The 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) assay was utilized to assess the viability of AML extract-treated cells, while the apoptotic assay involved Acridine orange staining to determine the mode of cell death based on morphological and nuclear fragmentation. The GC-MS analysis was used to identify the biologically active compounds. The results showed that the percentage of cell viability after AML extract treatment ranged from 28.50% to 64.28% for concentrations of 1000 to 125 μg/ml (IC50 = 258.87 μg/ml). Statistical analysis revealed a significant difference in cell viability (p < 0.05). Exposure of cells to AML extract stimulated apoptosis through membrane blebbing, cell shrinkage, cytoplasm condensation, and nuclear fragmentation. Forty-one compounds were identified by GC-MS in the AML extract. Based on the peak area, some major compounds included n-Hexadecanoic acid (palmitic acid), 9,12-Octadecadienoic acid (Z, Z)-, Phytol, 9,12,15-Octadecatrienoic acid (Z, Z, Z)-, and 1-methyl piperidine. In conclusion, the bioactive compounds are apparently responsible for the cytotoxic effects of the AML extract, and the in-vitro results highlight the extract’s potential as a source of natural anticancer drugs. However, further investigation is necessary to confirm this.

Deciphering Isotopic Fine Structures of Silylated Compounds in Gas Chromatography-Vacuum Photoionization Orbitrap Mass Spectrometry of Bio-Oils.

We introduce vacuum resonance-enhanced multiphoton ionization (REMPI) with high-resolution Orbitrap Fourier transform mass spectrometry (FTMS) for analyzing silylated polar compounds. UV laser radiation at 248 nm sensitively and selectively targets aromatic constituents, while high-resolution mass spectrometry (HRMS) enables high-performance mass spectrometric detection. This workflow enhances the detection confidence of polar constituents by identifying unique isotopologue patterns, including at the isotopic fine structure (IFS) level, in analytical standards and complex bio-oils. A direct and derivatized gas chromatography (GC) procedure on a polar standard component mixture allowed us to explore the general ionization and detection characteristics of REMPI FTMS. HRMS enabled the examination of the complex isotopologue profiles, revealing distinct patterns for the CHOxSiy-class compounds. Particularly in complex mixtures, this isobaric/isonucleonic complexity exceeded the classical mass resolution capabilities of the employed Orbitrap D30 series and prompted the usage of prolonged transients via an external data acquisition system. This procedure substantially improved mass spectrometric results by recording the unreduced time-domain transient data for up to 2 s. Notably, the ability to distinguish diagnostic isotopic pairs, such as 12C/29Si vs 13C/28Si with a mass split of ∼3.79 mDa and 13C12C/28Si29Si vs 13C2/28Si2, with an approximate mass difference of ∼3.32 mDa, demonstrates a significant and expected performance improvement. Finally, we benchmark the GC HRMS methodology to identify silylated oxygenated and nitrogen-containing constituents in ultracomplex bio-oil samples. The presented approach of utilizing the silicon isotope pattern and unique isotopologue mass splits for increasing attribution confidence can be applied beyond bio-oils toward the general GC analyses of polar oxygenates.

Composition and polymerisation products influence on the viscosity of coal tar wash oil

Wash oil is a fraction obtained by the distillation of coal tar and is primarily used for the absorption of light oil from coke oven gas. During operation, the oil undergoes polymerization and loses some components, necessitating the removal of the used oil and its replacement with fresh wash oil. The rheological properties of the studied oils were determined using a Brookfield DV2T rotational controlled-shear rate rheometer. Gas chromatographic analysis, gas chromatography/mass spectrometry, and IR spectroscopy were employed to evaluate the oil’s characteristics. By adding individual components to the wash oil, it was found that these components could be categorized into three groups: viscosity enhancers, viscosity reducers, and non-polar oil substances with medium molecular weight that have no significant effect on viscosity. The addition of relatively polar components with greater molecular weight and a planar, rigid structure leads to an increase in viscosity. Conversely, the incorporation of naphthalene and its methyl homologues, which have lower molecular weights, reduces viscosity by disrupting intermolecular interactions; their lower heats of crystallization also inhibit the formation of structured order in the liquid, further contributing to the reduction in viscosity. The most substantial increase in oil viscosity was observed with the addition of indene-coumarone resins, attributed to their high molecular weight and polymer structure.

In silico molecular interaction analysis of phytochemicals extracted from Ornithogalum narbonense flowers.

This study used various assays to analyse the antioxidant activity and phenolic content of Ornithogalum narbonense flowers. The DPPH radical scavenging activity was found to have an IC50 value of 1276.00µg/mL, the iron chelating activity was 5.12mg/mL, and the total flavonoid content was 33.14mg QE/g extract ± 4.76. Gas chromatography analysis identified various bioactive compounds, with ethane, 1,1-diethoxy- being the most dominant at 52.87% of the total area. Molecular docking studies revealed that 3,5-Di-tert-butylphenol and 9-Octadecene exhibit significant binding affinity with human ferritin L chain (2FFX), suggesting their potential to influence iron chelation activity. Toxicity evaluations showed LD50 values of 800mg/kg for 3,5-Di-tert-butylphenol and 2760mg/kg for 9-Octadecene, categorising them into toxicity classes 4 and 5. Both compounds demonstrated minimal activity across various toxicity models. However, they displayed specific interaction profiles with targets such as Prostaglandin G/H Synthase 1 and Amine Oxidase A. In-silico cytotoxicity predictions highlighted the potential anticancer activity of 3,5-Di-tert-butylphenol against Hs 683 oligodendroglioma cells and 9-Octadecene against A2058 melanoma cells. These findings emphasise the anticancer potential of O. narbonense phytochemicals and the significance of molecular docking and toxicity profiling in drug discovery.

Solubilization of n-hexadecane by micellar solutions of trehalolipid - surfactants of biological origin

Objectives. To isolate biosurfactants of glycolipid nature produced by oil hydrocarbon degrading bacteria and to establish their ability to solubilize hydrophobic compounds in the case of n-hexadecane.Methods. Trehalolipids were isolated from bacteria Rhodococcus erythropolis X5 (VKM Ac-2532 D) and Rhodococcus erythropolis S67 (VKM Ac-2533 D) included in the MikroBak biopreparation for the bioremediation of oil-contaminated territories. The genome of R. erythropolis X5 is deposited in the National Center for Biotechnology Information database under GenBank accession numbers CP044283 and CP044284, BioSample – SAMN12818508, BioProject – PRJNA573614, and SRA – PRJNA573614. The content of trehalolipid biosurfactants was estimated by the amount of trehalose in aqueous solutions of biosurfactants using the phenolsulfur method. The surface tension of the obtained aqueous solutions of biosurfactants was determined by the du Noüy ring method using a Kruss K6 tensiometer (Kruss, Germany). The critical concentration of micelle formation was determined by the inflection point on the curves of surface tension dependence on the concentration of the biosurfactant solution. In order to establish the solubilizing ability of biosurfactants, the residual concentration of n-hexadecane in an aqueous sample of different concentrations was determined using a gas chromatographic method of analysis.Results. At a constant surface tension of 24.2 mN/m and 25.0 mN/m for R. erythropolis X5 and R. erythropolis S67, respectively, the critical micelle concentration for both strains was 33 mg/L (3.8 ∙ 10−5 mol/L). The solubilizing effect of Rhodococcus trehalolipid micellar solutions against hydrophobic n-hexadecane was demonstrated by gas chromatographic analysis. The solubilization process was characterized using molar solubilization capacity (Sm), molar solubilization ratio (MSR), micelle–water partition coefficient (Km), and solubilization energy 0 (ΔGS ). It was shown that the solubilization process of n-hexadecane proceeds spontaneously 0 (ΔGS = −35.5 kJ/mol) and more efficiently (Sm = 4.3 mol/mol, MSR = 4.7 mol/mol) than in comparison with other biosurfactants of glycolipid nature.Conclusions. Based on the value of the molar solubilization coefficient, it can be concluded that trehalolipids of the R. erythropolis X5 strain solubilize n-hexadecane in aqueous solutions to a greater extent than compared to other biosurfactants of a glycolipid nature, but are inferior to synthetic surfactants.

Usability of volatile organic compounds from exhaled breath compared to those from ruminal fluid, serum, urine, and milk to identify diet-specific metabolite profiles in lactating dairy cows

To investigate dietary influences on the volatilome, the volatile subcategory of the metabolome, we performed a comparative untargeted volatilome analysis of exhaled breath, ruminal fluid, serum, urine, and milk from lactating Holstein cows fed different diets. Thirty-two cows (79.4 ± 31.3 d in milk [DIM], 30.6 ± 4.83 kg milk/d) were assigned to 4 diets. The experiment lasted 16 weeks. Throughout the experiment, half of the animals were fed a hay-based diet (HAY; n = 16), and the other half were fed a silage-based diet (SIL; n = 16). In experimental wk 5 to 12, half of the animals in each group received the control concentrate (CON), and the other half was fed with the CON supplemented with a blend of essential oils (EXP). We hypothesized that the basal diet and the essential oils influence the VOC profiles of the cows through potential changes in ruminal fermentation, digestion, and metabolism (hypothesis 1). Furthermore, we hypothesized that the potential effects of essential oils would have a delayed onset and a carryover effect (hypothesis 2). Every 4 experimental weeks, i.e., in W4, W8, W12 and W16, samples of exhaled breath, ruminal fluid, serum, urine, milk, and feed were collected for dynamic headspace extraction and gas chromatographic analysis of volatile organic compounds (VOC) in their gaseous phase. Milk yield, milk composition, body weight, and feed intake were recorded regularly. Linear mixed models and multivariate and univariate data analyses were performed. The total DMI and basal diet intake was similar between HAY and SIL cows. However, SIL cows consumed less of the concentrate, neutral detergent fiber, and water-soluble carbohydrates (WSC) and more starch than HAY cows. The SIL cows had a higher milk production than the HAY cows. No effect was found regarding the concentrate type on feed intake or milk production. Irrespective of diet, 2,957 VOC were detected in the gaseous phase of serum; 2,771 in exhaled breath; 1,016 in urine; 1,001 in milk; and 921 in ruminal fluid. Across the experimental wk 4, 8, 12 and 16, the basal diet altered the VOC profiles of ruminal fluid, urine, and exhaled breath but not those of serum and milk. The concentrate type affected only the VOC profiles of the exhaled breath. Most diet-influenced VOC in the affected biological matrices were identified as dietary components. The experimental week influenced the VOC profiles of all matrices, especially those of exhaled breath. The VOC profile of exhaled breath strongly correlated with that of urine, followed by that of ruminal fluid, milk, and serum. This study provides the first description of diet- and time-specific VOC profiles from the biological matrices of dairy cows. The identified discriminatory VOC seem suitable as markers to discriminate between HAY and SIL cows. Exhaled breath may be a promising, sensitive, and less invasive tool to follow diet- and time-related metabolic changes.

The Impact of Selected Eutectic Solvents on the Volatile Composition of Citrus lemon Essential Oil.

The development of new materials for the controlled release of molecules represents a topic of primary importance in medicine, as well as in food science. In recent years, eutectic solvents have been applied as releasing media due to their improved capacity to interact with specific molecules, offering a broad range of tunability. Nevertheless, their application in essential oil dissolution are rare and more data are needed to develop new generations of effective systems. Herein, three eutectic systems, respectively, composed of choline chloride and ethylene glycol (1:2 molar ratio), methyltriphenylphosphonium bromide and ethylene glycol (molar ratio 1:5), and choline chloride and glycerol (molar ratio 1:1.5) were tested as materials for the controlled release of an essential oil derived from Citrus lemon leaves. Through static headspace fractionation, followed by gas chromatographic analysis, the performances of the three systems were assessed. The specific composition of DESs was pivotal in determining the releasing polar molecules as aldehydes and alcohols. A sustainability ranking based on the EcoScale tool highlighted the superior characteristics of the choline chloride-glycerol DES.

Larvicidal properties of essential oils of three Artemisia species against the chemically insecticide-resistant Nile fever vector Culex pipiens (L.) (Diptera: Culicidae): In vitro and in silico studies

Abstract The objective of this study is to determine the larvicidal activity of essential oils (EOs) extracted from three plants of the genus Artemisia against the mosquito Culex pipiens (C. pipiens) using in vitro and in silico studies. A total number of 20 third- and fourth-instar larvae were exposed to various concentrations of the three plants. The LC50 and LC90 values of the tested Artemisia EOs were determined using Probit analysis. In addition, the sensitivity of C. pipiens to these EOs was determined and compared against a standard insecticide, temephos, under laboratory conditions. Furthermore, in silico assessments were carried out on the major constituents to help understand and explain the acquired in vivo results. Gas chromatography analysis identified the major compounds as d-limonene and β-pinene for Artemisia flahaultii, camphor and borneol for Artemisia. aragonensis, and artemisia ketone and caryophyllene for Artemisia annua. A. flahaultii oil showed the highest efficacy against C. pipiens larvae, followed by A. annua oil with average larvicidal activity. In contrast, A. aragonensis EO, composed of a high percentage of monoterpenes, was the least active. Docking simulation indicated that several studied ligands had promising binding scores within the receptor’s binding site compared to the reference insecticide temephos. The obtained results allow us to conclude that A. flahaultii, a species endemic to Morocco, is an excellent means of controlling C. pipiens.

Antioxidant and anticoagulant properties of myo-inositol determined in an ex vivo studies and gas chromatography analysis

Myo-inositol plays a key role in the vasculature and may be beneficial for preventing harmful environmental effects. In this study aortic rings were isolated from middle-aged (12-month-old) male Wistar rats and preincubated with myo-inositol (0.01–100 mg/L) for 2 h. A stable thromboxane A2 analog was added (0.1 nM, 2 h) to analyze vascular dysfunction. The concentration of myo-inositol in the organ baths was determined via gas chromatography. In another experiment, human blood plasma was subjected to pro-oxidant - hydrogen peroxide administration, and myo-inositol was added to analyze lipid and protein oxidation processes. The thromboplastin time, prothrombin time, and thrombin time were also studied. Myo-inositol administration protected thiol groups against oxidative stress, meanwhile decreased vascular contraction and potentiated vasodilation (concentrations 1–100 mg/L, but not ≤ 0.1 mg/L), and changed the level of 8-isoprostane (concentrations: 0.1–100 mg/L, but not 0.01 mg/L) in plasma treated with H2O2/Fe2+. A dose above 100 mg/L additionally protected lipids (measured as thiobarbituric acid reactive substances) and increased thrombin time. Moreover, significant differences in vascular relaxation were observed between the studied myo-inositol concentrations (1 vs. 10 vs. 100 mg/L), which was not detected under the 0.1 mg/L. The concentration of myo-inositol in the organ baths determined via gas chromatography revealed that this nutraceutical agent was not used by the aortic rings during the incubation period in physiological processes. A protective effect of myo-inositol against prooxidant damage to human plasma and rat thoracic arteries has been demonstrated.

Assessing the Impact of Climate Change on Methane Emissions from Rice Production Systems in Southern India

The impact of climate change on methane (CH4) emissions from rice production systems in the Coimbatore region (Tamil Nadu, India) was studied by leveraging field experiments across two main treatments and four sub-treatments in a split-plot design. Utilizing the closed-chamber method for gas collection and gas chromatography analysis, this study identified significant differences in CH4 emissions between conventional cultivation methods and the system of rice intensification (henceforth SRI). Over two growing seasons, conventional cultivation methods reported higher CH4 emissions (range: from 36.9 to 59.3 kg CH4 ha−1 season−1) compared with SRI (range: from 2.2 to 12.8 kg CH4 ha−1 season−1). Experimental data were subsequently used to guide parametrization and validation of the DeNitrification–DeComposition (DNDC) model. The validation of the model showed good agreement between the measured and modeled data, as denoted by the statistical tests performed, which included CRM (0.09), D-index (0.99), RMSE (7.16), EF (0.96), and R2 (0.92). The validated model was then used to develop future CH4 emissions projections under various shared socio-economic pathways (henceforth SSPs) for the mid- (2021–2050) and late (2051–2080) century. The analysis revealed a potential increase in CH4 emissions for the simulated scenarios, which was dependent on specific soil and irrigation management practices. Conventional cultivation produced the highest CH4 emissions, but it was shown that they could be reduced if the current practice was replaced by minimal flooding or through irrigation with alternating wetting and drying cycles. Emissions were predicted to rise until SSP 370, with a marginal increase in SSP 585 thereafter. The findings of this work underscored an urgency to develop climate-smart location-specific mitigation strategies focused on simultaneously improving current water and nutrient management practices. The use of methanotrophs to reduce CH4 production from rice systems should be considered in future work. This research also highlighted the critical interaction that exists between agricultural practices and climate change, and emphasized the need to implement adaptive crop management strategies that can sustain productivity and mitigate the environmental impacts of rice-based systems in southern India.

The effects of headspace volume reactor on the microbial community structure during fermentation processes for volatile fatty acid production.

The transition from traditional wastewater treatment plants to biorefineries represents an environmentally and economically sustainable approach to extracting valuable compounds from waste. Sewage sludge produced from wastewater treatment is incinerated or disposed of in specific landfills. Repurposing this waste material to recover valuable resources could help lower disposal costs and reduce environmental impact by producing other beneficial polymers. Microorganisms present in the sewage sludge can ferment organic pollutants, producing volatile fatty acids (VFA), precursors for biopolymers that could be used as an alternative to petroleum-derived plastics. To boost VFA production during sewage sludge fermentation, it is necessary to understand the operating microbial community and its metabolic capacities in anaerobic conditions. This study presents the influence of the headspace volume on the microbial community and the VFA production to define the best operational parameters in a 225 L pilot plant fermenter. The wasted sewage sludge was withdrawn from an oxic-settling-anaerobic plant that collected wastewater from the canteen and dormitory of the UNIPA Campus (Palermo University, Italy) and incubated using a 40% and a 60% headspace volume. The microbial community was analysed before and after the fermentation process through metataxonomic analysis, and VFA yields were determined by gas chromatography analysis. Our results showed that the 40% headspace volume induced a tenfold higher VFA production than the 60% headspace volume, modulating the microbial community's efforts to establish a VFA-producing factory. Notably, at 40% headspace, the relative abundance of bacteria, like Proteobacteria, Firmicutes, Actinobacteria, and Chloroflexi, significantly increased, as well as the relative abundance of Bacteroidetes and Verrucomicrobia decreased during the fermentation process. This result is consistent with the selection of efficient VFA-producing bacteria that lead to increased VFA yields that are not obtained at 60% headspace. Thus, reducing headspace is a promising strategy that can be implemented, even in full-scale plants, to optimise the wastewater reuse process and maximise VFA production to produce bioplastics, like polyhydroxyalkanoate, for the transition from linear wastewater treatment plants to circular biorefineries.

Metal–organic framework-based SERS chips enable in situ and sensitive detection of dissolved hydrogen sulfide in natural water: Towards a bring-back-chip mode for field analysis

Hydrogen sulfide (H2S) in natural water plays an important role in carbon and sulfur cycles in biosphere. Current detection protocol is complicated, which need to “bring back water” to lab followed by gas chromatograph analysis. In situ, field detection is still challenging. Herein, a portable, sensitive surface enhanced Raman scattering (SERS) chip was proposed for in situ H2S sampling and SERS signal stabilizing, enabling a “bring back chip” manner for lab analysis. The SERS chip was composed of single core-shell gold nanorod-ZIF-8 framework (Au NR@ZIF-8) nanoparticle. Relying on headspace adsorption, evaporated H2S was enriched in the ZIF-8 shell and then reacted with Au NR, resulting in the weakening of the Au-Br bond Raman peak (175 cm−1) and the appearance of the Au-S bond Raman peak (273 cm−1). The SERS signal reached equilibrium in 10 min. The detection range of H2S was 0.1–2000 μg/L and limit of detection was 0.098 μg/L. SERS signal was not interfered by normal volatile gases. Moreover, SERS signal of a reacted chip was stable at an ambient condition, allowing for in situ sampling and bring-back detection. The applicability of the chip was verified by dynamic H2S monitoring during artificial black-odor water evolution, and in-field quantitative analysis of H2S content in river water and sediment. Finally, the chip was sealed in a waterproof breathable membrane device, which realized the detection of vertical profiles of H2S in the river. This work provided a promising tool for field analysis of H2S in natural environments.

Vortex-assisted dispersive low-density liquid–liquid microextraction of xanthydrol derivatized acrylamide in processed chips and water samples for gas chromatographic analysis

Acrylamide, a probable human carcinogen present in heat-processed foods and environmental contaminants, requires sample extraction and preconcentration before chromatographic analysis. The method developed in this study employed derivatization with xanthydrol and dispersive liquid–liquid microextraction utilizing low-density anisole. Durian or potato chips were combined with deionized water, defatted with hexane, and subjected to precipitation of soluble carbohydrates and proteins using clarification reagents. Water samples were filtered through a membrane filter. Acrylamide was derivatized by introducing an acidic methanolic solution of xanthydrol at 50 °C. The derivatized acrylamide was extracted with 70 µL of anisole and vortexed, with the methanol from the xanthydrol solution serving as the disperser solvent. The anisole layer was analyzed using gas chromatography with both flame ionization and mass spectrometric detection. Linear calibration plots exhibited coefficients of determination >0.9997. The precision was measured at <10% RSD, and recoveries ranged from 84% to 107%. The quantitation limit varied from 2 to 10 µg kg−1 for processed chips and from 0.05 to 0.10 µg L−1 for water samples. Acrylamide was detected in all processed chip samples, with some concentrations exceeding the benchmark value of 750 μg kg−1. However, no acrylamide was identified in any of the water samples.

The Inhibitory Effect of Agastache rugosa Essential Oil on the Dental Biofilm

This study aimed to identify the inhibitory effect of Agastache rugosa essential oil (AREO) on the cariogenic properties of Streptococcus mutans, which causes dental caries and dental plaque formation. After extracting the AREO, their effects on the growth and acid production of S. mutans were examined. Furthermore, S. mutans biofilm formation was observed on the resin teeth surface. The effect on the expression of biofilm-related genes of S. mutans was measured using real-time PCR. AREO components were analyzed using gas chromatography (GC) and GC-mass spectrometry (MS). The growth and acid production of S. mutans were significantly inhibited at concentrations of 0.02 mg/mL or higher of AREO. At 0.04 mg/mL, inhibition was similar to that of the positive control, 0.1% NaF. AREO suppressed the expression of virulence factors such as gtfB, gtfC, gtfD, gbpB, SpaP, brpA, relA, and vicR at concentrations of 0.02 mg/mL or higher. As a result of GC and GC-MS analyses, the main components of AREO included estragole, limonene, and β-caryophyllene. These results suggest that A. rugosa may be a useful agent for inhibiting the cariogenic properties of S. mutans.

Gcxgclab: An R Package for Two-Dimensional Gas Chromatography Preprocessing and Analysis.

Comprehensive two-dimensional gas chromatography (GC×GC) is an established technique capable of chromatographically separating thousands of analytes in complex matrices. When coupled with highly sensitive detectors such as a high-resolution mass spectrometer, these instruments produce large multidimensional data sets. A prevailing challenge for GC×GC users is efficient data handling and analysis. Although commercial software packages exist for GC×GC data analysis, these platforms are typically optimized for low-throughput qualitative data interpretation utilizing desktop computer systems. Additionally, commercial GC×GC data processing packages offer little flexibility to explore custom or novel data processing concepts. In this work, an open-source R package, called "gcxgclab", was developed as an alternative data processing package for GC×GC users and offers data preprocessing and analysis functions including baseline correction, smoothing, phase shift, peak detection, peak alignment, extracted ion chromatogram, mass spectra extraction, mass defect analysis, and targeted and nontargeted analysis. This package was designed to be customizable and allows for batch data processing on desktops or high-performance computing systems to increase the throughput. gcxgclab is available for free on the Comprehensive R Archive Network (CRAN) at https://cran.r-project.org/web/packages/gcxgclab/index.html.

Chemical Composition, Antioxidant, Antibacterial, and Hemolytic Properties of Ylang-Ylang (Cananga odorata) Essential Oil: Potential Therapeutic Applications in Dermatology

Background/Objectives: This study investigates the chemical composition, antioxidant, antibacterial, and hemolytic properties of ylang-ylang (Cananga odorata) essential oil, with a focus on its potential therapeutic applications for dermatological diseases and the importance of transforming such bioactive properties into a stable, safe, and effective formulation. Methods/Rsults: Essential oils were extracted from flowers harvested in northern Grande Comore using hydro distillation at three different distillation times to examine the impact on yield and quality. Gas chromatographic analysis identified a complex mixture of compounds, including linalool, geranyl acetate, and benzyl benzoate. Antioxidant activity was assessed using DPPH, FRAP, TAC, and beta-carotene bleaching inhibition assays, revealing significant radical scavenging capabilities, with DPPH IC50 varying between 1.57 and 3.5 mg/mL. Antibacterial activity was tested against Escherichia coli, Staphylococcus aureus, Bacillus subtilis, and Pseudomonas aeruginosa, showing promising inhibition zones and minimum inhibitory concentrations. Hemolytic tests indicated varying degrees of red blood cell damage, emphasizing the need for careful concentration management in therapeutic applications. Molecular docking studies highlighted potential therapeutic targets for dermatological conditions, identifying high binding affinities for specific compounds against proteins involved in acne, eczema, and psoriasis. Conclusions: This comprehensive analysis underscores the potential of ylang-ylang essential oil (YEOs) as a natural alternative for antimicrobial treatments and dermatological applications, with its success dependent on optimized extraction methods and precise formulation to reduce cytotoxic effects. A formulation approach is crucial to ensure controlled release, improve bioavailability, and minimize skin irritation.

Virgin Olive oil Authenticity Assays in a Single Run Using Two-Dimensional Liquid Chromatography-High Resolution Mass Spectrometry.

Sterols and triterpenic alcohol analyses are one of the officially established parameters for assessing the authenticity of virgin olive oil (VOO). Most of the applications described for sterol analysis, including the official method, only allow the determination of the total sterol content but not its distribution in free or esterified form. This work proposes a two-dimensional liquid chromatography/high-resolution mass spectrometry (2D-LC-HRMS) method for the simultaneous analysis of triterpenic alcohols, free sterols and steryl esters. A reversed phase liquid chromatography (RPLC)-RPLC coupling was performed through a multiple heart-cutting interface equipped with an active solvent modulation (ASM) valve. Additionally, a selection valve was coupled to the 2D-LC system, allowing the simultaneous data acquisition from both dimensions in a single analysis. A simplified sample treatment based on solid phase extraction was also proposed to avoid tedious steps such as saponification or derivatization before gas chromatography analysis. To evaluate the content of these compounds in different olive oil categories, the proposed 2D-LC-HRMS system was applied to a set of samples from different commercial olive oil categories (extra virgin olive oil, virgin olive oil, olive oil, pomace olive oil) and sunflower oil. The results revealed significant differences in the distribution of free and esterified sterols of the analyzed samples, highlighting the free/esterified sterol ratio as a powerful tool to unveil olive oil fraud practices and fat manipulation.

Phytochemical Profiling and Nutraceutical Benefits of Methanol Leaf Extracts from Datura alba ness

Introduction: Species of the Datura plant have demonstrated significant pharmacological benefits in combating various diseases over the past decade. However, little information is available on Datura alba ness (DAN), and no studies have yet reported its proximate composition or characterized its phytochemical components. This study aims to investigate the nutritional, phytochemical and bioactive properties of Datura alba ness. Materials and Methods: Fresh leaves of Datura alba ness were collected from Abua Odua local government area of Rivers State, Nigeria and properly identified and authenticated. The fresh leaves were subjected to proximate analysis using standard protocols while the dried leaves were extracted using methanol by the method of cold maceration to obtain methanolic extract of Datura alba ness (MEDAN). The MEDAN was further subjected to phytochemical screening to obtain the various phytochemicals and Gas chromatography and mass spectrometry (GC-MS) analysis for detailed identification and characterization of the various bioactive compounds. Results: Proximate analysis of fresh leaves of DAN showed the presence of moisture (60.4%), crude protein (21.9%), carbohydrate (7.6%), crude fibre (4.77%), ash (4.17%) and fat (1.19%) while the phytochemical screening revealed the presence of flavonoids (49.14%), alkaloids (19.16%), tannins 1(12.19%), saponins (11.72%), phenols (5.33%), cardiac glycosides (1.91%), oxalates (0.43%) and phytates (0.43%). Also, the GC-MS analysis of MEDAN identified twenty-nine (29) active compounds with four (4) observed as the most abundant (with area concentration &gt;10%). They include Bis (2-ethylhexyl) phthalate (15.97%), 13-hexyloxacyclotridec-10-en-2-one (14.26%), n-hexadecanoic acid (12.87%) and Gamma.-Sitosterol (10.77). Conclusion: The identification of various nutrients, compounds, and bioactive substances through proximate, phytochemical, and GC-MS analysis of fresh leaves and methanol extract of Datura alba ness highlights its potential as a supplement and therapeutic agent. These findings suggest that Datura alba ness contains numerous bioactive compounds that may offer effective treatments for conditions related to oxidative stress, nervous system disorders, tissue damage, inflammation, and bacterial infections.

Characterization and antibacterial application of peppermint essential oil nanoemulsions in broiler

In order to mitigate the risk of antibiotic resistance in poultry, scientists nowadays consider plant secondary metabolites to be a major organic antibacterial substitute. This study aimed to characterize and investigate the in silico, in vitro, and in vivo antibacterial effects of peppermint essential oil (PEO) in the form of a nanoemulsion (NE), termed PEONE. Menthol as a major compound of PEO has been identified by gas chromatography and mass spectroscopy (GCMS) analysis as 32.3 %, while lower droplet size, polydispersity Index (PDI), and optimum zeta potential values depicted the stability of PEONE have been observed and validated by transmission electron microscopy (TEM) micrograph image. In silico antibacterial activity was studied by molecular docking of menthol and enrofloxacin with Topoisomerase IV protein (PDB: 1s16;) of Escherichia coli K12 MG1655 and this effect was validated by in vitro and in vivo analysis. In vitro analysis, sustained release of PEONE has been observed against Escherichia coli and Staphylococcus aureus. In this study for in vivo experiments (n = 90) day-old broiler chicks were distributed into 6 dietary treatments with 5 replicates of 3 birds per replication. Dietary treatments included 1) Negative control (basal diet), 2) Positive control (basal diet + 200 µl enrofloxacin), 3) 25 µl PEONE + basal diet, 4) 50 µl PEONE + basal diet, 5) 75 µl PEONE + basal diet, and 6) 100 µl PEONE + basal diet. Analyzed data by different statistical tools confirmed that PEONE significantly affected body weight gain (BWG) with an improved feed conversion ratio (FCR) compared to the control group. A significant increase in cecal Lactobacillus count and a decrease in total coliform was observed. Positive effects on physiological parameters, visceral organs, and meat quality characteristics have been observed. In conclusion, our experiments suggest that PEONE can be used in the broiler industry as a substitute for antibiotics to minimize bacterial resistance.

Green dielectric exploration: spectrographic analysis and technical feasibility of vegetable oils in EDM via PIV, TOPSIS, and MOORA evaluation methods

Achieving a sustainable dielectric medium for Electrical Discharge Machining (EDM) has now drawn the attention of researchers and industries alike. Increased awareness among the Government and NGOs paved the way for the manufacturing industries to move towards a green environment and sustainability in the production process. To search for sustainable dielectric, 5 different types of oils viz., Jatropha, coconut, groundnut, sunflower, and EDM 4 oil (conventional oil) are experimented in this paper and revealed its suitability of potential replacement for the conventional dielectric. The properties such as viscosity, density, flash point, electrical conductivity, and BDV (Break down Voltage) are tested as per the standards. Since the number of output response is more than, Multi Attribute Decision Making (MADM) algorithms namely PIV, TOPSIS, and MOORA are used for the ranking and optimization. Entropy weight method is adopted to endow criteria weight to each of the MADM techniques. Jatropha oil has been ascertained to be rank 1 followed by groundnut, coconut, sunflower, and EDM 4 oil. Subsequently, the Gas Chromatography & Mass Spectrometry (GC–MS) analysis has revealed the quantitative constituents present in Jatropha as well as remaining oils. Furthermore GC–MS analysis reports that the retention time of Jatropha (43.042 min) is relatively longer than other oils except coconut oil, to release Ricinoleic acids. Groundnut and EDM 4 oils took relatively less retention time to release the alkanes. Machining performance was also conducted with the obtained dielectric and compared with conventional type oil (EDM 4 oil).