Gas Chromatography-mass Spectrometry Techniques Research Articles

Chemical composition and antioxidant activity of Tagetes filifolia Lag. essential oil from Peruvian Andes

The chemical composition of the essential oil from the aerial parts (leaves and flowers) of Tagetes filifolia Lag. grown in the Peruvian Andes was examined throughout the gas chromatography and gas chromatography-mass spectrometry techniques. Fifty-seven compounds were identified representing more than 99% of the essential oil. Phenylpropanoids had the major percentage, including (E)-anethol (85.0%) and estragole (12.9%) as the most abundant compounds. A multivariate analysis was performed using hierarchical cluster analysis to examine the relationship between the studied sample and other T. filifolia specimens from 21 essential oil compositions reported in the literature. Agglomerative hierarchical cluster analysis reveals three groups: (E)-anethole/estragole, estragole/(E)-anethole and an outlier (Z)-anethole/estragole. In addition, antioxidant activity was evaluated using 1,1-diphenyl-2-picryl-hydrazyl and ferric reducing antioxidant power assays. The essential oil had a moderate scavenging effect and ferric reducing capacity.

Exploring somatic embryogenesis in Ajuga multiflora Bunge: Profiling lipophilic metabolites via HPLC, GC-FID, and GCMS– analysis

The present study aims to assess the effect of different concentrations of auxins and combinations of plant growth regulators (PGRs), specifically auxin and cytokinin, on somatic embryogenesis in Ajuga multiflora. We also aim to compare the lipophilic metabolite profiles, such as carotenoids (CAs), fatty acids (FAs), phytosterols (PSs), and tocopherols (TPs), in globular somatic embryos (SEs), germinated SEs, and shoots of SEs derived plantlets. This assessment is carried out utilizing high performance liquid chromatography, gas chromatography-flame-ionization detection, and gas chromatography–mass spectrometry techniques. The results reveal that the application of 2,4-dichlorophenoxyacetic acid (2,4-D) had the most significant impact on somatic embryogenesis, inducing both SE initiation (34.4%) and the number of SEs (3.5) per explant. Among the explants used, leaf explants were found to be the most effective for SE induction (SEI). Additionally, the study explores the combined effect of 2,4-D and cytokinins (N6-benzyladenine, N6-BA, or 1-phenyl-3-(1,2,3-thiadiazol-5-yl) urea, TDZ) on somatic embryogenesis, highlighting optimal conditions for SEI percentages and the number of SEs per explant. The maximum SE induction rate (100%) and the number of SEs (45.9) per leaf explant were obtained on an SEI medium with 30 µM of 2,4-D and 2.3 µM of TDZ. The maturation and conversion of SEs were also examined, emphasizing the role of GA3 in achieving the highest conversion percentage (94.0 ± 2.7 at 0.8 µM GA3). Furthermore, the study details the biochemical composition during various stages of somatic embryogenesis, including CAs, TPs, PSs, and FAs. Globular SEs displayed comparatively lower concentrations of CAs than their germinated counterparts and shoots from SE-derived plantlets, while the total PSs content remained relatively consistent across all stages. Conversely, fatty acids tended to accumulate more in globular SEs, with the exception of α-Linolenic acid. These findings provide valuable insights into the optimization of somatic embryogenesis protocols in A. multiflora, with implications for plant tissue culture, regeneration and lipophilic metabolites production.

Valorization of the Sabinas Forest Waste (Juniperus phoenicea and Juniperus thurifera) as Source of Biopesticides

Objectives: The potential forestry use of Juniperus phoenicea and Juniperus thurifera pruning woods is studied by analyzing the composition of the woods and testing the biological activities of the corresponding components with the ultimate target of finding new biopesticides. Methods: The air-dried wood from each plant was crushed and subjected to hydrodistillation, and the residue was extracted with a Soxhlet apparatus using different solvents. The corresponding extracts were fractionated, and their composition were studied by gas chromatography-mass spectrometry and nuclear magnetic resonance techniques. The ixodicidal and antifungal activities of the different samples obtained were evaluated. Results: The fraction oxygenated of the essential oil from both J. thurifera (cedrol >60%) and J. phoenicea shows a remarkable bioactivity as antitick with EC50 values of 3.4 μg/mg and 10 μg/mg, respectively. Cedrol and methyl hinokiate, present in the hexane extract J. thurifera, show a potent antifungal effect against Aspergillus niger with EC50 values of 45.99 and 52.23 μg/mL, respectively. Conclusions: Pruning woods from these species proved to be renewable and easily accessible sources of bioactive natural products such as cedrol, thujopsene, nootkatone, and totarol.

Chemical composition, antioxidant, antimicrobial, and wound healing effects of Trachyspermum roxburghianum (DC.) H. Wolff essential oil: An in vivo and in silico approach

Ethnopharmacological relevanceTrachyspermum roxburghianum (DC.) H. Wolff, commonly known as ‘Ajamoda,’ is a neglected Indian spice highly used in Ayurveda and folklore remedies as an antimicrobial for chronic wounds and discharges, along with many other disease conditions. Aim of the studyThe objective of the study was to explore chemical composition and to investigate the antioxidant, antimicrobial, analgesic, and wound healing activities of T. roxburghianum fruit essential oil from India. Materials and methodsThe phytochemical characterization of the oil was determined through standard qualitative procedures and the gas chromatography-mass spectrometry (GC-MS) technique. The in vitro antioxidant aptitude was assessed by scavenging DPPH and ABTS radicals. The antimicrobial potential of the oil was investigated using the disc diffusion method, followed by the determination of minimum inhibitory concentration against Gram-positive and Gram-negative bacterial and fungal strains. The analgesic potential was evaluated using thermal and chemically induced pain models in Swiss albino mice. Wound healing was assessed in vivo, including determining wound contraction rates, histopathology, and hydroxyproline estimation, using the excision wound model in Swiss albino mice. ResultsGC-MS analysis identified 55 compounds with major terpenoids, including thymol (13.8%), limonene (11.5%), and others. Substantial radical-scavenging activity was exhibited by T. roxburghianum fruit essential oil (TREO) (IC50 94.41 ± 2.00 μg/mL in DPPH assay and 91.28 ± 1.94 μg/mL in ABTS assay). Microorganisms were inhibited with low MIC (2 μL/mL for the inhibition of Staphylococcus aureus and Bacillus subtilis; 4 μL/mL against Salmonella typhi and 16 μL/mL against Candida albicans). In the cytotoxicity study, no cytotoxicity was observed on the Monkey Normal Kidney Cell line (Vero). Significant antinociceptive effects were observed (25.47 ± 1.10 % of inhibition at 100 mg/kg and 44.31 ± 1.69 % at 200 mg/kg). A remarkable rate of wound closure and epithelization, along with a marked increase in hydroxyproline content, were observed for the oil during wound healing in mice. ConclusionsThe results suggested that oil could be utilized as a potential source of wound healing therapeutics.

Identification and In-Silico Profiling of Phytoconstituents in Leaves of Punica grantum L.

Punica granatum L. also called Pomegranate, a valuable fruit belonging to Punicaceae family. Pomegranate is not only nutrious but has remarkable medicinal properties. This study aimed to identify the phytochemical constituents present in Pomegranate leaves utilizing Gas Chromatography-Mass Spectrometry (GC-MS) technique, and to assess their medicinal potential using the PASS online software. The results of the analysis revealed the presence of several important phytochemicals, like Neophytadiene,Phytol,1,2 Benzene Dicarboxylic acid known for their medicinal properties such as Saccharopepsin inhibitor, Retinol dehydrogenase inhibitor, anti-inflammatory, anti-pyretic and anti-cancer. From the screened potent compounds, notably Phytol showed good activity which can be further evaluated for in-vivo drug evaluation. This study contributes to the understanding of the phytochemical composition and medicinal potential of Pomegranate leaves, highlighting its significance as a valuable natural resource for pharmaceutical research and development.

Molecular fingerprint and anti-carcinogenic properties of Turkish immortelle (Helichrysum italicum) essential oil

Immortelle (Helichrysum italicum) essential oil is one of the most valuable essential oils with its commercial importance and favorable characteristic properties in various cosmetic products and food products. Current research performed a comprehensive characterization of Immortelle essential oil using powerful and robust analytical techniques. The relative volatile composition of the Immortelle essential oil from Turkey was determined by GC-MS (gas chromatography-mass spectrometry) technique. Thirty-eight volatile compounds were identified. Average total phenolic content and DPPH radical scavenging activities (IC50) were determined as 54.24 mg GAE/mL essential oil and 0.27 mg/ml, respectively. FTIR and Raman spectroscopy fingerprints were determined for chemical characterization. The thermal profile was obtained by DSC (differential scanning calorimetry) analysis. The Immortelle essential oil (12.5 μg/mL) inhibited the growth of Caco 2 adenocarcinoma cells at the ratio of 48% without any deterioration in healthy L929 fibroblast cells according to the cytotoxicity analyses.

Synergistic Effects of Co3O4-gC3N4-Coated ZnO Nanoparticles: A Novel Approach for Enhanced Photocatalytic Degradation of Ciprofloxacin and Hydrogen Evolution via Water Splitting.

This research evaluates the efficacy of catalysts based on Co3O4-gC3N4@ZnONPs in the degradation of ciprofloxacin (CFX) and the photocatalytic production of H2 through water splitting. The results show that CFX experiences prompt photodegradation, with rates reaching up to 99% within 60 min. Notably, the 5% (Co3O4-gC3N4)@ZnONPs emerged as the most potent catalyst. The recyclability studies of the catalyst revealed a minimal activity loss, approximately 6%, after 15 usage cycles. Using gas chromatography-mass spectrometry (GC-MS) techniques, the by-products of CFX photodegradation were identified, which enabled the determination of the potential degradation pathway and its resultant products. Comprehensive assessments involving photoluminescence, bandgap evaluations, and the study of scavenger reactions revealed a degradation mechanism driven primarily by superoxide radicals. Moreover, the catalysts demonstrated robust performance in H2 photocatalytic production, with some achieving outputs as high as 1407 µmol/hg in the visible spectrum (around 500 nm). Such findings underline the potential of these materials in environmental endeavors, targeting both water purification from organic pollutants and energy applications.

Chromatographic authentication of botanical origin: Herbaceous pollen profiling with HPLC, HPTLC and GC-MS analysis.

This study describes a robust chromatographic authentication methodology for herbaceous pollen, employing gas chromatography-mass spectrometry (GC-MS), high-performance liquid chromatography (HPLC) and high-performance thin liquid chromatography (HPTLC) protocols. The comprehensive profiling of organic compounds not only distinguishes between different botanical sources but also establishes a reliable framework for quality control and assessment of herbaceous pollen authenticity. Traces of quercetin were detectable using HPTLC in Chaenomeles japonica, and the composition of the mobile phase led to distinct phenolic acid tracks in the extracts of free phenolic compounds. In Lonicera nummulariifolia, prominent chlorogenic acid signal and traces of 3,4-dihydroxybenzoic acid were identified, along with the presence of vanillic, trans-ferulic, p-coumaric and p-hydroxybenzoic and sinapic as phenolic acid standards. The HPLC chromatogram identified six peaks representing bioactive phenolic compounds such as gallic acid measuring 5.89 ± 0.56 mg g-1 , hydroxybenzoic acid 2.39 ± 0.78 mg g-1 and caffeic acid 2.83 ± 0.11 mg g-1 . The combined use of GC-MS, HPTLC and HPLC techniques provides a powerful and reliable means of authenticating the botanical origin of herbaceous pollen, offering valuable insights for quality control and ensuring the accuracy of botanical source identification.

Design and test of novel scent enrichments to enhance breeding of zoo-housed lemurs

Background Zoos use environmental enrichments, including scents, which may have applications to improve breeding success for taxa, such as lemurs, which rely heavily on olfactory communication. We aimed to develop novel, biologically-relevant scent enrichments to trigger mating behaviours of zoo-housed lemur species, which are critically endangered in the wild and show a low success rate in captive breeding programmes. Methods We examined anogenital odour secretions, released by female gentle (Hapalemur alaotrensis) and ruffed (Varecia variegata) lemurs, using solid-phase microextraction and gas chromatography-mass spectrometry techniques. We identified the key compounds distinguishing the volatile chemical profile of female lemurs during the breeding season and used them to develop species-specific scent enrichments. We then tested the scent enrichments, made up of synthesized mixtures conveying information about female lemur fertility, on unsuccessful breeding pairs of lemurs hosted in European zoos. We evaluated the effects of the newly designed scent enrichments on their target species by combining behavioural observations with faecal endocrinology. Results We identified and reproduced fertility-specific signals associated with female scents. These scent mixtures triggered male sexual behaviours, including mating, during and after the enrichment condition. We also found effects on faecal testosterone levels, with increased levels after the enrichment condition albeit not statistically significant. Conclusions Our findings suggest that biologically-relevant scent enrichments may trigger natural species-specific behaviours, with potential implications for conservation breeding of zoo-based endangered lemur species, and highlight that combining more assessment methods may assist with evaluating the impact of environmental enrichments.

Phytochemical Characterization, Antimicrobial Activity, Pharmacokinetic, in silico Molecular Docking and Interaction Analysis of Ajwa (Phoenix dactylifera L.) Palm Date Seeds

Background: There is growing evidence that antibiotic resistance is increasing. As a result, the efficacy of these antibiotics is gradually declining. This poses a serious health risk in terms of treatment strategies. Therefore, the scientific community is continuously putting all efforts into looking for novel and green therapeutics to overcome the problem of antibiotic resistance. Objectives: The aim of this study is to investigate the chemical composition of the methanolic extracts obtained from Phoenix dactylifera seeds, known agricultural waste, to identify new bioactive compounds and to examine the antibacterial and antifungal potentials. Materials and Methods: Phytochemical profiling was performed by the gas chromatography-mass spectrometry (GC-MS) technique. For the antibacterial activity of the methanolic extract, 12 microorganisms were selected, including eight bacteria ( Escherichia coli ATCC 35218, Pseudomonas aeruginosa ATCC 27853, Enterobacter cloacae, Enterococcus faecium, Staphylococcus hominis, Staphylococcus aureus, Staphylococcus epidermidis, and Klebsiella pneumoniae ATCC 27736) and four Candida species (C. albicans ATCC 10231, C. tropicalis ATCC 1362, C. utilis ATCC 9255, and C. guilliermondii ATCC 6260). The antimicrobial activity of the plant extract was supported by in silico molecular docking analysis. Results: The obtained results from the GC-MS technique revealed the presence of 51 compounds, of which 6-octadecenoic acid (Z) was identified as the major component. The tested extract exhibited the highest zone of inhibition against S. aureus (growth inhibition zone 14.66 ± 0.57 mm). In addition, minimal inhibitory concentration (MIC) and minimal bactericidal concentration values obtained against S. aureus were 1.4 and 5.6 mg/mL, respectively. Regarding the antifungal assay, C. albicans was the most sensitive one to the extract among all the tested Candida strains (14.33 mm) (MIC: 1.4 mg/mL, minimal fungicidal concentration (MFC): 11.2 mg/mL). The binding free energies and root mean square deviation values obtained from the interaction of phytochemicals with two different target receptors (1JIJ and 2QZW for TyrRS from S. aureus and aspartic proteinase from C. albicans) were also determined. Ergost-5-en-3-ol, (3beta) established hydrogen, electrostatic, alkyl, and pi-alkyl interactions with five different amino acid residues (Asp40, Asp80, Pro53, His50, and Phe54) located at the TyrRS receptor of S. aureus. On the other hand, hexadecanoic acid and methyl ester established hydrogen, electrostatic, pi-sigma, and alkyl interactions with five different amino acid residues (Thr222, Asp86, Asp218, Tyr84, and Ile123) located at the aspartic proteinase receptor of C. albicans. These interactions contributed to the stability of the complex and, hence, to the biological activity of the P. dactylifera compounds. Conclusion: Our results highlighted that methanolic extract from date seeds can be a natural source of chemical compounds with promising antibacterial and antifungal activities, as demonstrated using both in vitro and in silico approaches.

A comparative investigation of bioactive compounds present in Datura stramonium L. leaves extract in various solvents (ethanol, aqua, and ether) using TLC, IR, and GC-MS analytical techniques

The present study is an experimental comparative investigation of the biomolecules present in ethanol, aqua and ether extract of Datura stramonium L. leaves. The purpose of the study is to monitor the phytochemical constituents in the plant leaves by thin layer chromatography (TLC), Gas Chromatography-Mass Spectrometry (GC-MS), and infrared spectroscopy analytical techniques. The Datura Stramonium L. leaves were collected, dried and was extracted with ethanol, water and ether at room temperature. A comparative investigation of bioactive compounds have been carried out using TLC, GC-MS, and IR Analytical techniques. Preliminary phytochemical analysis revealed the presence of protein, alkaloid, phenol and tannins, flavanoid, glycoside, sterols, saponin, resins, anthocyanin, and carboxylic acid. More number of bio active phytochemicals were identified, and the chromatograph showed peaks of individual compounds. The result of this study offers a platform for understanding the Phytochemical present in ethanol, aqua and ether extract of studied plant leaves and to identify them as herbal alternative for various diseases and it can be used as functional pharmaceutical when once it extracted and treated carefully.

Karakteristik fisik dan komposisi kimia minyak kayu putih (Melaleuca cajuputi) asal Maluku dan Nusa Tenggara Barat [Physical characteristics and chemical composition of eucalyptus oil (Melaleuca cajuputi) from Maluku and West Nusa Tenggara

Eucalyptus oil is an essential oil popular in Indonesia due to its ability to treat flatulence, induce a sense of warmth, and serve as an antibacterial, antiviral, antifungal, and aromatherapy agent. Melaleuca cajuputi is a species of eucalyptus plant that yields eucalyptus oil. This plant is commonly found in Central Maluku and West Nusa Tenggara. The distilling process of eucalyptus oil took four hours and involved using steam distillation. Several physical parameters, including cineole content, oil weight, specific gravity, optical rotation, and ethanol solubility, were utilized to evaluate the grade of the produced eucalyptus oil. The analysis of physical properties was conducted using SNI 06-3954-2006-compliant methodologies. The volatile compounds of eucalyptus oil were analyzed using the Gas Chromatography-Mass Spectrometry (GC-MS) technique. The test results indicated that the purity of eucalyptus oil from Maluku and NTB specifically met the requirements of SNI 06-3954-2006. GC-MS measurement revealed that eucalyptus oil from Maluku, with a yield of 1.42%, contained 26 chemical components, with 1.8-cineole comprising the highest percentage at 67.38%. In contrast, the yield of NTB eucalyptus oil was 1.84%, and it contained 21 volatile compounds of which the compound of 1.8 cineole made up 66.58% of the component composition

Study on determination of PAEs in water samples by using solid phase extraction combined with gas chromatography-mass spectrometry

Phthalic acid diesters (PAEs) are industrial chemicals used as plasticizers in a variety of commercial products. Due to wide usage, PAEs have been found in various environments and their human exposure risks have also attracted a lot of concerns. However, little information about the distributions of PAEs in the water samples collected from Vietnam was reported. In this study, the method for the determination of nine typical PAEs in water samples by using the solid phase extraction (SPE) combined with gas chromatography-mass spectrometry (GC-MS) technique was optimized. The method detection limits (MDLs) and method quantitation limits (MQLs) of PAEs in water samples were in ranges of 0.2–0.4 ng/L and (0.6-1.2) ng/L, respectively. The recoveries of surrogate compounds in blank and real samples ranged from (74.8 to 93.9) %, with RSD < 9.2 %. The calibration curve for all standards was linear over a concentration range of (1.0-1,000) ng/mL (with R2 ≥ 0.998). The total concentrations of PAEs measured in bottled water of six brands were ranged from 10.0 ng/L to 6,690 ng/L. Among the studied PAEs, di-(2-ethylhexyl) phthalate (DEHP) was found at the highest frequencies and concentrations. Overall, the distribution of PAEs in plastic bottled water is significantly lower than the permitted regulations (only with DEHP) in drinking water by the Ministry of Health of Vietnam in 2011. ® 2023 Journal of Science and Technology - NTTU

Discrimination and characterization of volatile organic compounds in Lonicerae Japonicae flos and Lonicerae flos using multivariate statistics combined with headspace gas chromatography-ion mobility spectrometry and headspace solid-phase microextraction gas chromatography-mass spectrometry techniques.

The volatile organic compounds (VOCs) of Lonicerae Japonicae flos (LJF) and Lonicera flos (LF) play a pivotal role in determining their sensory characteristics, medicinal properties, and subsequent impact on market pricing and consumer preferences. However, the differences and specificity of these VOCs remain obscure. Hence, it is crucial to conduct a comprehensive characterization of the VOCs in LJF and LF and pinpoint their potential differential VOCs. In this study, headspace gas chromatography-ion mobility spectrometry (HS-GC/IMS) and headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC/MS) were employed to comprehensively investigate the compositional characteristics and distinctions in VOCs between LJF and LF. Multivariate statistical analysis was used to identify candidate differential VOCs of LJF and LF samples. A total of 54 and 88 VOCs were identified using HS-GC/IMS and HS-SPME-GC/MS analysis, respectively. Primary VOCs detected in LJF include leaf alcohol, (E)-2-hexen-1-ol dimer, 2-octyn-1-ol, and (E)-3-hexen-1-ol. Key VOCs prevalent in LF encompass farnesol, heptanoic acid, octanoic acid, and valeric acid. Multivariate statistical analysis indicates that compounds such as phenethyl alcohol and leaf alcohol were selected as potential VOCs for distinguishing between LJF and LF. This research conducted a comprehensive analysis of the fundamental volatile components in both LJF and LF. It subsequently elucidated the distinctions and specificities within their respective VOC profiles. And this study enables differentiation between LJF and LF through the analysis of VOCs, offering valuable insights for enhancing the quality control of both LJF and LF.

Phytocompounds-based therapeutic approach: Investigating curcumin and green tea extracts on MCF-7 breast cancer cell line

BackgroundBreast cancer (BC) has transcended lung cancer as the most common cancer in the world. Due to the disease's aggressiveness, rapid growth, and heterogeneity, it is crucial to investigate different therapeutic approaches for treatment. According to the World Health Organization (WHO), Plant-based therapeutics continue to be utilized as safe/non-toxic complementary or alternative treatments for cancer, even in developed countries, regardless of how cutting-edge conventional therapies are. Despite their low bioavailability, curcumin (CUR) and green tea (GT) represent safer therapeutic options. Due to their potent molecular-modulating properties on various cancer-related molecules and signaling pathways, they are considered gold-standard therapeutic agents and have been incorporated into the development of one or more therapeutic strategies of BC treatment. MethodsWe investigated the modulatory role of CUR and GT extracts on significant multi molecular targets in MCF-7 BC cell line to assess their potential as BC multi-targeting agents. We analyzed the phytocompounds in GT leaves using High-performance liquid chromatography (HPLC) and Gas chromatography-mass spectrometry (GC-MS) techniques. The mRNA expression levels of Raf-1, Telomerase, Tumor necrosis factor alpha (TNF-α) and Interleukin-8 (IL-8) genes in MCF-7 cells were quantified using quantitative real-time PCR (qRT-PCR). The cytotoxicity of the extracts was assessed by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay and the released Lactate dehydrogenase (LDH), a valuable marker for identifying the programmed necrosis (necroptosis). Additionally, the concentrations of the necroptosis-related proinflammatory cytokines (TNF-α and IL-8) were measured using enzyme-linked immunosorbent assay (ELISA). ResultsIn contrast to the GT, the results showed the anticancer and cytotoxic properties of CUR against MCF-7 cells, with a relatively higher level of released LDH. The CUR extract downregulated the oncogenic Raf-1, suppressed the Telomerase and upregulated the TNF-α and IL-8 genes. Results from the ELISA showed a notable increase in IL-8 and TNF-α cytokines levels after CUR treatment, which culminated after 72 h. ConclusionsAmong both extracts, only CUR effectively modulated the understudy molecular targets, achieving multi-targeting anticancer activity against MCF-7 cells. Moreover, the applied dosage significantly increased levels of the proinflammatory cytokines, which represent a component of the cytokines-targeting-based therapeutic strategy. However, further investigations are recommended to validate this therapeutic approach.

Alkaloidal Extracts from Avicennia africana P. Beauv. (Avicenniaceae) Leaf: An Antiplasmodial, Antioxidant, and Erythrocyte Viable.

The emergence of drug-resistant parasites impedes disease management and eradication efforts. Hence, a reinvigorated attempt to search for potent lead compounds in the mangroves is imperative. This study evaluates in vitro antiplasmodial activity, antioxidant properties, and cytotoxicity of A. africana leaf alkaloidal extracts. The A. africana leaves were macerated with 70% ethanol to obtain a total crude extract. Dichloromethane and chloroform-isopropanol (3 : 1, v/v) were used to extract the crude alkaloids and quaternary alkaloids from the total crude. The antiplasmodial activities of the alkaloidal extracts were performed against 3D7 P. falciparum chloroquine-sensitive clone via the SYBR Green I fluorescence assay with artesunate serving as the reference drug. The alkaloidal extracts were further evaluated for antioxidant properties via the total antioxidant capacity (TAC), the total glutathione concentration (GSH), the DPPH (2,2-diphenyl-1-picrylhydrazyl) assay, and the ferric-reducing antioxidant power (FRAP) methods. The cytotoxic activity of the alkaloidal extracts was tested on erythrocytes using a 3-(4,5-dimethylthiazol-2-yl)-5-diphenyltetrazolium bromide-MTT assay with little modification. The phytocompounds in the alkaloidal extracts were identified via gas chromatography-mass spectrometry (GC-MS) techniques. The total crude extract showed good antiplasmodial activity (IC50 = 11.890 µg/mL). The crude and quaternary alkaloidal extracts demonstrated promising antiplasmodial effects with IC50 values of 6.217 and 6.285 µg/mL, respectively. The total crude and alkaloidal extracts showed good antioxidant properties with negligible cytotoxicity on erythrocytes with good selectivity indices. The GC-MS spectral analysis of crude alkaloidal extracts gave indole and isoquinoline alkaloids and several other compounds. Dexrazoxane was found to be the main compound predicted, with an 86% peak area in the quaternary alkaloidal extract. The crude and quaternary alkaloidal extracts exhibited antiplasmodial activities and ability to inhibit oxidative stress with negligible toxicity on erythrocytes. This may be good characteristics to avoid oxidative stress related to Plasmodium infection in the treatment of malaria.

Quality evaluation of four Ferula plants and identification of their key volatiles based on non-targeted metabolomics.

Ferula is a traditional, edible, and important medicinal plant with high economic value. The distinction between edible and non-edible Ferula remains unclear. In this study, headspace solid-phase microextraction coupled to gas chromatography-mass spectrometry (HS-SPME/GC-MS) and ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) non-targeted metabolomics techniques were used to systematically and comprehensively analyse secondary metabolites in the leaves and roots of four species of Ferula, considering their edibility. A total of 166 leaf volatile organic compounds (VOCs) and 1,079 root metabolites were identified. Additionally, 42 potential VOCs and 62 differential root metabolites were screened to distinguish between edible and non-edible Ferula. Twelve volatile metabolites were specific to F. feurlaeoides, and eight compounds were specific to the three edible Ferula species. The results showed that compounds containing sulphur, aldehydes, and ketones, which produce pungent odours, were the primary sources of the strong odour of Ferula. The root differential metabolites include 13 categories, among which the high concentration group is organic acids, amino acids, terpenoids and fatty acids. The bioactive metabolites and VOCs in the roots exhibited species-specific characteristics. VOCs with various odors were linked to the distribution of root metabolites in both edible and non-edible Ferula plants. The screened root markers may contribute to the formation of characteristic VOCs. This study identified the difference in flavour between edible and non-edible Ferula plants and, for the first time, demonstrated the contribution of the efficacy of Ferula root to the unique flavour of the above-ground parts of Ferula. These results provide a theoretical basis for selecting Ferula for consumption and help evaluate the quality of different species of Ferula. Our findings may facilitate food processing and the further development of Ferula.

Photodegradation of Ghana Crude Oil by Sunlight Irradiation

Photochemical degradation of crude oil in seawater is critical in the protection of the marine environment during oil spillages. In this study, the photochemical weathering of Ghana Crude Oil (GCO) was investigated, by irradiation with natural sunlight. The analytical techniques of Gas chromatography-Mass Spectrometry (GC-MS) and Fourier Transform Infrared Spectroscopy (FTIR) were applied in the identification of aromatic and aliphatic components after 10 weeks of irradiation. The aliphatic components exhibited low susceptibility for photo-chemical degradation, while the aromatic components were mainly affected by photo-oxidation. The results showed a decrease in the number of aromatic and aliphatic compounds detected by 39% and 35% respectively. These results confirm photo-oxidation by natural sunlight as an effective remediation process for GCO, especially under high solar radiation environmental conditions.

Rhizome essential oil of Curcuma zedoaroides Chaveer. & Tanee: chemical composition, cytotoxic activities, and molecular docking approach

Curcuma zedoaroides Chaveer. & Tanee (Vietnamese name: Nghệ đắng) belongs to the Zingiberaceae family which is the new Curcuma species discovered in Thailand and Vietnam in recent years. This study aimed to determine the chemical compositions and the cytotoxic activities of C. zedoaroides rhizome essential oil for the first time. The essential oil was obtained from the rhizomes through hydro-distillation and analyzed by gas chromatography-mass spectrometry (GC-MS) technique. Results showed that the majority of the rhizome essential oil of C. zedoaroides was dominated by oxygenated sesquiterpenes (61.54%) mainly curdione (27.45%), followed by widdrol (8.03%) and trans-β-elemenone (5.47%). Notably, the essential oil of C. zedoaroides rhizomes exhibited cytotoxic activities using the MTT assay with the IC50 (half-maximal effective concentration) values of 75.16 ± 2.79, 77.08 ± 1.98, 81.35 ± 1.55, 83.67 ± 2.26, 32.74 ± 1.95, 23.14 ± 1.43, 73.35 ± 2.20 μg/mL against A549, MCF-7, HepG2, HT29, HL-60, K562 and MDA-MB-231 cells, respectively. In addition, three major compounds targeting specific proteins related to essential oil’s anti-cancer activity were assessed using molecular docking simulation. From the results observed, widdrol was suggested to have the highest binding affinity for both EGFR and HER2, with ΔG values of -6.246 kcal/mol and -6.916 kcal/ mol, respectively. These results suggest the potential of the rhizome essential oil of C. zedoaroides to provide leads for the development of anti-cancer agents as well as considered a valuable source of bioactive components.

Chemical Profiling, Antibacterial Efficacy, and Synergistic Actions of Ptychotis verticillata Duby Essential Oil in Combination with Conventional Antibiotics

Introduction: The primary aim of the current investigation is to assess the chemical composition and antibacterial efficacy of Ptychotis verticillata essential oil (PVEO) against three Gram-positive bacteria ( Staphylococcus aureus, Micrococcus luteus, and Bacillus subtilis) and three Gram-negative bacteria ( Escherichia coli, Pseudomonas aeruginosa, and Klebsiella pneumoniae). Furthermore, this research endeavors to investigate the potential synergistic effects of PVEO when combined with established antibiotics (Amoxicillin, Erythromycin, and Ampicillin), with a focus on discerning their interaction dynamics. Methods: The phytochemical profiling of PVEO was performed via the Gas Chromatography-Mass Spectrometry technique. The broth dilution test determined the interaction effect between PVEO and these three antibiotics. Results: Components γ-terpinene (38.96%), p-cymene (19.38%), thymol (18.07%), and carvacrol (6.99%) are the major bioactive moleculs composing this studied essential oil. PVEO demonstrated significant antibacterial activity with minimum inhibitory concentration (MIC) values ranging from 0.2 against E coli to 2 mg/mL against M luteus. The assessment of the synergistic activity between PVEO and antibiotics was accomplished through the utilization of the Fractional Inhibitory Concentration Index (FICI). The combination of PVEO and amoxicillin against M luteus demonstrated the best synergistic action with a FICI value of 0.43. Conclusion: Significant reductions, ranging from two to sevenfold, in the MIC values of PVEO, and antibiotics were observed. This noteworthy synergistic interaction between highly potent essential oils and synthetic antibiotics holds the potential to open avenues for novel combination therapies aimed at addressing infections caused by multiresistant microorganisms, even at notably reduced concentrations within the pharmaceutical sector.