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In the present work, wastewater treatment plants and collection systems from Nagpur, Central India were studied for frequently occurring endocrine disrupting chemicals. All the EDCs, such as bisphenol A, butylparaben, and diethyl phthalate were present in all the collected samples with a detection frequency of 100%. Laboratory analysis revealed high bisphenol A, butylparaben, and diethyl phthalate levels, with mean concentrations of 79.10, 4.12, and 2.25 μg/L, respectively, in influent samples and 33.20, 1.62, and 0.77 μg/L, respectively, in the effluent wastewater. The distribution of the emergent pollutants among the sampling locations was found to be consistent with the physicochemical characteristics of wastewater, according to the component analysis, and the sites with the highest levels of contamination were also identified. Finally, an ecological risk assessment was carried out for aquatic biota in terms of risk quotients. The risk quotients for the target chemicals in effluent wastewater suggested a minimal impact, except for the target insect Chrironomus riparius, which had a risk quotient value of 33.20 for bisphenol A. [ABSTRACT FROM AUTHOR]

Rice metabolomics is widely used for biomarker research in the fields of pharmacology. As a consequence, characterization of the variations of the pigmented and non-pigmented traditional rice varieties of Tamil Nadu is crucial. These varieties possess fatty acids, sugars, terpenoids, plant sterols, phenols, carotenoids and other compounds that plays a major role in achieving sustainable development goal 2 (SDG 2). Gas-chromatography coupled with mass spectrometry was used to profile complete untargeted metabolomics of Kullkar (red colour) and Milagu Samba (white colour) for the first time and a total of 168 metabolites were identified. The metabolite profiles were subjected to data mining processes, including principal component analysis (PCA), Orthogonal Partial Least Square Discrimination Analysis (OPLS-DA) and Heat map analysis. OPLS-DA identified 144 differential metabolites between the 2 rice groups, variable importance in projection (VIP) ≥ 1 and fold change (FC) ≥ 2 or FC ≤ 0.5. Volcano plot (64 down regulated, 80 up regulated) was used to illustrate the differential metabolites. OPLS-DA predictive model showed good fit (R2X = 0.687) and predictability (Q2 = 0.977). The pathway enrichment analysis revealed the presence of three distinct pathways that were enriched. These findings serve as a foundation for further investigation into the function and nutritional significance of both pigmented and non-pigmented rice grains thereby can achieve the SDG 2. [ABSTRACT FROM AUTHOR]

Polycystic ovary syndrome (PCOS) is the most common gynaecological disorder among reproductive-age women. Impaired metabolism of androgens and estrogens is one of the leading causes of PCOS. In India, medicinal herbs are being explored for their anti-androgenic and anti-estrogenic properties. In this study, we have screened the seed extracts of the herbal plant, Caesalpinia bonducella for potent inhibitors of estrogen and testosterone biosynthesis and assimilation. Methanol extract of C. bonducella seed kernels were subjected to gas chromatography - mass spectrometry (GC-MS) to identify the phytochemical constituents. Out of forty-three phytochemical compounds identified from the extract, eight compounds were selected based on Lipinski's rule of five for molecular docking. The selected phytochemical compounds were docked against specific targets of ovarian steroidogenesis pathway; human aromatase (CYP19A1), human 17β-hydroxysteroid dehydrogenase type 1 (HSD17B1), human androgen receptor and estrogen receptor α. Further, the nature of these compounds was validated using density functional theory (DFT) calculations and ADME/T studies. As per the molecular docking output, compounds 33, 35, 38, 40, and 43 exhibited higher binding affinities against the four selected targets. Phytochemical compounds were optimized using Gaussian 16 with the B3LYP function and the 6-31G(d, p) basis set and were correlated with docking results. ADME/T helps in identifying the potential drug candidates from a pool of drugs. Five phytochemical compounds, 33, 35, 38, 40, and 43 were found to have the ability to bind and inhibit appropriate targets in the ovarian steroidogenesis pathway. Hence, these compounds can be further characterized in vitro and in vivo for alleviating PCOS. [ABSTRACT FROM AUTHOR]

Background: Ixora coccinea Linn., belonging to Rubiaceae family, often known as red Ixora and jungle of geranium, is an evergreen shrub that may be found throughout India. The Indian Traditional Medical System, Ayurveda, as well as numerous folk medicines, use the flowers, leaves, roots, and stems to cure various ailments. Aims and Objectives: The present study sheds some light on the anti-inflammatory, antioxidant, and antimicrobial activities of different plant extracts of Ixora javanica (IJ) and on analyzing its major bioactive component by Gas chromatography–mass spectrometry (GC-MS). Materials and Methods: Cold maceration was performed for the extraction of dried flowers of IJ with the escalating polarity of the solvents (Petroleum ether, chloroform, ethyl acetate, and methanol), and different extracts were screened for antioxidant, anti-inflammatory, and antimicrobial activities. Results: The ethyl acetate and methanolic extracts showed significant antioxidant activity at a concentration of 400 μg/ml. The ethyl acetate and methanolic extracts of IJ showed similar anti-inflammatory activity at a dosage of 500 mg/kg body weight in rats compared to the standard drug indomethacin. The antimicrobial activity was also found against Escherichia coli at the concentration of 500 μg/ml. Further analysis of these two extracts by GC-MS, Methyl palmitate was identified as a major bioactive component responsible for anti-inflammatory activity. Moreover, the different extracts of IJ also showed antioxidant activity due to the presence of Vitamin E, and tocopherol. Conclusion: Overall, it was found that IJ extracts in methanol and ethyl acetate were effective at imparting the aforementioned pharmacological effects. [ABSTRACT FROM AUTHOR]

A liquid–liquid extraction (LLE) method was validated as per SANTE/12682/2019 guidelines for gas chromatography–mass spectrometric (GC–MS) determination of thirty-six multiclass pesticides in environmental waters. Seasonal (summer, monsoon, and winter) effects on the magnitude of pesticide residues in environmental water (river, pond, and tube well) of six different urban areas of Nadia and North 24 Parganas districts (New alluvial zone, Eastern India) was monitored for subsequent risk assessment. Total 288 water samples (96 each of river, pond, and tube-well) irrespective of locations and seasons were monitored for multiclass multi pesticide residues during the experiment. Each sample (750 mL) was extracted with ethyl acetate/dichloromethane (8:2) liquid–liquid partitioning and filtration (0.22 μm nylon filter paper) and total residue was reconstituted in acetone (1 mL) for GC–MS analysis with developed and validated method resulting satisfactory recovery percentages (77.84–118.15%). The maximum no. of organochlorine (OC) and organophosphorus (OP) pesticide residues were dominated in river and pond water irrespective of seasons and monitoring sites. About 74% of river water samples were found to be contaminated with concerned pesticides in variable magnitudes. Monsoon (July to October) season was highly alarming with the highest presence of total pesticide residues in different types of environmental waters. Risk quotient (RQ) [acute and chronic] was also evaluated in pond and river water as sometimes used for drinking purposes. RQ value (5900) of total endosulfan indicates the highest risk of chronic toxicity to river fishes. Seven water samples from tube-wells were also monitored and found to be contaminated with butachlor and chlorpyriphos in non-significant amounts (< 0.1 ng mL−1), irrespective of seasons and sites, thus safe for consumption. [ABSTRACT FROM AUTHOR]

North-eastern states of India, including Assam, have a high prevalence of head and neck cancer cases. In these regions, Sadagura is a unique form of smokeless tobacco (SLT). There are fewer reports regarding the effects of simultaneous sadagura and arsenic co-exposure. Analysis of chemical compounds present in sadagura aqueous extract was done using gas chromatography–mass spectrometry. Estimation of arsenic contamination in groundwater and bioaccumulation in human tissues was performed by using atomic absorption spectroscopy. Buccal micronucleus cytome (BMCyt) assay and analysis of various peripheral blood parameters were performed among study volunteers. Chronic exposure (90 days) experiments were performed in mice test system in vivo to determine any possible protective potential of vitamin C (Vit-C) supplementation against sadagura and arsenic co-exposure. BMCyt assay results revealed a higher incidence of micronucleated cells (p < 0.001), and cell death biomarker among sadagura consumers residing in arsenic affected areas. Comet assay of mice femur bone marrow cells following chronic exposure of the test substances revealed a reduction in DNA damage due to Vit-C supplementation. Histological examination of the hepatic and renal tissues revealed marked improvement due to Vit-C supplementation in mice against sadagura and arsenic chronic co-exposure. Indiscriminate consumption, presence of various harmful compounds in sadagura along with arsenic co-exposure might be a vital link for the higher incidence of oral cancer in the region. Chronic Vit-C supplementation study results in mice show its effective remedial potential against combined sadagura and arsenic co-mediated genotoxicity and ultrastructural changes in major organs. [ABSTRACT FROM AUTHOR]

This study deals with the quantitative assessment of nutritionally important fatty acids (FAs) in 94 indigenous rice (Oryza sativa ssp. indica) landraces of India which are critically endangered, being cultivated only by a handful of marginal farmers. Three modern high-yielding varieties and one local high-yielding farmers' variety were analysed for comparative assessment. Qualitative and quantitative analyses of FAs based on gas chromatography-mass spectrometric analysis of these varieties revealed their significant contribution to daily diet. Two 'case studies' were considered on the basis of individual FAs and nutritionally correlated FA parameters of the rice cultivars to isolate the most promising landraces, by clustering through linear discriminant function. These folk rice landraces may add important precursors to essential FAs in the staple diet and can provide for FA requirement in normal brain development in infants. We suggest incorporation of these landraces into India's food and agriculture policy, both for conserving the vanishing landraces and for ensuring nutritional security of the economically marginalized people. [ABSTRACT FROM AUTHOR]

This study will evaluate the feasibility of treating diesel contaminated soil excavated from a metro rail construction site in Chennai, Tamil Nadu, India. Total petroleum hydrocarbon (TPH) concentration present in the soil varies in the range of 12,900-13,550 mg/kg, which is higher than the permissible limits. The combined chemical oxidation and microwave (MW) heating techniques will be evaluated for the decontamination of the soil. The effects of different parameters, such as dosage of oxidizing agents, MW power, and treatment time on the removal of TPH will be optimized. Under optimized conditions of 450 W power and 60 min, a combination of MW and hydrogen peroxide [H2O2 (2.5 wt%)] showed an improvement in TPH degradation efficiencies by 23.82%, 17.36%, and 20.89% for three different soils compared with MW heating alone. The soil samples will be analyzed using gas chromatography-mass spectroscopy (GS-MS) for fingerprinting and to assess the reduction (%) in C11 to C25 hydrocarbon levels. The results from this study could be used to design and scale-up the technology for remediation of the contaminated site. [ABSTRACT FROM AUTHOR]

Adyar and Cooum, the two rivers intersecting Chennai city, are exposed to serious pollution due to the release of large quantities of dumped waste, untreated wastewater and sewage. Sediments can act as repository for emerging organic contaminants. Hence, we have monitored the occurrence and risk associated with plasticizers [six phthalic acid esters (PAEs), bis(2-ethyl hexyl adipate) (DEHA)] and bisphenol A (BPA) in surface riverine sediments of Adyar and Cooum rivers from residential/commercial, industrial and electronic waste recycling sites. Σ7plasticizers (PAEs + DEHA) in the Adyar riverine sediment (ARS) and Cooum riverine sediment (CRS) varied between 51.82–1796 and 28.13–856 ng/g, respectively. More than three-fourth of Σ7plasticizers came from bis(2-ethylhexyl) phthalate (DEHP), in accordance with the high production and usage of this compound. BPA varied between 10.70–2026 and 7.58–1398 ng/g in ARS and CRS, respectively. Average concentrations of plasticizers and BPA were four times higher in electronic waste (e-waste) recycling sites when compared with industrial and residential/commercial sites. BPA and DEHP showed a strong and significant correlation (R2 = 0.7; p < 0.01) in the e-waste sites thereby indicating common source types. Sites present at close proximity to raw sewage pumping stations contributed to 70% of the total BPA observed in this study. For the derived pore water concentration of plasticizers and BPA, the ecotoxicological risk has been found to be higher in ARS over CRS. However, sediment concentrations in all the sites of ARS and CRS were much below the recommended serious risk concentration for human (SRChuman) and serious risk concentration for ecotoxicological (SRCeco). [ABSTRACT FROM AUTHOR]

Infectious diseases such as malaria, dengue, and yellow fever are predominantly transmitted by insect vectors like Anopheles stephensi, Aedes aegypti , and Culex quinquefasciatus in tropical regions like India and Africa. In this study, we assessed the larvicidal activity of commonly found seaweeds, including Padina gymnospora, P. pavonica, Gracilaria crassa, Amphiroa fragilissima , and Spatoglossum marginatum , against these mosquito vectors. Our findings indicate that extracts from P. gymnospora Ethyl Acetate (PgEA), P. pavonica Hexane (PpH), and A. fragilissima Ethyl Acetate (AfEA) displayed the highest larval mortality rates for A. stephensi , with LC50 values of 10.51, 12.43, and 6.43 μg/mL, respectively. Additionally, the PgEA extract from P. gymnospora exhibited the highest mortality rate for A. aegypti , with an LC50 of 27.0 μg/mL, while the PgH extract from the same seaweed showed the highest mortality rate for C. quinquefasciatus , with an LC50 of 9.26 μg/mL. Phytochemical analysis of the seaweed extracts revealed the presence of 71 compounds in the solvent extracts. Fourier-transform infrared spectra of the selected seaweeds indicated the presence of functional groups such as alkanes, alcohols, and phenols. Gas chromatography–mass spectrometry analysis of the seaweeds identified major compounds, including hexadecanoic acid in PgEA, tetradecene (e)- in PpEA, octadecanoic acid in GcEA, and 7-hexadecene, (z)-, and trans-7-pentadecene in SmEA. [Display omitted] • Mosquito vectors are the primary carriers responsible for various tropical diseases and have developed resistance to currently available pesticides. • Ethyl acetate-extracts from five different seaweeds demonstrated remarkable larvicidal effectiveness, particularly against Anopheles stephensi, Aedes aegypti, and Culex quinquefasciatus. • These extracts contain essential compounds, including Hexadecanoic acid, Tetradecene (E), Octadecanoic acid, 7-Hexadecene (Z), and Trans-7-Pentadecene. Simple Summary: The mosquito vectors are the main cause of various tropical diseases and show resistance to the available pesticides. Therefore, efforts are being made globally to isolate seaweed compounds towards eco-friendly pesticide formulations. The present investigation on the toxicity potential of the ethyl acetate-extracts of the 5-seaweeds showed the highest larvicidal effect (on the Anopheles stephensi , Aedes aegypti , and Culex quinquefasciatus). In addition, the extracts possessed the essential compounds of Hexadecanoic acid, Tetradecene, (E), Octadecanoic acid, 7-Hexadecene, (Z), and Trans-7-Pentadecene. [ABSTRACT FROM AUTHOR]

In the current era, wild macrofungi are being focused for developing and overing novel bioactive compounds for the management of agricultural, horticultural, and other infectious diseases. In that view, current research work was designed to evaluate the biochemical composition and medicinal properties of Morchella crassipes mushroom. The mycochemical screening of aqueous extract exposed the incidence of glycosides, free amino acids and proteins, alkaloids, carbs, flavonoids, terpenoids, phenolic compounds and tannins, except volatile oils, resins, steroids, and anthraquinones. However, hexane extract exhibited the occurrence of glycosides, alkaloids, volatile oils, steroids and terpenoids while as all other phytochemicals were not detected. The gas chromatography mass spectrometry profiling has disclosed the identification of three predominant naturally occurring bioactive volatile monoterpenoids, namely neral, citral, and epoxy-linalool oxide with well-known biological activities. The methanolic extract resulted in strong antifungal efficacy against the tested fungal strains such as Penicillium chrysogenum (20.33 ± 0.57 mm) followed by Pythium ultimum (15.33 ± 0.76 mm) and Aspergillus niger (12.50 ± 0.50 mm) at highest concentrations. Likewise, marked antibacterial effects were reported in case of Staphylococcus aureus (15.16 ± 0.76 mm), followed by Salmonella gallinarum (14.33 ± 0.57 mm) and Escherichia coli (13.66 ± 0.57 mm), respectively. This data may offer baseline information regarding the bioactive metabolites and opening new ways for conducting trails to find natural management strategies to combat multi drug resistant pathogens in horticulture, agriculture, and aquaculture.

Background:Easy availability, relatively low cost with fewer side effects, has made the herbal extracts/fractions/pure compounds as prominent source of medicinally important molecules. Dioscorea villosa L. commonly known as wild yam belongs to the family Dioscoreaceae and has been used in various parts of India to treat joint pain, arthritis, and various other diseases. However, its role in wound healing has not been documented so far. In the current study, the in vitro wound healing capabilities of D. villosa were examined using L929 cells. Materials and Methods:Methanolic extraction of D. villosa leaves was prepared by applying inexpensive maceration method. 3-(4, 5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay was used to analyze the cytotoxicity of D. villosa extract and in vitro wound healing capabilities were investigated by applying scratch assay. The qualitative measurement of different secondary metabolites was determined by standard biochemical assays. Gas chromatography-mass spectrometry (GC-MS) was performed to identify the possible wound healing components present in the methanolic leaf extract of D. villosa, and the antioxidant properties of the plant extract were evaluated by α,α-diphenyl-β-picrylhydrazyl and ferric reducing antioxidant power assays. Furthermore, the possible molecular factors involved in the proliferation and migration of fibroblast in the presence of D. villosa extract was determined by flow cytometry technique. Results:The experiments to analyze the cytotoxic effect of D. villosa on L929 cells revealed that at the highest concentration used, i.e., 500 μg/mL after 48 h of incubation, 96.06% ± 0.42% of the cells were viable. The results of the scratch assay revealed that 125 μg/mL of plant extract induced the migration in 88.58% of fibroblast cells. Through GC-MS analysis, antioxidant and anti-inflammatory molecules such as 1 H-Indole-2,3-dione (Isatin) and Dexamethasone have been identified. In addition, flow cytometry data showed the influence of plant extract on the expression of Collagen-1 and transforming growth factor (TGF)-beta, which play a major role in the wound healing processes. 125 μg/mL of plant extract induced Collagen-1 in 22.18% cells and TGF-beta in 80.77% of cells, respectively. Conclusion:The presence of potent antioxidant and anti-inflammatory molecules and capability to induce the expression of fundamental wound healing molecular factors TGF-beta and collagen-1 in fibroblast cells, endorsed D. villosa as a potential wound healing agent. Abbreviations used:DA: Dioscorea villosa; LDH: Lactate dehydrogenase; ECM: Extra Cellular matrix; DMSO: Dimethyl sulfoxide; DMEM: Dulbecco's Modified Eagle's Medium; FBS: Fetal bovine serum; FITC: Fluorescein isothiocyanate. D-PBS: Dulbecco's phosphate-buffered saline; FACS: Fluorescent activated cell sorter; MTT: 3-(4, 5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide; μg: Micrograms; ng: Nanogram; mL: milliliter; SD: Standard Deviation; hEGF: Human epidermal growth factor. [ABSTRACT FROM AUTHOR]

The Hooghly River (HR) estuary is the first deltaic off-shoot of the perennial and transboundary river, Ganga, India. HR receives industrial and domestic waste along with storm-water run-off from Kolkata city and the adjoining districts. Organic micropollutants (OMPs) have been collectively termed for plasticizers, pharmaceuticals and personal care products, which are extensively consumed and disposed in the waste streams. Hence emerging OMPs were investigated to obtain the first baseline data from the Hooghly riverine sediment (HRS) along urban and suburban transects using gas chromatography mass spectrometry (GC-MS). The concentration range of OMPs in the HRS varied between 3 and 519 ng/g for carbamazepine, 5–407 ng/g for non-steroidal anti-inflammatory drugs (NSAIDs), 2–26 ng/g for musk ketone, 2–84 ng/g for triclosan, 2–199 ng/g for bisphenol A (BPA), 2–422 ng/g for plasticizers (phthalic acid esters (PAEs) and bis (2-ethylhexyl) adipate (DEHA)) and 87–593 ng/g for parabens. Carbamazepine concentration in sediment was an useful marker for untreated wastewater in urban waterways. High concentrations of BPA and PAEs in the suburban industrial corridor together with significant correlation between these two type of OMPs (r2 = 0.5; p < 0.01) likely reflect a common source, possibly associated with the plastic and electronic scrap recycling industries. Among all the categories of OMPs, plasticizers seems to exhibit maximum screening level ecological risk through out the study area. Image 1 • Carbamazepine can act as a possible marker for untreated wastewater. • Industrial sludge and burning of dumped plastic waste are potential sources of plasticizers. • Direct domestic discharge outlets might be a possible source for preservatives. Surveillance of microorganic pollutants in the Hooghly riverine sediment. [ABSTRACT FROM AUTHOR]

This study evaluates the non-cancer risks (NCR) and cancer risks (CR) in outdoor working personnel in Dhanbad city, exposed to volatile organic compounds (VOCs) and particulate matter (PM) present in the ambient air. Dhanbad is known for its coal mines and is one of the most polluted cities in India and the world. Sampling was conducted in different functional zones; namely, traffic intersections, industrial, and institutional areas, to estimate the concentration of different PM-bound heavy metals and VOCs in the ambient air using Inductively coupled plasma-optical emission spectrometry (ICP-OES) and gas chromatography (GC) respectively. Our results show that the concentration levels (of VOCs and PM) and health risks were maximum at the traffic intersection area, followed by the industrial and institutional areas. The major contribution to CR came from chloroform, naphthalene, and PM-bound chromium, while the contribution to NCR mainly came from naphthalene, trichloroethylene, xylenes, and PM-bound chromium, nickel, and cadmium. It was observed that CR and NCR from VOCs are quite comparable (average CR voc 8.92E-05 and NCR voc 6.82) to that from the PM-bound heavy metals (average CR PM 9.93E-05 and NCR PM 3.52). According to the sensitivity analysis performed using Monte-Carlo Simulation, it was also found that the output risk is most significantly influenced by the pollutant concentration followed by exposure duration and exposure time. The study reveals that Dhanbad city is not only a critically polluted area but also a highly hazardous and cancer-prone area due to the pollution arising from incessant coal mining activities and heavy vehicular movement. Given the paucity of data on exposure to VOCs in ambient air and their risk assessment pertaining to coal mining cities of India, our study provides useful information and insight for the regulatory and enforcing authorities to devise appropriate strategies for air pollution and health risk management in such cities., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper, (Copyright © 2023 Elsevier B.V. All rights reserved.)

Toxic pesticide residues in edible vegetables cause major health risks for consumers, hence quantifying them is essential. However, simultaneous and trace level determination of xenobiotic residues of various classes in complex food matrices is still a challenging analytical task. In this experiment, reduced graphene oxide (RGO-B), a carbon nano-structure with stunning adsorbent properties and ultrahigh surface area (pore size ∼6 Å) was efficiently (≥96%) synthesized via pH-controlled reduction process and characterized by ultraviolet-visible (UV–VIS) spectrophotometer, X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM) and Fourier Transform Infrared (FTIR). Adsorption efficiency of different pH-regulated RGOs was studied in terms of dye (Malachite Green) removal percentage. Two-dimensional carbon (sp2) RGO was used as a dispersive solid-phase extraction adsorbent in a modified QuEChERS method in combination (4:1) with primary secondary amine (PSA) to extract 28 multi-class pesticides (OC, OP, SP) from chilli, cabbage, tomato, and cucumber. The experimental results established the best extraction ability and adsorption capacity of RGO over traditional and high-cost adsorbents. Moreover, the introduction of graphene has helped improve the percent recovery (75.36–118.32%) with acceptable (<12.8%) relative standard deviation (RSD) at limits of quantification (LOQs) (S/N = 10:1) levels of 0.01–0.1 mgL−1. Gas chromatography-mass spectrometry (GC-MS)-based multi-pesticide analytical method was successfully validated as per SANTE/12682/2019 guidelines for monitoring 144 market-fresh vegetables in West Bengal, India. The analysis results indicated that eight (8) samples (5.55%) were contaminated with toxicants 5–10 times higher than the European Union Maximum Residue Limits (EU-MRLs). Matrix removal abilities and cost analysis proved that graphene has significant prospects as an expectant non-conventional adsorbent for low-cost (53.3% cheaper) pesticide residue analysis. [Display omitted] • Development of pH-modified graphene-based nanosorbent for pesticide residue analysis. • Characterization of reduced graphene oxide (RGO-B) with SEM, TEM, and XPS. • Performance evaluation on residue extraction by matrix effect neutralization. • Validation of the RGO-B-based method in accordance with SANTE guidelines. • Application of the cost-effective method to real-market vegetable sample monitoring. [ABSTRACT FROM AUTHOR]

Plants are excellent sources of functionally bioactive compounds and essential nutrients. The phytochemical constituents have enormous potential in treating both plant and human diseases. Parkia timoriana (Yongchak/Zawngtah), one of the most important underutilized plants popularly consumed in Manipur and Mizoram states of Northeastern region of India, is known for its ethnobotanical and ethnomedicinal values. A significant DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2'-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid)), and Phosphomolybdate scavenging activity corresponding to high antioxidant potentials was shown by the extracts from different edible parts of P. timoriana. P. timoriana extract showed significant antibacterial potential against Bacillus pumilus, Bacillus subtillis, Escherichia coli and Pseudomonas aeruginosa. Fourier transform infrared spectroscopy and gas chromatography-mass spectrometry (GC-MS) analyses of the extracts revealed the functional groups and bioactive compounds present in different edible parts of the plant. Characteristic peaks of phenols, carboxylic acids, alkenes, glycogen, alkyl halides, halogen, aliphatic amines, primary and secondary amines, esters, ether, aromatics, lipids, triglycerides, nitro compounds that had antimicrobial, anti-cancer and anti-inflammatory properties etc. were observed. The GC-MS analysis also revealed the occurrence of 49 bioactive compounds that are known to possess a variety of pharmacological activities. Subsequently, in silico molecular docking studies of the identified bioactive compounds predicted potential anticancer and anti-inflammatory properties. To the best of our knowledge, this is the first-hand report on the bioactive compounds of edible parts of P. timoriana extracts showing antioxidant, antimicrobial and pharmacological significance. This study can lead to the production of new herbal medicines for various diseases employing P. timoriana and perhaps leading to the creation of new medications., (© 2022. The Author(s).)

Rhizomes of Zingiber neesanum (Graham) Ramamoorthy, endemic to Western Ghats and subject to few studies, were analysed for bioactivity and phytochemical composition. High total tannin (TT) content in isopropanol extract [55.261 ± 6.623 mg TAE.100 g -1 DW] contributed to antimicrobial activity against gram negative Enterococcus fecalis (21.7 ± 0.6 cm) while high total flavonoid (TF) content in ethyl acetate extract [681.94 ± 33.87 mg CE.100 g -1 DW] accounted for the antifungal activity against Mucor rouxii (9.7 ± 0.6). Isopropanol extracts also showed high anti-oxidant activity as determined by DPPH and FRAP assays. Major bioactive phytochemical constituents in Z. neesanum rhizome identified by GC-MS analysis included 2-Methyl-7-nonadecene (13.99%; antimicrobial), Actinomycin C2 (8.57%; antineoplastic) and Deoxyspergualin (12.55%; immunosuppressive).

Tuberculosis (TB) is an infectious disease that threatens >10 million people annually. Despite advances in TB diagnostics, patients continue to receive an insufficient diagnosis as TB symptoms are not specific. Many existing biodiagnostic tests are slow, have low clinical performance, and can be unsuitable for resource-limited settings. According to the World Health Organization (WHO), a rapid, sputum-free, and cost-effective triage test for real-time detection of TB is urgently needed. This article reports on a new diagnostic pathway enabling a noninvasive, fast, and highly accurate way of detecting TB. The approach relies on TB-specific volatile organic compounds (VOCs) that are detected and quantified from the skin headspace. A specifically designed nanomaterial-based sensors array translates these findings into a point-of-care diagnosis by discriminating between active pulmonary TB patients and controls with sensitivity above 90%. This fulfills the WHO's triage test requirements and poses the potential to become a TB triage test., (© 2021 The Authors. Advanced Science published by Wiley-VCH GmbH.)

The volatile chemicals in the leaves of six Garcinia species viz ; G. assamica , G. dulcis, G. lanceifolia , G. morella var. mucrona, G. pedunculata and G. xanthochymus, collected from North East India, were studied for the first time. The essential oils obtained by hydrodistillation were analyzed by GC-FID and GC-MS, and 64 volatile components were identified. Sesquiterpene hydrocarbons predominated in all the species, and the major compounds were (E)-caryophyllene, α-copaene and β-selinene. The characteristic compound α-copaene was distinguished from its isomer α-ylangene through 13 C NMR analysis. Hierarchical cluster analysis based on the volatile chemical compositions revealed that G. dulcis and G. xanthochymus are very close to each other. The compositions of North East Garcinia species were compared with that of the Western Ghats species.

The metabolite profiling of saffron ( Crocus sativus L.) from several countries was measured by using ultra-performance liquid chromatography combined with high resolution mass spectrometry (UPLC-HR MS). Multivariate statistical analysis was employed to distinguish among the several samples of C. sativus L. from Greece, Italy, Morocco, Iran, India, Afghanistan and Kashmir. The results of this study showed that the phytochemical content in the samples of C. sativus L. were obviously diverse in the different countries of origin. The metabolomics approach was deemed to be the most suitable in order to evaluate the enormous array of putative metabolites among the saffron samples studied, and was able to provide a comparative phytochemical screening of these samples. Several markers have been identified that aided the differentiation of a group from its counterparts. This can be important for the selection of the appropriate saffron sample, in view of its health-promoting effect which occurs through the modulation of various biological and physiological processes.

The hydro-distilled volatile constituents from the stem with leaf and flower of Neanotis lancifolia (Hook.f.) W.H.Lewis (Rubiaceae) were investigated for the first time by using gas chromatography equipped with a flame ionization detector (GC-FID) and gas chromatography coupled with mass spectrometry (GC-MS). Forty-two and twelve compounds were identified from the stem with leaf and flower parts oils, respectively, representing 98.5% and 97.1% of the total oil constituents, respectively. The major constituents were identified as linalool (35.9% stem with leaf; 23.3% flower) and borneol (15.0% stem with leaf; 29.2% flower). The volatile oils of both parts of the plant N. lancifolia were found to be rich in oxygenated monoterpene type of constituents.

Background: The fronds of Drynaria quercifolia have traditionally been used in rheumatic pain management. The goal of the present study was to validate the potent anti-inflammatory and anti-rheumatoid properties of the methanolic-extract of its rhizome using in vitro, in vivo and in silico strategies., Methods: The plant was collected and the methanolic extract was prepared from its rhizome. Protein denaturation test, hypotonicity and heat-induced haemolysis assays were performed in vitro. The in vivo anti-rheumatoid potential was assessed in Freund's complete adjuvant (FCA)-induced Wistar rat model through inflammatory paw-edema, haematological, biochemical, radiological and histopathological measurements. Moreover, metabolites of methanolic extract were screened by gas chromatography-mass spectrometry (GC-MS) and 3D molecular structures of active components were utilized for in silico docking study using AutoDock., Results: In vitro results evinced a significant (p < 0.05) anti-inflammatory activity of the rhizome methanolic extract in a dose-linear response. Further, Drynaria quercifolia rhizome methanolic extract (DME) significantly ameliorated rheumatoid arthritis as indicated by the inhibition of arthritic paw-edema (in millimeter) in the rat rheumatoid arthritis models in both the low (57.71 ± 0.99, p < 0.01) and high dose groups (54.45 ± 1.30, p < 0.001) when compared to arthritic control. Treatment with DME also normalized the haematological (RBC, WBC, platelet counts and hemoglobin contents) and biochemical parameters (total protein, albumin, creatinine and ceruloplasmin) significantly (p < 0.05), which were further supported by histopathological and radiological analyses. Furthermore, GC-MS analysis of DME demonstrated the presence of 47 phytochemical compounds. Compounds like Squalene, Gamma Tocopherol, n-Hexadecanoic acid showed potent inhibition of cyclooxygenase-2 (COX-2), tumor necrosis factor (TNF-α), and interleukin (IL-6) in the docking analysis., Conclusion: Results from in vivo and in vitro studies indicated that DME possesses a potent anti-inflammatory and anti-arthritic activity. In silico studies delineated the emergent potent inhibitory effects of several bio-active components on the target inflammatory markers (COX-2, TNF-α and IL-6).

Background: Rice is an important staple food that is consumed around the world. Like many foods, the price of rice varies considerably, from very inexpensive for a low-quality product to premium pricing for highly prized varieties from specific locations. Therefore, like other foods it is vulnerable to economically motivated adulteration through substitution or misrepresentation of inferior-quality rice for more expensive varieties., Objective: In this article we describe results of a research project focused on addressing potential food fraud issues related to rice supplies in China, India, Vietnam, and Ghana. Rice fraud manifests differently in each country; therefore, tailored solutions were required., Method: Here we describe a two-tiered testing regime of rapid screening using portable Near Infrared technology supported by second tier testing using mass spectrometry-based analysis of suspicious samples., Results: Portable Near Infrared spectroscopy models and laboratory-based Gas Chromatography-Mass Spectrometry methods were developed to differentiate between: high-value Basmati rice varieties and their potential adulterants; six Geographic Indicated protected rice varieties from specific regions within China; various qualities of rice in Ghana and Vietnam; and locally produced and imported rice in Ghana. Furthermore, an Inductively Coupled Plasma-Mass Spectrometry method was developed to support the Chinese rice varieties methods as well as a Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry method for quality differentiation in Vietnam., Conclusions/highlights: This two-tier approach can provide a substantially increased level of testing through rapid screening outside of the laboratory with the reassurance of corroborating mass spectrometry-based laboratory analysis to support decision making., (© AOAC INTERNATIONAL 2020. All rights reserved. For permissions, please email: journals.permissions@oup.com.)

Ethnopharmacological Relevance: Different plants are used for the treatment of various ailments and Acorus calamus L. is one such plant found in Western Himalaya. Rhizome of this plants has ethnomedicinal significance, as its rhizome is used for curing fever, pain and inflammation. An attempt has been made to alter the phytochemicals and increase its antioxidant property in a sustainable way with the help of mycorrhizal inoculation., Aim of the Study: Study of mycorrhizal (Funneliformis mosseae) impact on the biological activities and phytochemical profile of A. calamus L. rhizome and in silico studies of phytochemicals for their anti-inflammatory property., Materials and Methods: F. mosseae was mass multiplied by single spore culture and then A. calamus rhizomes were inoculated with it. Antioxidant potential of rhizome extract was observed by DPPH and FRAP assays and the phytochemical profiling was done with GC-MS analysis. For observing antimicrobial activity disc diffusion method was employed. Dominant phytochemicals α-asarone and monolinolein TMS were chosen for molecular docking studies against four receptors (4COX, 2AZ5, 5I1B, 1ALU)., Results: There was increase in antioxidant activity of rhizome extract after mycorrhizal inoculation. However, no change in antimicrobial activity was observed in the plant after mycorrhizal inoculation. The comparison in phytochemicals was observed by GC-MS analysis which showed qualitative and quantitative variation in biochemical content in plants. The phytochemical, α-asarone and monolinolein TMS showed highest docking score and least binding energy against 1ALU and 4COX respectively for anti-inflammatory activity., Conclusion: Medicinal plants are potential source of antioxidants which can be increased by mycorrhizal inoculation without addition of chemical fertilizers and also results in altering the phytochemical composition., (Copyright © 2020 Elsevier B.V. All rights reserved.)

Rice is one of the most important cereals for human nutrition and is a basic staple food for half of the global population. The assessment of rice geographical origins in terms of its authenticity is of great interest to protect consumers from misleading information and fraud. In the present study, a head space gas chromatography mass spectrometry (HS-GC-MS) strategy for characterising volatile organic compounds (VOCs) profiles to distinguish rice samples from China, India and Vietnam is described. Partial Least Square Discriminant Analysis (PLS-DA) model exhibited a good discrimination (R 2  = 0.98182, Q 2  = 0.9722, and Accuracy = 1.0) for rice samples from China, India and Vietnam. Moreover, Data-Driven Soft Independent Modelling of Class Analogy (DD-SIMCA) and K-nearest neighbors shown good specificity 100% and accuracy 100% in identifying the origin of samples. The present study established VOC fingerprinting as a highly efficient approach to identify the geographical origin of rice., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2020 Elsevier Ltd. All rights reserved.)

The importance of the present study is to find out the phytochemical profile of essential oil (EO) of Artemisia tournefortiana Reichb. and its biological evaluation. Nineteen volatile constituents were identified from EO representing 93.47% of total oil composition. Oxygenated monoterpenes (54.46%) were found to be dominant over other class of compounds. cis-spiroether (47.66%), Z-β-farnesene (22.83%), trans-nerolidol (3.89%) and camphor (3.80%) were found to be the major constituents. cis-spiroether is first time identified in this region. Antibacterial effects were observed against both gram-positive and gram-negative bacteria with maximum zone of inhibition (32 mm) against Staphylococcus aureus and minimum inhibitory concentration (MIC) of all tested strains were found in the range of 1.6-3.4 µg/mL. Hence the antimicrobial effect of this plant EO obtained from the natural source could be utilised in order to overcome the problem of microbial drug resistance. The EO showed moderate antioxidant effect through DPPH assay with IC 50 value of 56.2 µg/mL. The significant antioxidant activity can be attributed to the presence of various conjugated secondary metabolites, phenolics and hydroxyl group bearing constituents present in the essential oil.[Figure: see text].

The aims of this study are to evaluate phytochemical composition, antimicrobial and antioxidant activities of different solvent-assisted blood fruit pulp extracts. The extracts of blood fruit were prepared with various solvents namely, water, ethyl acetate, methanol and acetone. These extracts were divided into two groups, first group of extract were thermosonicated (treated) and the second group were not exposed to thermosonication (untreated). The sample extracts were then evaluated for their antimicrobial properties against various microorganisms. The results revealed that the antimicrobial activity of thermosonicated ethyl acetate extracts at 12 mg/mL concentration exhibited the highest inhibition zone of 19.4 mm against Staphylococcus aureus. The phenolic content of ethyl acetate extract was found to be the highest as compared to that of other solvent extracts and the values were 1508.08 and 1478.34 mg GAE/100 g for treated and untreated samples, respectively. The treated ethyl acetate extract antioxidative activity by DPPH, ORAC, ABTS, and FRAP assay were 1627.68, 2119.82, 938.11, and 2360.18 µmol TE/g, respectively. The minimum bactericidal concentration (MBC - 1.5 mg/mL) against the selected foodborne pathogens was obtained with thermosonicated ethyl acetate blood fruit extract. In the present study, it was observed that the thermosonicated ethyl acetate extract exhibits maximum antioxidant and antimicrobial activities than any other examined solvent extracts. The major bioactive volatile compounds found in treated ethyl acetate extracts were 2-bromotetradecane, tetracosane, heptadecane, eicosane and palmitic acid. These bioactive compounds can be utilizable for the development of functional, nutraceutical and pharmacological products.

A hallmark of mortality and morbidity, malaria is affecting nearly half of the world's population. Emergence of drug-resistant strains of malarial parasite prompts identification and evaluation of medicinal plants and their constituents that may hold the key to a new and effective anti-malarial drug. In this context, nineteen methanolic extracts from seventeen medicinal plants were evaluated for anti-plasmodial potential against Plasmodium falciparum strain 3D7 (Chloroquine (CQ) sensitive) and INDO (CQ resistant) using fluorescence based SYBR-Green assay and for cytotoxic effects against mammalian cell lines. Leaf extract of two plants showed promising in vitro anti-malarial activity (Pf3D7 IC 50  ≤ 10 μg/ml); one plant extract showed good activity (Pf3D7 IC 50  = 10.1-20 μg/ml); seven were moderately active (IC 50  = 20.1-50 μg/ml), four plant extracts showed poor activity (PfD7 IC 50  = 50.1-100 μg/ml) and five extracts showed no activity up to IC 50  = 100 μg/ml. Further, six extracts were found equipotent to PfINDO (resistance index ranging 0.4-2) and relatively nontoxic to mammalian cell lines HEK293 (cytotoxicity index ranging 1.4-12.5). Based on good resistance and selectivity indices, three extracts were evaluated for in vivo activity in Plasmodium berghei ANKA infected mice at a dose of 500 mg/kg and they showed significant suppression of P. berghei parasitemia. Further, these active plant extracts were fractionated using silica-gel chromatography and their fractions were evaluated for anti-plasmodial action. Obtained fractions showed enrichment in antimalarial activity. Active fractions were analyzed by gas chromatography and mass-spectrometery. Results suggests that the three active plant extracts could serve as potent source of anti-malarial agent and therefore require further analysis., (Copyright © 2020 Elsevier Inc. All rights reserved.)

An efficient single quadrupole gas chromatography with mass spectrometry method was developed and validated for the determination of indoxacarb residues in tomato and soil. Residues were extracted from the samples using acetonitrile as extracting solvent and the extracts were purified through primary secondary amine and graphitized carbon black. Recoveries were obtained in the range of 92.12-110.51% with the relative standard deviation of 1.32-4.32%. Indoxacarb dissipated with half-life of 3.12-3.21 and 1.24-1.35d for tomato and soil, respectively following doses of indoxacarb 14.5% SC at 60, 90 and 120 g.a.i./ha. Safe waiting periods were found to be 1-3d. The residues were removed from tomato fruit was in the range of 16.73 to 54.32% using simple decontamination approaches. The present study suggest that the use of indoxacarb in tomato at recommended dose, does not seem to pose any dietary risk to the consumers. The soil RQ values indicated low level of risk to earthworms and arthropods., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2020 Elsevier Ltd. All rights reserved.)

The marine ecosystem is an extraordinary reserve of pharmaceutically important, bioactive compounds even in this "synthetic age". Marine algae-associated endophytic fungi have gained prominence as an important source of bioactive compounds. This study was conducted on secondary metabolites of Chaetomium globosum-associated with marine green alga Chaetomorpha media from the Konkan coastline, India. Its ethyl acetate extract (CGEE) exhibited an IC 50 value of 7.9 ± 0.1 µg/mL on MCF-7 cells. CGEE exhibited G2M phase cell cycle arrest, ROS production and MMP loss in MCF-7 cells. The myco-components in CGEE contributing to the cytotoxicity were found by Gas Chromatography/Mass Spectrometry analyses. Chrysin, a dihydroxyflavone was one of the forty-six myco-components which is commonly found in honey, propolis and passionflower extracts. The compound was isolated and characterized as fungal chrysin using HPLC, UV-Vis spectroscopy, LC-MS, IR and NMR analyses by comparing with standard chrysin. The purified compound exhibited an IC 50 value of 49.0 ± 0.6 µM while that of standard chrysin was 48.5 ± 1.6 µM in MCF-7 cells. It induced apoptosis, G1 phase cell cycle arrest, MMP loss, and ROS production. This is the first report of chrysin from an alternative source with opportunities for yield enhancement.

Background and Aims: Type 2 Diabetes Mellitus (T2DM) is known to be associated with an increase in total plasma free fatty acid (FFA) concentration. The present study was conducted to determine the changes in plasma fatty acids at different levels of glycation in type 2 diabetes mellitus., Methods: The study involved 50 subjects having different levels of glycation (HbA1c 4.9-15.0%) and further categorized in 5 groups [group 1 (HbA1c <6%), group 2 (HbA1c 6-7%), group 3 (HbA1c 7.1-9%), group 4 (HbA1c (9.1-12%) and group 5 (HbA1c >12%)] with 10 subjects in each group., Results: A total of 19 free fatty acids were detected by gas chromatography-mass spectrometry (GC-MS) analysis in the plasma samples. The levels of lauric acid (C12:0) and stearic acid (C18:0) were significantly raised at an advanced stage of glycation (HbA1c 9.1-15%). Long-chain fatty acids, pentadecanoic acid (C15:0) and palmitic acid (C16:0) levels were elevated in hyperglycemia as compared to normoglycaemic subjects (HbA1c <6%). Moreover, levels of mono and polyunsaturated fatty acids, oleic acid (C18:1) and linoleic acid (C18:2, w6) were significantly decreased in patients with increased levels of glycation (HbA1c 6-15%)., Conclusion: GC-MS is a novel way to study the plasma fatty acid profiling and findings of this study suggest that monitoring alterations in plasma FFA profile may be of prognostic value., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2020 Diabetes India. Published by Elsevier Ltd. All rights reserved.)

Hydro-distilled essential oils, from fresh rhizomes and leaves of Curcuma mutabilis Škorničk., M.Sabu & Prasanthk., characterized by GC-MS revealed the presence of thirty three and twenty three compounds therein respectively. Whilst estrone methyl ether (3-Methoxyestra-1,3,5(10)-trien-17-one) was the major component in rhizome oil (47.35%), sesquiterpene hydrocarbons predominated as the major group (63.92%) in leaf oil with a higher preponderance of β-caryophyllene (25.48%), β-farnesene (19.47%) and α-humulene (11.01%). Weak antioxidant activities observed in these oils determined by DPPH and ABTS methods were apparently influenced both by the oil composition and the assay conditions. Rhizome oil showed higher antiproliferative activity than leaf oil against leukemic K562 (IC 50 -6.8µg/mL) and colorectal HCT116 (IC 50 -8.5µg/mL) cancer cell lines. This first report reveals composition and biological activities of essential oils from C. mutabilis .

Elettaria cardamomum (L.) Maton prestigiously called as Indian cardamom and is mostly cultivated in south India at higher altitudes ranging from 900 to 1400 msl. The chemical composition of dry capsules essential oil of the four distinct varieties was chemo-profiled by gas chromatography-mass spectrometry (GC-MS). Results revealed a higher concentration of major monoterpene 1, 8-Cineole ranging between 28.94% and 34.91% in PV 1 and PV 2 varieties respectively. Other monoterpenes like α-Pinene, Sabinene, Linalool, α-Terpineol and Nerol were present considerable quantities in all of the four cardamom varieties. Two sesquiterpenic constituents namely, ç-Elemene and 1,6,10-dodecatrien-3-ol (Nerolidol) were identified in all varieties. Three ester constituents were also obtained in PV 1 in which α-Terpinyl acetate (26.68%) exhibited as a major ester constituent followed by Ocimenyl acetate (0.80%) and E5-Dodecenyl acetate (0.30%). This is the first published report on the phytochemical concentration of recent varieties of Indian cardamom.[Formula: see text].

This study is aimed to investigate the aroma composition, phenolic acid, antioxidant activities and computational analysis of essential oils of five different parts of A. columnaris (G. Forst.) Hook. from India. The essential oils were obtained from the fresh root, stem, leaves, bark, and branch of A. columnaris by hydro-distillation using a Clevenger apparatus: the volatile composition was examined by GC-MS; the phenolic acid quantification by RP-HPLC-DAD and the estimation of antioxidant potential by TAC, FRAP, CUPRAC, MCA, DRSC, and NOSC assays. Total 136 chemical compounds i.e. root-60, stem-55, leaves-50, bark-55 and branch-42 were identified in essential oils by GC-MS and major constituents were β-pinene, terpinolene, 2-nonanone, pinocarveol, trans-verbenol, dihydrocarvone, dodecane, thymol, isolongifolene, α-copaene, α-gurjunene, β-caryophyllene, isoledene, γ-muurolene, γ-cadinene, etc. The five phenolic acid contents were determined by RP-HPLC-DAD with AR: 91-99%, LOD: 0.010269-0.119857 mg/g and LOQ: 0.039553-0.003388 mg/g. The Density Functional Theory (DFT) study was carried out on the main phytochemicals present in essential oils of A. columnaris in a manner to support the experimental results and give detailed of antioxidants and reactivity parameters. The results suggested that the essential oils of A. columnaris have high antioxidant potential due to the presence of phenolic acids and aroma compositions., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2020 Elsevier Ltd. All rights reserved.)

Non-enzymatic reactions between proteins and methylglyoxal (MG) result in the formation of advanced glycation end products (AGEs). These AGEs play a vital role in the development of diabetic complications by stimulating oxidative stress and acting upon their receptor RAGE (Receptor for Advanced Glycation End products). This study examined the effect of aqueous methanol extract of Bombax ceiba L. calyxes (BCCE) on MG induced protein glycation and oxidative stress, followed by the identification of phytometabolites present in the calyxes using gas chromatography-mass spectrometry (GC-MS). The study revealed that priming of bovine serum albumin protein with the BCCE inhibited MG induced AGE formation in vitro and restrained AGE-induced RAGE up-regulation in HEK-293 cells. The BCCE significantly (p < 0.001) reduced the MG induced increase in reactive oxygen species (ROS), NADPH oxidase (NOX), and mitochondrial dysfunction. Improvements in the levels of antioxidant enzymes such as Mn and Cu/Zn-superoxide dismutase and glutathione reductase were also observed in HEK-293 cells. Furthermore, the decrease in primary cellular defense against AGEs, the glyoxalase 1 (Glo-1) activity, due to MG treatment was restored in BCCE treated cells. GC-MS analysis revealed the presence of antioxidant and antiglycation compounds such as myo-ionisitol, scopoletin, d-sedoheptulose, succinic acid, and xylitol in B. ceiba calyxes. The observed beneficial effect in our study might be attributed to the presence of these compounds in B. Ceiba calyxes. This is the first report presenting the antioxidant and antiglycation activities of B. ceiba calyxes and GC-MS analysis of active phytometabolites. These observations show that B. ceiba calyxes may become a potent and promising functional food to manage/control the development of diabetic complications.

Background: There is an increasing global demand for traditional medicines because of their efficacy, ease of availability, and few or no side effects. The Unani medicines have long been used in India and abroad for various disorders and diseases. Arqiyat (Arq; distillate) is one of the most widely used Unani formulation prepared by simple distillation from single or combination drugs., Objective: In the present investigation, an attempt has been made to generate data for quality control and stability testing of Arq formulations of the Unani Pharmacopeia of India that includes only three Arq formulations., Method: Arq-e-Nana (AeN), Arq-e-Gazar (AeG), and Arq-e-Brinjasif (AeB) were prepared through hydrodistillation. Quality control and stability analysis were performed by using HPTLC and GC-MS., Results: Dichloromethane extract of AeB showed maximum of 10 bands at different retardation factor values; however, there are 7 bands in AeN as well as in AeG. GC-MS analysis showed presence of 10 metabolites in AeG, 8 in AeN, and 9 in AeB. Stability studies showed that the shelf life of Arq formulations would be enhanced at refrigeration (5 ± 2°C) conditions., Conclusions: The present study highlights quality control and stability analysis of Arq formulations of Unani Pharmacopeia of India using HPTLC and GC-MS., (Copyright ©2020 by AOAC International, Inc. All rights reserved.)

Background: Aspergillus fumigatus, an opportunistic fungal pathogen is associated with a wide array of diseases. It produces 1, 8-dihydroxy naphthalene (DHN) melanin that imparts greenish grey color to conidia and is an important virulence factor. It masks various molecular patterns associated with A. fumigatus and protects the fungus from host immune system. Myristica fragrans, enriched with secondary metabolites has been traditionally used for the treatment of infectious and inflammatory diseases. The present study was aimed to explore the anti-melanogenic effect of M. fragrans extracts on A. fumigatus., Methods: M. fragrans extracts (hexane, chloroform, methanol and ethanol) were prepared through polarity guided extraction. Phytochemical analysis was performed to detect the chemical constituents of the extracts. The minimum effective concentration (MEC) of the extracts against A. fumigatus melanin was determined by broth micro-dilution assay. Various virulence factors were assayed by spectrophotometric methods. Electron microscopic studies were performed to evaluate the effect of the hexane extract of M. fragrans on A. fumigatus cell surface morphology. The major active compounds of the extract were detected by gas chromatography-mass spectrometry (GC-MS). Docking was performed to study the interaction between the major identified compounds and the ketosynthase domain of polyketide synthase protein., Results: The results indicated that the hexane extract of M. fragrans inhibited melanin production (76.09%), reduced ergosterol content (83.63%) and hydrophobicity of the cell (72.2%) at the MEC of 0.078 mg/mL. Altered conidial surface, disappearance of protrusions and absence of melanin layer on outer cell surface was observed in electron microscopy. Forty-two compounds were identified by GC-MS. The main constituents were identified as sabinene (12.2%), linoleic acid (11.7%), hexadecanoic acid (10.5%), safrole (8.1%) and elemicin (7.8%). Docking studies revealed that hexadecanoic acid, its derivative compound cis-9-hexadecenal and isoeugenol have lower binding energy forming proper hydrogen bond with ketosynthase domain of polyketide synthase protein., Conclusion: The study concludes that the extract of M. fragrans has potential antifungal properties that can be explored in combination with available antifungals. This combination approach may be helpful for large number of patients suffering with A. fumigatus infections.

Background: Although India is an important producer of litchi fruit, there is hardly any validated method available for its pesticide residue analysis. This strongly warrants the need to standardize a simple multiresidue analytical method for efficient analysis of multiclass pesticides with specificity, sensitivity, and accuracy in a single chromatographic run in combination with MS determination., Objective: The aim of this study was to develop and validate a rapid ethyl-acetate-based sample preparation method for a simultaneous determination of 86 pesticides in litchi fruit by using GC-tandem MS., Methods: The method involved ethyl acetate as an extracting solvent and a combined salt system comprising sodium chloride and sodium sulphate for the organic layer separation. To obtain satisfactory recovery percentage of each pesticide studied here, this combination was selected for further validation based on selectivity, sensitivity, linearity, precision, and accuracy values., Results: The correlation coefficient (r2) of studied pesticides ranged between 0.97 and 0.99 at six concentration levels from 5 to 250 ng/mL. Furthermore, the average recovery values were within 70 and 120%, with repeatability relative SD below 20% for all 86 pesticides at the LOQ level and with an appreciable Horwitz ratio distribution that ranged between 0.5 and 2., Conclusions: All data demonstrate that the proposed method is adequately linear, accurate, and repeatable. Therefore, it can be widely used in commercial laboratories for analyzing pesticide residues for both domestic and export purposes. The method is in support of protecting consumer health., Highlights: A large-scale multiresidue method is reported for simultaneous analysis of a wide range of pesticides in litchi. The method complies with the regulatory requirements in terms of sensitivity for maximum residue limit compliance. The performance of the method complied with the SANTE guidelines of analytical QC., (© AOAC INTERNATIONAL 2020. All rights reserved. For permissions, please email: journals.permissions@oup.com.)

Background: This investigation was designed to evaluate the chemical composition, antioxidant, anti-inflammatory, genotoxicity, and antimicrobial activities of Curcuma caesia Roxb rhizome essential oil., Methods: Gas Chromatography/Mass Spectroscopy (GC/MS) analysis was performed to determine the chemical composition, standard antioxidative test DPPH assay, reducing power assay, in vitro antiinflammatory activity (egg albumin denaturation, protease inhibitory assay) by using standard methods. Similarly, antimicrobial activity was tested using the disc diffusion method, minimum inhibitory concentration ability (MIC); while to test genotoxicity, Allium cepa assay was used., Results: GC/MS analysis revealed eucalyptol (28.55%), epicurzerenone (19.62%), and camphor (21.73%) as the major components of C. caesia rhizome essential oil. Potent antioxidant (IC50= 48.08±0.003 μg/mL), anti-inflammatory (IC50= 121.7±0.0013 μg/mL), and antimicrobial activities of the essential oil were recorded better than the standard drugs Fluconazole for fungus and Ciprofloxacin for bacteria. The essential oil also possessed a strong antibacterial effect against two tested bacterial strains B. subtilis and B. cereus with 7.5 μg/mL MIC value, while for fungal strains the essential oil was most effective against S. cereviaceae with an MIC value of 2.5 μg/mL. All the data were recorded in triplicates. Allium cepa assay revealed minor genotoxicity with mitotic index, MI= 27.70%; chromosome aberration, A= 1.1% of C. caesia rhizome essential oil., Conclusion: C. caesia rhizome essential oil possesses potent antioxidant, anti-inflammatory, and antimicrobial properties with negligible genotoxicity. Hence, the present study is highly significant for the utilization of rhizome of C. caesia, a high-value ethnopharmacological plant for advanced R & D and commercial application., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

This investigation focused on the potential sources of polycyclic aromatic hydrocarbons (PAHs) in different matrices and their temporal variations surrounding a coal-fired thermal power plant in India. Samples were collected in different seasons for 1 year. Gas chromatography-mass spectroscopy (GC-MS) was used to perform the measurement of 16 priority PAHs. Average PAH concentrations were ranged from 0.71 to 2.99 ng/m 3 in air and 1.59-22.7 ng/g in soil respectively. High levels of PAHs were found in soil compared to air, which indicated deposition in soil. This could be because of the fallout of high-molecular-weight compounds. During the monsoons, PAH concentrations in the air were the lowest compared to the other seasons because of the dilution effect. Phenanthrene, fluoranthene, and pyrenes were dominant in the air, contributing up to 32.5%, 22.7%, and 19.2% of total PAHs, respectively. On the other hand, soils contained fluoranthene (12.3%), pyrene (10.7%), benzo[b]fluoranthene (10%), chrysene (9.82%), and indeno[123-c,d]pyrene (9.64%) compounds. The occurrence of indeno[1,2,3-cd]pyrene (9.14 ng/g) indicated that the soil is contaminated from fly ash and diesel emissions from the thermal power plant and vehicular emission. The diagnostic ratios, thematic maps, and principal component analysis revealed that the fly ash, diesel emissions from the thermal power plant, vehicles, and biomass burning were the probable sources of PAHs in the study area. The human health risk assessment studies reveal that the soil samples are more prone to carcinogenicity than air samples. As per our knowledge, this is the first report on the impact of PAHs on air and soil in this region.

Globally, the human population is exposed to low doses of pesticides due to its extensive use in agriculture. The chronic exposure to pesticides can lead to cancer, depression, anxiety, Parkinson's and Alzheimer's diseases etc. Here, we have made an attempt to use mass spectrometry based metabolomics to investigate the metabolic perturbations induced by the pesticides in the urine and saliva samples of farmers from the Madhya Pradesh State of India. The study was aimed to establish non-invasive matrices like urine and saliva as alternative diagnostic matrices to the occupational exposure studies. Saliva and urine samples were collected from 51 pesticides applicators and acquired metabolic profiles of urine and saliva samples using gas chromatography-mass spectrometry (GC-MS). Multivariate pattern recognition and pathway analysis were used to analyze and interpret the data. Investigation of endogenous metabolic profiles revealed remarkable discrimination in both saliva and urine samples of the exposed population strongly suggesting the changes in metabolic composition within the identified metabolites (for urine samples: accuracy 0.9766, R 2  = 0.9130, Q 2  = 0.8703; for saliva samples, an accuracy of 0.9961, R 2  = 0.9698, Q 2  = 0.9637). Thirteen metabolites of urine samples and sixteen metabolites of saliva samples were identified as differential metabolites specific to pesticide exposure. Pathway analysis of differential metabolites revealed that amino acid metabolism, energy metabolism (glycolysis and TCA cycle) and glutathione metabolism (oxidative stress) were found to affect in pesticide exposed population. The present study suggested that GC-MS based metabolomics can help to reveal the metabolic perturbations in human population after pesticides exposure., (Copyright © 2019 Elsevier Ltd. All rights reserved.)

Gut microbiome plays a vital role in human health. Human fecal and urine metabolome could provide a functional readout of gut microbial metabolism as well as its interaction with host and diet. However, this relationship still needs to be fully characterized. We established an untargeted GC-MS metabolomics method which enabled the detection of 122 and 86 metabolites including amino acids, phenolics, indoles, carbohydrates, sugars and metabolites of microbial origin from fecal and urine samples respectively. 41 compounds were confirmed using external standards. Next, we compared the fecal and urine metabolome of 16 healthy Indian and Chinese adults, ages 22-35 years, using a combined GC-MS and LC-MS approach. We showed dietary habit or ethnicity wise grouping of urine and fecal metabolite profiles of Indian and Chinese adults. Our analysis revealed 53 differentiating metabolites including higher abundance of amino acids and phenolics in Chinese and higher abundance of fatty acids, glycocholic acid, metabolites related to tryptophan metabolism in Indian adults. Correlation analysis showed a strong association of metabolites with gut bacterial profiles of the same subjects in the genus and species level. Thus, our results suggest that gut bacterial compositional changes could be eventually monitored and probed using a metabolomics approach.

The chemical constituents of the essential oils hydrodistilled from rhizome parts of Hedychium greenii W.W. Sm. and Hedychium gracile Roxb, of family Zingiberaceae, growing in India, were analysed for the first time by GC-FID and GC-MS, respectively. A total of 30 and 29 components representing 99.62 and 96.74% of the total oil were identified in the essential oils of H. greenii and H. gracile , respectively. The major components of H. greenii were bornyl acetate (31.32%), α -pinene (14.49%), camphene (12.81%) and limonene (10.55%), whereas H. gracile was dominated by β -pinene (25.24%), γ -terpinene (24.62%), terpinen-4-ol (14.87%) and 1,8-cineole (7.51%). Essential oils were assessed for antioxidant potential using 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2'-azino-bis (3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) radical scavenging assay. H. greenii oil exhibited stronger antioxidant potential as compared to H. gracile oil and butylated hydroxytoluene (BHT). Thus, H. greenii rhizome oil has the potential to be used as an alternative source of antioxidant.

The repeated application of herbicide can alter its persistence in the environment. In India, wheat fields are exposed to herbicide application at least once in the cropping season. The present study investigated the dissipation behavior of pendimethalin applied annually to a wheat field over four cropping seasons from 2012 to 2016. The dissipation studies were also conducted under laboratory conditions during 2015-2016. Pendimethalin from soil and wheat grain samples was extracted using matrix solid-phase dispersion and quantified using high-performance liquid chromatography and gas chromatography-tandem mass spectrometry. The average recoveries of pendimethalin from soil and crop produce ranged from 81.3% to 103.1%. The half-life of pendimethalin ranged from 20.9 to 31.3 days and 9.4 to 60.2 days under field and laboratory conditions, respectively. Dissipation of pendimethalin varied significantly over the years under field conditions and was comparatively faster than under laboratory conditions. On the other hand, non-significant variation in the dissipation of pendimethalin in soils under laboratory conditions was observed. The residues of pendimethalin in crop produce at harvest were below the maximum residue limit set by EPA.

The long-term ecological risk of synthetic organic contaminants, exclusively endocrine disrupting chemicals (EDCs) such as phthalates has threatened reclaimed seawater quality in marine environment. In this study, environmental distributions of 14 phthalic acid esters (PAEs) in seawater, and biota (fish and crab) across Thane Creek, Mumbai India is reported. Identification and quantifications of phthalates in environmental matrices was carried out using GC-MS technique. Abundance of phthalates in each matrix was discussed and compared with literature value. Total phthalate esters concentrations in seawaters, fish and crab samples were found to be 104.8 ± 37.8 μg L -1 , 113 ± 36.4 μg g -1 and 155 ± 38 μg g -1 (dry weight) respectively. Di-n-butylphthalate (DBP) was most abundant compound among analyzed PAEs in all tested aquatic media. In situ bio-concentration factors (BCFs) were calculated for all monitored phthalates in fish and crabs and compared with log K ow values. Risk quotient and estradiol equivalent concentration were also calculated to evaluate ecological risk and estrogenic potential of seawater in terms of DBP and di (2-ethylhexyl) phthalate. The average values of total PAEs daily intake were calculated as 58.1 ± 13.6 and 79.6 ± 19.6 (µg kg -1 -bw/day) for fish and crab respectively in an adult population.

The aim of the present study is to investigate the antimicrobial potency of leaves from various extracts of Capparis zeylanica, Streblus asper and Tribulus terrestris were evaluated. In addition, this is the first report on MIC, MBC/MFC antimicrobial activities of above mentioned plants and also identify the phytochemical, functional groups by GC-MS and FT-IR respectively. Soxhlet extraction method was used for preparation of different extracts viz., aqueous, petroleum ether, ethyl acetate and methanol. The extracts were examined against Staphylococcus epidermidis, Enterococcus faecallis, Salmonella paratyphi, Shigella dysenteriae, Candida albicans and Mycobacterium tuberculosis by agar well diffusion method, and Minimum Inhibitory Concentratioon (MIC), Minimum Bactericidal/Fungicidal Concentration (MBC/MFC) values were determined through micro dilution method. Phytochemical analysis of compounds was carried out by GC-MS analysis and functional groups were identified by FT-IR. Based on the outcome of our results, Ethyl acetate extract Showed significant antimicrobial activity against the tested pathogens especially, for C. albicans (40 mm) followed by ethyl acetate of S. asper against S. paratyphi (38 mm). While, the least inhibition was observed with aqueous extract of T. terrestris against S. paratyphi (10 mm). The MIC ranged from 3.21 mg/ml to 50 mg/ml and MBC/MFC 6.25 mg/ml to 50 mg/ml was recorded. Ethyl acetate extracts of almost all samples showed better activity than other extracts in inhibition growth of pathogens. Phytochemical analysis exhibited the presence of Steroids, tannins and cardiac glycosides were found only in ethyl acetate extract of C. zeylanica. Functional group of leaf extract was confirmed by FT-IR spectrum and GC-MS analysis of the ethyl acetate extract revealed the presence of 20 compounds. The results revealed that ethyl acetate extract of C. zeylanica leaves has potential activity than the other extracts as well as standard drugs (Gentamycin and Ketocozole). Hence, this plant may be recommended for further studies in isolation of active compounds and related pharmacological activities., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

The modern people are preparing the natural medicines from the plants and their parts for curing various diseases. The present study was chosen Hibiscus rosa-sinensis flowers to analyze its antimicrobial capabilities against venereal diseases causing pathogens. In this study, the antimicrobial activity performed in different solvents prepared flower extracts using agar well diffusion method. Among the extracts, the methanolic flower extract of Hibiscus rosa-sinensis shows better results than other solvents extracts. The extract analysed by GC-MS which was exposes seven bioactive molecules. These bioactive molecules were docked with N. gonorrhoea protein. Finally, benzene dicarboxylic acid had best glide docking XP scores -7.955 with better binding energy values (-38.692 kcal/mol) than other ligand molecules. Hence, this molecule was isolated from the flowers of H. rosa-sinensis. After that, the different concentrations of 1,2 benzene dicarboxylic acid were tested on human diseases causing microbial strains. There, all the levels were showed good anti-gonorrhoeal activity against N. gonorrhoeae. Hence this study suggested that 1,2 benzene dicarboxylic acid could be used as a better drug candidate for venereal diseases., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

The present study was aimed to evaluate the antimicrobial activities of bioactive compounds synthesized from vermicast isolated actinomycetes species. Specifically, the synthesized bioactive compounds were evaluated for their antimicrobial activity against selected Gram + ve and Gram - ve human pathogenic bacteria including Staphylococcus aureus, Bacillus circulans, Bacillus subtilis, Pseudomonas aeruginosa, and Escherichia coli. Interestingly, a total of five different actinomycetes species were recovered from vermicasts. More interestingly, among these potential actinomycetes species, the bioactive compounds synthesized by isolate AS9 showed a significant antibacterial activity and its mean zone of inhibition was found at 11.3 ± 1.6 mm, 9.5 ± 0.91 mm, and 9.9 ± 1.71mm against S. aureus, B. subtilis, and B. circulans, respectively. Furthermore, according to antibacterial activity and spectrum broadness, three of the actinomycetes strains were selected and characterized by conventional methods. Subsequently, the bioactive compound profiling of these isolated actinomycetes strains performed through GC-MS analysis indicating the presence of the bioactive compounds including 3, octadecene (E), behnic alcohol phenol, 2,4-bis(1,1-dimethyl ethyl) 1-nonadecene, 1-heneicosanol, milbemycin 3-eicosene (E), and 1-docosanol., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

The phospholipids of two moss samples Oreoweisia laxifolia (Hookf.) Kindb. (family-Dicranaceae Schimp.) and Leptodontium viticulosoides (P. Beauv.) Wijk & Margad (family-Pottiaceae Schimp.) of the Eastern Himalayan Biodiversity Hotspot were investigated to find out any peculiarity in their fatty acid profiles. Detailed analysis of phospholipid classes and the respective fatty acids was performed using high-performance thin-layer chromatography and gas chromatography-mass spectrometry. An array of different saturated and unsaturated fatty acids were detected in both the samples. Although it has been proposed previously that acetylenic fatty acids are associated only with triacylglycerol of storage lipids, the most striking observation of the present investigation is the abundance of an acetylenic fatty acid, octadeca-6-yn-9,12,15-trienoic acid (18:4a), or Dicranin, in the phospholipids of both the mosses. The position of the triple bond in the hydrocarbon chain of the fatty acids was confirmed by dimethyloxazoline derivatization of fatty acids and their characteristic mass fragmentation pattern. The occurrence of Dicranin in phospholipids and in the Pottiaceae family is reported for the first time, with substantial explanations of the observed results. This may raise the issue of rethinking "Dicranin" as a chemotaxonomic marker of Dicranaceae., (© 2018 AOCS.)

The chemical composition and seasonal variation of the essential oil from the aerial parts of Plectranthus hadiensis grown during the rainy and summer seasons in the Western Ghats of India was analysed by GC-MS technique. The analysis of rainy season oil led to the identification of 31 compounds, representing 96.4% of the essential oil and the winter season oil led to 25 compounds, representing 95.1% of the oil. Most of the compounds were sesquiterpenes and oxygenated monoterpenes. The major components of the rainy season oil were L-fenchone (30.42%), β-farnesene (11.87%), copaene(11.10%), 2,3-dimethyl hydroquinone (10.78%), α-caryophyllene(8.41%) and piperitone oxide (3.94%) and of the summer season oil are L-fenchone (31.55%), copaene(11.93%), β-farnesene (10.45%), 1,8-naphthalenedione, 8a-ethylperhydro (10.06%), α-caryophyllene(6.36%), piperitone oxide (5.79%) and limonene(4.63%). Antibacterial activity of the essential oil of P. hadiensis was tested using zone of inhibition and minimum inhibition concentration methods. Both the oils inhibited the organisms and showed the zone of inhibition in the range of 20-35 mm with MIC values between 32 and 64 mg/dL.