Trace metals and pesticides in water-sediment and associated pollution load indicators of Netravathi-Gurupur estuary, India: Implications on coastal pollution.

Various environmental indicators were used to evaluate the water and sediment quality of the Netravathi-Gurupur estuary, India, for trace metals and pesticide pollution. The descended order of studied metal concentrations (µg/L) in the water was Fe (592.71) > Mn (98.35) > Zn (54.69) > Cu (6.64) > Cd (3.24) > Pb (2.38) > Cr (0.82) and in sediment (mg/kg) was Fe (11,396.53) > Mn (100.61) > Cr (75.41) > Zn (20.04) > Cu (12.77) > Pb (3.46) > Cd (0.02). However, pesticide residues were not detected in this estuarine environment. The various metal indexes categorised the water as uncontaminated, whereas contamination factor, enrichment factor, geo-accumulation index, degree of contamination and pollution load index indicated low to moderate sediment contamination. Multivariate statistics showed that the dominance of natural sources of trace metals with little anthropogenic impact. Improvement in water/sediment quality during the study period might be due to COVID-19 imposed lockdown.

In Vitro Antibacterial Efficacy of Cymbopogon flexuosus Essential Oil against Aeromonas hydrophila of Fish Origin and in Silico Molecular Docking of the Essential Oil Components against DNA Gyrase-B and Their Drug-Likeness.

In aquaculture, diseases caused by the Aeromonads with high antibiotic resistance are among the most common and troublesome diseases. Application of herbs is emerging as a tool in controlling these diseases. Plant extracts besides disease control, favor various physiological activities in fish. In this study, essential oil of Cymbopogon flexuosus (Poaceae family) was studied in vitro for its antibacterial efficacy against two oxytetracycline (OTC) resistant and one sensitive strains of Aeromonas hydrophila. The oil was found rich (86.93 %) in oxygenated terpenoids containing 74.15 % of citral. The oil exhibited dose dependent growth inhibition of the bacteria. Mean MIC value of the oil against the sensitive strain was recorded as 2.0 mg mL-1 whereas MBC value was recorded as 4.0 mg mL-1 . The oil was found effective against the OTC resistant isolates with the MIC and MBC values ranging from 2.67-3.33 and 4.0-6.67 mg mL-1 , respectively. In silico molecular docking of the essential oil components against DNA gyrase-B, a vital macromolecule in bacterial cell, was carried out to computationally asses the efficacy of the oil against the bacteria. Some of the components of the essential oil strongly bonded with the enzyme to inhibit its efficacy. Binding energy of some components of the oil was comparable to that of the conventional antibiotic, OTC. The identified phytochemicals exhibited favorable physicochemical and pharmacokinetic properties and satisfied the rule of five (Ro5).

Valorization of Java citronella (Cymbopogon winterianus Jowitt) distillation waste as a potential source of phenolics/antioxidant: influence of extraction solvents.

Solid residues obtained after essential oil extraction from Cymbopogon winterianus Jowitt (Java citronella) was explored as a potential source of phenolics/antioxidant. Both the non-distilled plant materials and their solid residues were extracted with Soxhlet extraction method using solvents of various polarity viz. petroleum ether, chloroform, ethyl acetate, acetone, ethanol, methanol, water and various combination of (50% and 75%) of methanol, ethanol, and acetone in water. Different antioxidant assays like 2,2-diphenyl-1- picrylhydrazyl (DPPH), 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS), superoxide anion (SO) radical scavenging assay, ferric-reducing antioxidant power (FRAP) and iron chelating ability along with total phenol (TPC) and flavonoid content (TFC) was measured to evaluate the extract. Compared to distilled materials, the non-distilled plant materials had significantly higher TPC/TFC content and also exhibited higher antioxidant activities. 50% aqueous methanol showed the highest extractive yield, whereas 75% aqueous methanol exhibited the highest TPC and TFC content. The 50% or 75% aqueous methanolic extract also exhibited the highest DPPH, ABTS and SO scavenging activity and ferric-reducing antioxidant power activity. However, ethyl acetate and 75% aqueous acetone extract of non-distilled and distilled plant materials, respectively showed the highest iron chelating activity. The half maximal effective concentration (IC50 = µg/mL) for DPPH, ABTS, SO and metal chelating ability in non-distilled plant extract ranged from 64-387, 92-761, 285-870, and 164-924, respectively, and corresponding value of distilled materials ranged from 144-865, 239-792, 361-833 and 374-867, respectively. The EC50 (µg/mL) for FRAP assay ranged from 118-840 and 151-952 for non-distilled and distilled materials, respectively. The findings of this study indicate the potential of these by-products as a natural antioxidants source.

Kimura's disease involving bilateral lacrimal glands and extraocular muscles along with ipsilateral face: A unique case report.

A 23 year female presented with bilateral recurrent swelling of eyelids along with ptosis and proptosis for last 3 years. She also had swellings over the right cheek, parotid gland, and retro auricular area along with regional lymphadenopathy. Systemic laboratory workup revealed raised serum IgE and a high peripheral eosinophil count. Computed tomography and magnetic resonance imaging showed bilateral enlargement of extraocular muscles, lacrimal glands, and ipsilateral parotid gland. Excision biopsy of the retro-auricular lymph node was suggestive of Kimura's disease (KD). The patient responded well to systemic corticosteroid. KD rarely affects orbit, but it should be included in the differential diagnosis of inflammatory diseases of the orbit. To our knowledge, this is the first reported case of KD from India involving the orbit, lacrimal gland, extraocular muscles, parotid gland and buccal area.

Detection of pesticides in popular medicinal herbs: a modified QuEChERS and gas chromatography-mass spectrometry based approach.

Although a lot of work has been conducted in the pesticide residues analysis in food matrices but the quality determination (with respect to major contaminants such as pesticide residues) in medicinal plant matrices has a long way to go. Hence a study was conducted to determine pesticide residues in four medicinal herbs, which are highly traded commodities in international market. Samples were extracted and cleaned up by modified QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe) approach and analyzed by gas chromatograph-mass spectrometer (GC-MS). The method was subjected to thorough validation procedure in-terms of accuracy, precision, limits of quantification (LOQ), matrix effect, linearity and uncertainty analysis. The mean recoveries for most of the pesticides were in the range of 70-120% with RSD <20% and measurement uncertainties were less than 20% for all the compounds at spiking level of 0.5 mg kg-1 in all the matrices. The limits of quantification (LOQ) ranged from 0.01 to 0.069 mg kg-1. The proposed method was successfully applied to determine pesticide residues in 52 commercial market samples obtained from different locations in India.

Validation of a QuEChERS-based gas chromatographic method for analysis of pesticide residues in Cassia angustifolia (senna).

A simple multi-residue method based on modified QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe) approach was established for the determination of 17 organochlorine (OC), 15 organophosphorous (OP) and 7 synthetic pyrethroid (SP) pesticides in an economically important medicinal plant of India, Senna (Cassia angustifolia), by gas chromatography coupled to electron capture and flame thermionic detectors (GC/ECD/FTD) and confirmation of residues was done on gas chromatograph coupled with mass spectrometry (GC-MS). The developed method was validated by testing the following parameters: linearity, limit of detection (LOD), limit of quantification (LOQ), matrix effect, accuracy-precision and measurement uncertainty; the validation study clearly demonstrated the suitability of the method for its intended application. All pesticides showed good linearity in the range 0.01-1.0 µg mL(-1) for OCs and OPs and 0.05-2.5 µg mL(-1) for SPs with correlation coefficients higher than 0.98. The method gave good recoveries for most of the pesticides (70-120%) with intra-day and inter-day precision < 20% in most of the cases. The limits of detection varied from 0.003 to 0.03 mg kg(-1), and the LOQs were determined as 0.01-0.049 mg kg(-1). The expanded uncertainties were <30%, which was distinctively less than a maximum default value of ±50%. The proposed method was successfully applied to determine pesticide residues in 12 commercial market samples obtained from different locations in India.

Simultaneous removal of pesticides from water by rice husk ash: batch and column studies.

The present study evaluated rice husk ash (RHA) as an adsorbent for simultaneous removal of a mixture of seven different pesticides (alachlor, metolachlor, chlorpyriphos, fipronil, α-endosulfan, ß-endosulfan, and p,p'-DDT) and two metabolites (p,p'-DDE and endosulfan sulfate) from water. The adsorbent RHA was prepared in the laboratory and characterized by techniques such as X-ray diffraction spectroscopy, Fourier transform infrared spectroscopy, and scanning electron microscopy/energy-dispersive X-ray spectrometry. Adsorption kinetics were well described by the pseudo-second-order kinetic model. The Freundlich isotherm model fitted the equilibrium data better than the Langmuir model, and the maximum sorption capacity varied from 0.078 to 0.166 mg/g. The column elution studies showed that 10 L of mixed pesticide-contaminated water (0.05 mg/L) can be treated with only 10 g of RHA at a removal efficiency of 90%. The results implied that RHA can be used as a low-cost, easily available, and efficient adsorbent for the simultaneous removal of pesticides from contaminated water.

Simultaneous removal of multiple pesticides from water: effect of organically modified clays as coagulant aid and adsorbent in coagulation-flocculation process.

Contamination of drinking water sources with agrochemical residues became a major concern in the twenty-first century. Coagulation-flocculation is the most widely used water-treatment process, but the efficiency to remove pesticides and other organic pollutants are limited compared to adsorption process. Thus, simultaneous action of adsorption on normal bentonite or organo-modified montmorillonite clays [modified with octadecylamine (ODA-M) and octadecylamine + amino-propyltriethoxysilane (ODAAPS-M)] followed by coagulation-flocculation by alum and poly aluminium chloride has been evaluated for removal of 10 different pesticides, namely atrazine, lindane, metribuzin, aldrin, chlorpyriphos, pendimethalin, alpha-endosulphan, beta-endosulphan, p,p'-DDT, cypermethrin and two of its metabolites, endosulphan sulphate and p,p'-DDE, from water. The coagulation without integration of adsorption was less effective (removal % varies from 12 to 49) than the adsorption-coagulation integrated system (removal % varies from 71 to 100). Further, coagulation integrated with adsorption was more effective when organically modified montmorillonite was used as adsorbent compared to normal bentonite. The removal efficiency of organic clay depends upon the concentration of pesticides, doses of clay minerals, and efficiency was more for ODAAPS-M as compared to ODA-M. The combination of ODAAPS-M-clay with coagulants was also used efficiently for the removal of pesticides from natural and fortified natural water collected and the results exhibit the usefulness of this remediation technique for application in water decontamination and in treatment of industrial and agricultural waste waters.

Removal of mixed pesticides from aqueous solutions using organoclays: evaluation of equilibrium and kinetic model.

Removal of mixed pesticides, namely alachlor, metolachlor, chlorpyriphos, fipronil, α-endosulfan, ß-endosulfan, p,p'-DDT and two metabolites p,p'-DDE and endosulfan sulphate from aqueous solution by batch adsorption onto three commercial organo-modified montmorillonite clays [modified with octadecylamine (ODA-M), modified with dimethyl- dialkylamine (DMDA-M) and modified with octadecylamine and aminopropyltriethoxysilane (ODAAPS-M)] were investigated. Effect of process variables, mainly contact time and initial concentration of mixed pesticides, on adsorption phenomenon were evaluated. To understand the adsorption kinetic pseudo-first-order and pseudo-second-order models were tested. The pseudo-second-order model provided the best fit for explaining adsorption kinetics, on the basis of high correlation coefficient (r) and normalized percent deviation values. The adsorption equilibrium was explained by the Freundlich isotherm (r = 0.951-0.992). High values (0.17-0.52 mg g⁻¹) of Freundlich constant (K(f)) indicated higher affinity of pesticides towards all three organoclays, as a result of hydrophobic interaction between the adsorbent/adsorbate systems. Pesticides with high octanol-water partition coefficient (K(ow)) and low water solubility showed faster adsorption with higher K(f) values as compared to the pesticides with low K(ow) and high water solubility. The order of organoclays for removal efficiency of mixed pesticide was ODAAPS-M > DMDA-M > ODA-M. These findings may find application to decontaminate or treat mixed pesticide contaminated industrial/agricultural waste waters.

Fe Doped CdTeS Magnetic Quantum Dots for Bioimaging.

A facile synthesis of 3-6 nm, water dispersible, near-infrared (NIR) emitting, quantum dots (QDs) magnetically doped with Fe is presented. Doping of alloyed CdTeS nanocrystals with Fe was achieved in situ using a simple hydrothermal method. The magnetic quantum dots (MQDs) were capped with NAcetyl-Cysteine (NAC) ligands, containing thiol and carboxylic acid functional groups to provide stable aqueous dispersion. The optical and magnetic properties of the Fe doped MQDs were characterized using several techniques. The synthesized MQDs are tuned to emit in the Vis-NIR (530-738 nm) wavelength regime and have high quantum yields (67.5-10%). NIR emitting (738 nm) MQDs having 5.6 atomic% Fe content exhibited saturation magnetization of 85 emu/gm[Fe] at room temperature. Proton transverse relaxivity of the Fe doped MQDs (738 nm) at 4.7 T was determined to be 3.6 mM-1s-1. The functional evaluation of NIR MQDs has been demonstrated using phantom and in vitro studies. These water dispersible, NIR emitting and MR contrast producing Fe doped CdTeS MQDs, in unagglomerated form, have the potential to act as multimodal contrast agents for tracking live cells.