Synthesis and antibacterial activity of some 5-hydroxy-5-trifluoromethyl-4,5-dihydropyrazol-1-thiocarboxamides, 3-trifluoromethylpyrazol-1-thiocarboxamides and 4-aryl-2-(5(3)-trifluoromethyl-1-pyrazolyl)thiazoles

5-Hydroxy-5-trifluoromethyl-4,5-dihydropyrazol-1-thiocarboxamides 3 and 3-trifluoromethylpyrazol-1-thiocarboxamides 4, regioselectively obtained by the condensation of trifluoromethyl-β-diketones with thiosemicarbazide under neutral and acidic conditions, on further reaction with phenacyl bromides 5 afforded 4-aryl-(5-trifluoromethyl-pyrazol-1-yl)thiazoles 6 and 4-aryl-(3-trifluoromethyl-pyrazol-1-yl)thiazoles 7, respectively. Five 4,5-dihydropyrazoles (3a–e) and two pyrazolylthiazoles (6a and 6c) were tested against one Gram-positive and one Gram-negative bacteria to assess their in vitro antibacterial activity. Compounds 3a, 3b and 3e showed moderate antibacterial activity against Gram-positive bacterium, Bacillus pumilus.     

Activities of Hydrolases and Oxidases as Influenced by the Application of Monocrotophos in Sandy Loam Soil of Rajasthan

Continuous and repeated use of pesticides affects soil microbial flora and fauna and hence indirectly affects the activity of diverse microbial enzymes present within it. The present study investigates the interaction effect of different concentrations of monocrotophos on diverse hydrolases and oxidases, viz., protease, alkaline phosphatase, acid phosphatase, cellulase, amylase, invertase, arginine deaminase, and dehydrogenase, present in sandy loam soil of Rajasthan under in vitro conditions for 30 days. Soil sample was inoculated with three different concentrations of monocrotophos, viz., 50, 100, and 150 μg kg^-1, and incubated in dark at room temperature. At regular interval of 5 days, sample was withdrawn and enzyme activity was calculated and compared with that of control. Application of various concentrations of monocrotophos enhanced the activity of diverse enzymes present in soil. Therefore, the study revealed synergistic or additive effect of monocrotophos on all the tested microbial enzyme entities. Increasing concentration of the pesticide, however, poses an antagonistic interaction on the increment of different enzymes activities. Therefore, it can be concluded from the study that monocrotophos impose a positive effect at low concentration of pesticide, whereas high concentration poses negative effect on the activity of different enzymes present in soil.     

Striking Differences in Properties of Geometric Isomers of [Ir(tpy)(ppy)H]+: Experimental and Computational Studies of their Hydricities,Interaction with CO2, and Photochemistry

We prepared two geometric isomers of [Ir(tpy)(ppy)H]⁺, previously proposed as a key intermediate in the photochemical reduction of CO₂ to CO, and characterized their notably different ground‐ and excited‐state interactions with CO₂ and their hydricities using experimental and computational methods. Only one isomer, C‐trans‐[Ir(tpy)(ppy)H]⁺, reacts with CO₂ to generate the formato complex in the ground state, consistent with its calculated hydricity. Under photocatalytic conditions in CH₃CN/TEOA, a common reactive C‐trans‐[Ir(tpy)(ppy)]⁰ species, irrespective of the starting isomer or monodentate ligand (such as hydride or Cl), reacts with CO₂ and produces CO with the same catalytic efficiency.     

Elemental analysis of brahmi (<Emphasis Type="Italic">Bacopa</Emphasis> <Emphasis Type="Italic">monnieri</Emphasis>) extracts by neutron activation and its bioassay for antioxidant,radio protective and anti-lipid peroxidation activity

Brahmi (Bacopa monnieri) leaves, known as nervine tonic in Ayurveda, and its aqueous (BA), methanolic (BM) and aqueous–methanolic (BAM) extracts were analyzed for 7 minor (Al, Fe, Na, K, Ca, P, Cl) and 18 trace (As, Au, Ba, Br, Co, Cr, Cu, Hf, Hg, La, Mn, Rb, Se, Sm, Sr, Th, V, Zn) elements by INAA. BAM extract showed maximum contents of Na, K, Cl and significant amounts of Mn, Co, Zn. It was also found as effective scavenger of DPPH radicals with 33.5% total phenolic content, highest γ-ray radioprotective effect and higher anti lipid peroxidation activity.     

Synthesis and anion binding of 2-arylazo-meso-octamethylcalix[4]pyrroles

2-Arylazo-5,5,10,10,15,15,20,20-octamethylcalix[4]pyrroles (azo-OMCPs) have been synthesised by the reaction of calix[4]pyrrole with aryldiazonium chloride in 15–45% yields. The solution-state binding studies of the synthesised hosts were investigated by absorption spectroscopy and ¹H NMR in DMSO and CDCl₃, respectively. These receptors, appended with electron-donating and electron-withdrawing groups, displayed enhanced affinity and selectivity for fluoride anion. Well-defined colour change in the visible region of the spectrum was observed upon addition of fluoride ion in DMSO solution of azo-OMCPs. Detailed NMR studies in CDCl₃ revealed that azo-OMCPs with nitro and chloro groups have higher binding affinity for fluoride ion.

     

Adsorption and Equilibrium Isotherm Study of Removal of Copper (II) Ions from Aqueous Solution by Chemically Modified Abelmoschus esculentus Fibers

The present study explores surface modification of Abelmoschus esculentus by graft copolymerization reaction using acrylonitrile as a monomer and ascorbic acid/H₂O₂ as a redox initiator. Further, polyacrylonitrile grafted fibers were treated with hydroxylamine to convert the nitrile group of the grafted fiber into the amidoxime group to enhance adsorption of copper ions from wastewater. The graft copolymers and amidoximated fibers were characterized by FT-IR and FE-SEM. The effects of physicochemical parameters such as pH of the solution, initial metal ion concentration, and time on Cu(II) adsorption were studied to optimize condition for maximum adsorption. In addition, Langmuir, Freundlich, and Tempkin models were applied to describe the adsorption isotherm of Cu²⁺ ions.     

Metal‐Free Triplet Phosphors with High Emission Efficiency and High Tunability

Design of highly efficient phosphorescent emitters based on metal‐ and heavy atom‐free boron compounds has been demonstrated by taking advantage of the singlet fission process. The combination of a suitable molecular scaffold and appropriate electronic nature of the substituents has been utilized to tailor the phosphorescence emission properties in solution, neat solid, and in doped PMMA thin films.     

On-line high-performance liquid chromatography–ultraviolet–nuclear magnetic resonance method of the markers of nerve agents for verification of the Chemical Weapons Convention

This paper details an on-flow liquid chromatography–ultraviolet–nuclear magnetic resonance (LC–UV–NMR) method for the retrospective detection and identification of alkyl alkylphosphonic acids (AAPAs) and alkylphosphonic acids (APAs), the markers of the toxic nerve agents for verification of the Chemical Weapons Convention (CWC). Initially, the LC–UV–NMR parameters were optimized for benzyl derivatives of the APAs and AAPAs. The optimized parameters include stationary phase C₁₈, mobile phase methanol:water 78:22 (v/v), UV detection at 268 nm and ¹H NMR acquisition conditions. The protocol described herein allowed the detection of analytes through acquisition of high quality NMR spectra from the aqueous solution of the APAs and AAPAs with high concentrations of interfering background chemicals which have been removed by preceding sample preparation. The reported standard deviation for the quantification is related to the UV detector which showed relative standard deviations (RSDs) for quantification within ±1.1%, while lower limit of detection upto 16 μg (in μg absolute) for the NMR detector. Finally the developed LC–UV–NMR method was applied to identify the APAs and AAPAs in real water samples, consequent to solid phase extraction and derivatization. The method is fast (total experiment time ∼2 h), sensitive, rugged and efficient.