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Phosphorus containing steroidal derivatives such as 3β-oxo-[diazaphosphalidine-2’-one] stigmast-5-ene and 3β-oxo-[diazaphosphalidine-2’-one] stigmast-5,22-diene were designed, synthesized and characterized using spectroscopic techniques (IR, 1H, 13C & 31P NMR, HRMS) and elemental analysis. The fungicidal and herbicidal studies of the compounds were performed and the experimental outcomes showed that compound 4 showed a good fungicidal activity against mycelium growth of fungi, while in the case of herbicidal activity, both compounds show a moderate activity compared to the commercial drug; Atrazine. The binding free energy of active compound 4 to the receptor named 4-Hydroxyphenylpyruvate dioxygenase (HPPD) was calculated using the molecular docking study. The HPPD is one of the most effective targets of plants for the herbicide study.

Plant diseases are the serious threat to global food security. Many of the current antimicrobial agents for agriculture are highly toxic and non-biodegradable and cause prolonged environmental pollution. In this present research work, seed extract of corn has been used to reduce silver nitrate for the biosynthesis of silver nanoparticles (AgNPs) and to evaluate antimicrobial activity against pathogenic bacterium and fungus. The synthesised biogenic silver nanoparticles (AgNPs) were characterised by UV-Vis, FTIR, XRD, SEM, EDX, TEM and DLS. Scanning electron microscopic (SEM) and Transmission electron microscope (TEM) elicit the formation of spherical-shaped nanoparticles with an average size of 25 nm. X-ray diffraction revealed the FCC nature of nanoparticles. Biosynthetic AgNPs have been shown to be a valuable inhibitory activity against the phytopathogenic fungus Phomopsis vexans by reducing the growth of mycelium by 30–40% in potato dextrose medium. It has been concluded that corn seed extract is capable of synthesising AgNPs with antifungal activity. [ABSTRACT FROM AUTHOR]

The paper describes the combinatorial study of experimental and theoretical on organic-inorganic hybrid compound [(NH3-CH2-C(CH3)2-CH2-NH3)]2+[ZnCl4]2-. The molecular structure of the studied compound was optimized theoretically, and the quantum chemical parameters were calculated. The vibratory bands emerging in the FT-IR were accurately assigned by animated mode. Molecular properties like frontier orbitals analysis, chemical reactivity descriptors, MEP mapping, dipole moments and natural charges were calculated under the DFT using the B3LYP/6-311++G(d,p)/LanL2DZ theory level. The theoretical data are found to be in good correlation with the experimental results obtained from various physicochemical techniques. The agar diffusion methods were used to study the antimicrobial assay of the compound against pathogenic strains, namely Escherichia coli and Salmonella typhi bacteria as well as selected fungi species: Candida albicans, Aspergillus niger and Aspergillus flavus. It was observed that Zn-ionic salt compound was selective and acts as a competitive inhibitor on E. coli compared to other strains. Molecular docking simulation was carried out to predict the nature of hybrid compound in the X-ray crystal structure of receptor of E. coli (PDB ID: 1ERQ) at active site to find out the suitable binding modality. The results of the simulation acknowledged the inhibitor nature of a new an organic inorganic hybrid compound. Cytotoxicity was also assessed in terms of LD50 (lethal dose, 50%) using a brine shrimp lethality bioassay. Obtained brine shrimp lethality test results suggested that bioactive quality exists in the Zn compound which could be considered for its biological effects. [ABSTRACT FROM AUTHOR]

The present paper describes the chemical oxidative polymerization of pyrrole and methyl anthranilate, Ppy-MA, in different molar ratios in high yields. The polymerization takes place in the presence of H 2O2 and FeSO4. Subsequently, electrically conducting nanocomposites Ppy-MA/TiO The present paper describes the chemical oxidative polymerization of pyrrole and methyl anthranilate, Ppy-MA, in different molar ratios in high yields. The polymerization takes place in the presence of H2O2 and FeSO4. Subsequently, electrically conducting nanocomposites Ppy-MA/TiO The present paper describes the chemical oxidative polymerization of pyrrole and methyl anthranilate, Ppy-MA, in different molar ratios in high yields. The polymerization takes place in the presence of H2O2 and FeSO4. Subsequently, electrically conducting nanocomposites Ppy-MA/TiO The present paper describes the chemical oxidative polymerization of pyrrole and methyl anthranilate, Ppy-MA, in different molar ratios in high yields. The polymerization takes place in the presence of H2O2 and FeSO4. Subsequently, electrically conducting nanocomposites Ppy-MA/TiO2 were obtained by in situ chemical oxidative polymerization using TiO 2 nanoparticles in different molar ratios. The structure and morphology of black powdered copolymers, Ppy-MA, and their nanocomposites, Ppy-MA/TiO 2, were ascertained using Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy, transmission electron microscopy, X-ray differential, thermogravimetric analysis, and differential thermal analysis. These studies have shown that the nanocomposites, Ppy-MA/ TiO2, are thermally more stable, good electrical conductors as compared with their copolymers Ppy-MA. The copolymers Ppy-MA prepared from different monomer ratios and its nanocomposites Ppy-MA/TiO2 have been screened for their possible in vitro antibacterial activity against Staphylococcus aureus (ATCC 29213), Streptococcus mutans (ATCC 25175), Streptococcus pyogenes (MTCC 435), Staphylococcus epidermidis (MTCC 435), Bacillus cereus (MTCC 430), Corynebacterium xerosis (ATCC 373), Acetobacter bovis (Clinical isolate), Escherichia coli (ATCC 25922), Klebsiella pneumoniae (MTCC 109), Proteus vulgaris (MTCC 426), and Pseudomonas aeruginosa (MTCC 424) using ciprofloxacin and gentamicin as standard drugs. Moreover, the anthelmintic activities of copolymers Ppy-MA and its nanocomposites Ppy-MA/TiO 2 have also been estimated against the standard drug, albendazole. [ABSTRACT FROM AUTHOR]