Molprint 2D-Based Identification and Synthesis of Novel Chromene Based Small Molecules that Target Pla2: Validation through Chemo-And Bioinformatics Approaches

Phospholipase A2 (PLA2) is known to regulate inflammation and hence it is considered as a validated drug-target by medicinal chemists. In this report, we have identified and considered a highly ranked ligand from the ZINC-drug-like compounds database that targets PLA2 via the MOLPRINT-2D based chemoinformatics drug-design approach. The computationally predicted lead molecule was found to contain a core moiety of a chromene ring, which is well known for its varied biological properties. Here, a novel and efficient retro-synthetic protocol for the synthesis of highly substituted chromene libraries was made. A one-pot synthesis of chromene was carried out using different aromatic primary alcohols, malononitrile and 4-hydroxy coumarin in the presence of a mild oxidant mixture called T3P®–DMSO, followed by a Suzuki coupling reaction to obtain the lead molecules. All of the tested compounds of the chromene series displayed inhibition of the venom PLA2 in the range of 12 to 68 μM. Among the tested compounds, 2-amino-4-(2′-methyl-[1,1′-biphenyl]-4-yl)-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile (7b) showed maximum inhibitory efficacy against venom PLA2 with an IC50 value of 12.5 μM. Furthermore, the designed PLA2 ligands bound to the active site of venom PLA2, whose binding affinity was comparable to nimesulide, indicating that the chromene moiety containing ligands could be novel lead-structures that serve as anti-inflammatory agents

Design, development and characterization of variable reluctance ferrofluid pump

The objective of this paper is to design and implement a ferrofluid pump actuated by switched magnetic field. The pump works on the principle of variable reluctance behavior of ferrofluid in an external magnetic field. A brief experiment to understand dynamic nature of magnetic flux density in a ferrofluid column is conducted. Variable reluctance phenomenon in the ferrofluid column is analyzed. Design and implementation details of two different structures of ferrofluid pump are discussed, namely single phase pump and two phase pump. Equivalent electrical circuit models of the pumps are developed based on hydraulic-electric analogy. Simulations and experiments are conducted and the results are compared. The designed pump is capable of pumping the ferrofluid at a rate of 84 A mu l/s with zero discharge head and a maximum flow rate of 56 A mu l/s is achieved with a discharge head of 120 mm

Experimental Evidence for the Carrier Transportation Enhanced Visible Light Driven Photocatalytic Process in Bismuth Ferrite (BiFeO₃) One-Dimensional Fiber Nanostructures

The effective carrier transportation schemes in one-dimensional (1D) nanofibers of bismuth ferrite (BFO) have been experimentally demonstrated in comparison with their 3D particulate nanostructures. The structural analysis using X-ray diffraction technique revealed the rhombohedral crystal structure with <i>R</i>3<i>c</i> space group of BiFeO₃ particulate and fiber nanostructures. The influences of dimension on the optical properties are analyzed using UV–visible absorption/diffuse reflectance spectroscopy, where the band gap energy is found to be increased for fibers (∼2.39 eV) as compared to the particulates (∼2.32 eV). The photoluminescence (PL) spectroscopy analysis indicated a reduced radiative-emission in BFO fibers that could be attributed to the slower recombination of excited electron–hole pairs in fibers as compared to particulates, which is also experimentally confirmed by estimating their fluorescence lifetime measurements. The room temperature photocurrent conductivity measurements showed an enhanced photocurrent for the fibers, which revealed that the transportation of charge carriers is improved in fibers due to the delocalization of electrons in its conduction band and subsequent delayed recombination owing to the 1D confinement. The photocatalytic efficiency on the degradation of organic dyes (methylene blue and rhodamine B) under the simulated solar light irradiation showed an enhanced degradation rate for BFO fibers as compared to particulates. This could be attributed to the observed modifications in band energy structures and enhanced photocurrent conductivity of the fibers. Further, the effective carrier transportation-induced photocatalytic reactions that resulted from the increased number of *OH radicals is also probed by PL spectroscopy using terephthalic acid as a probing molecule

Not Available

Not AvailableThe investigation was carried out to know prevalence of Leptospira serovar Hardjo in organised cattle dairy farms of India by using the commercial Leptospira Bovine Hardjo ELISA kit. Cattle serum samples (964) collected from different organized farm in various states, viz. Maharastra, Gurajat, Punjab, Tamil Nadu, Haryana, Telangana, Jharkhand, Chhattisgarh and Karnataka, were tested. The overall seroprevalence of 12.7% was observed with high prevalence of 30.4% in Maharashtra and least with 3.7% in Punjab. The results revealed that seroprevalance is not independent across the states for the samples with the history of abortion/reproductive/respiratory disorders (χ², 11.64), abortion/reproductive (χ², 49.11), abortion/respiratory (χ², 11.21) and apparently healthy animals (χ², 37.65). However, across the disease history revealed that the seroprevalence is not independent (χ², 95.62) and seroprevalence is independent across the age (χ², 0.58). This study supported that cattle have a role in maintaining a well-known reservoir for Leptospira Hardjo serovar and warrants an intensive control and surveillance programme for reducing leptospirosis in organised cattle dairy farms in India. © 2016, Indian Council of Agricultural Research. All rights reserved.Not Availabl

N′-[(1E)-4-Hydroxy-3-Methoxybenzylidene]isonicotinohydrazide Monohydrate

In the title hydrate, C\sb 14H\sb 13N\sb 3O\sb 3⋅H\sb 2O, the dihedral angle between the pyridine and benzene rings is 2.52(9)\circ. Intra\-molecular O—-H⋅sO hydrogen bonds occur. In the crystal, O—-H⋅sO, O—-H⋅sN, N—-H⋅sO and C—-H⋅sO hydrogen bonds link the components into a three-dimensional network. π—π inter\-actions are also observed

Low cost fabrication of polymer composite (h-ZnO plus PDMS) material for piezoelectric device application

Flexible piezoelectric composites offer alternative and/or additional solutions to sensor, actuator and transducer applications. Here in this work, we have successfully fabricated highly flexible piezoelectric composites with poly dimethyl siloxane (PDMS) using herbal zinc oxide (h-ZnO) as filler having weight fractions up to 50 wt.% by solution casting of dispersions of h-ZnO in PDMS. Excellent piezo properties (Resonant frequency 935 Hz, d(33)* 29.76 pm V-1), physiochemical properties (Wurtzite structure ZnO, 380 nm absorbance) and mechanical properties (Young modulus 16.9 MPa) have been optimized with theoretical simulations and observed experimentally for h-ZnO + PDMS. As such, the demonstrated piezoelectric PDMS membranes combined with the excellent properties of these composites open new ways to 'soft touch' applications and could serve as a variety of soft and sensitive electromechanical transducers, which are desired for a variety of sensor and energy harvesting applications