27 research outputs found

    Anti-fibrinolytic activity, electron delocalization, vibrational spectra, drug - likeness properties and bio-activity studies on Anagrelide

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    DFT-based quantum mechanical calculations, electron behaviour, biological properties of the Anagrelide with an IUPAC name of (6,7-dichloro-3,5-dihydro-1H-Imidazo[2,1,-b]quinazolin-2-one) is probed using Gaussian 09 W and Gauss View 6 programs, with B3LYP / 6–311++ G (d, p) basis set. The optimized geometrical properties and structure were tabulated and modelled. A systematic approach has been adopted for FTIR and Raman spectroscopic studies and its vibrational PED% assignments, with the help of VEDA software, were employed. NLO properties and its calculations in gas phase, and four sets of green solvents were calculated. Simulated UV spectroscopy analysis was explored using the TD-DFT with the IEFPCM model, and spectrum was made using the help of Gauss-sum. Since there is a correlation between the energy of the FMOs and their optical properties, those orbitals were mapped, and ΔEHomo-Lumo (ΔE) values were evaluated. NBO analysis has been employed to examine the stability, resulting from its intra-molecular and intermolecular hyper conjugative interactions owing to charge delocalization. Mulliken's charges distribution of the title molecule was computed to look at their electrophilic and nucleophilic activities. Analyses of the MESP were carried out for various solvents. Anagrelide was theoretically subjected to an explicit topological surface analysis using the wavefunction analyzer and multiwfn software to look at the compound's reactivity and wave functional properties LOL, and ELF. In order to study the biological activity as an anticoagulant, a platelet aggregation inhibitor, and a vasodilator, Anagrelide was utilized as a ligand with several target proteins in molecular docking and Drug-likeliness. The outcomes of molecular docking experiments proved the ligand's potency as an antifibrinolytic medication

    A Scale to Measure the Attitude of Cotton Growers towards Weather Based Agro-Advisory Services in Telangana and Andhra Pradesh States

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    In this modern era, climate change is the most severe challenge experienced in the field of agriculture. To become climate smart, farmers should be equipped well with weather forecast information in prior to do farm operations. Hence, this study represents the construction of an attitude scale to understand the attitude of farmers towards weather based agro-advisory services. Keeping this in view, an attempt has been made to develop a scale for measuring the attitude of farmers towards weather based agro-advisory services in cotton cultivation. Likert’s method of summated rating technique was adopted to construct the scale. Based on the available literature and expert’s opinion, 40 statements were developed. After editing as per informal criteria, 33 statements were subjected to item analysis among the farmers of non-sample area. Out of which, 30 statements were retained in the developed attitude scale based on the highest ‘t’ value. The ‘r’ (correlation coefficient) value was found to be 0.852 which represents significant at 1 per cent level and the reliability and validity of the constructed scale were found appropriate to measure the attitude of cotton farmers towards weather based agro-advisory services
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