Study of parameters of CSR-2 cocoon reared with V1 mulberry leaves irrigated by spentwash

CSR-2 silkworm reared with V1 variety of mulberry plants irrigated by raw water,50% PTSW and 33% PTSW. The different parameters such as raw silk (%), filamentlength (m), reelability (%), denier and shell ratio were determined at the maturity ofcocoons. It was found that the parameters werebetter in cocoon irrigated with 33%PTSWcompared to 50%PTSW and raw water irrigations. This concludes that the mulberryplants irrigated with 33%PTSW is enriched with more nutrients for the potential growthof mulberry plants which results in the potential cocoons

Sprouting and Growth studies of Rose (Rosa) and Hibiscus (Hibiscus rosasinenis) flowering plants irrigated by distillery spentwash

Sprouting and growth of Rose (Rosa) and Hibiscus (Hibiscus rosasinenis) flowering plants was made by irrigated with distillery spentwash of different concentrations. Thespentwash i.e., primary treated spentwash (PTSW), 1:1, 1:2, and 1:3 spent wash were analyzedfor their plant nutrients such as nitrogen, phosphorous, potassium and other physical andchemical characteristics. Experimental soil was tested for its chemical and physical parameters.Rose and Hibiscus sets were planted in different pots and irrigated with raw water (RW), 1:1,1:2 and 1:3 spentwash. The nature of sprouting and growth was studied. It was found that thesprouting and growth of both plants was very good (100%) in 1:3 SW irrigation, while very poor(25%) in 1:1 SW, moderate (80%) in 1:2 SW and 95% in RW irrigation growth

Halogen and solvent effects on the conformational, vibrational and electronic properties of 1,4-diformylpiperazine: A combined experimental and DFT study

The molecular structure and properties of 1,4-diformylpiperazine (1,4-dfp, C6H10N 2 O 2 ) were investigated by Fourier transform infrared (FT-IR) spectroscopy, Raman spectroscopy and density functional theory (DFT). The Becke-3-Lee-Yang-Parr (B3LYP) functional was used with the 6-31++G(d,p) basis set. Total energy distribution (TED) analysis of normal modes was performed to identify characteristic frequencies by the scaled quantum mechanical (SQM) method. Halogeno-Analogs of 1,4-dfp were studied to understand the halogen effect. Computations were focused on five conformational isomers of the compounds in the gas phase and in solutions. The computed and experimental frequencies of the C=O stretching vibration of 1,4-dfp were correlated with the empirical solvent parameters such as the Kirkwood-Bauer-Magat (KBM) equation, the solvent acceptor number (AN), Swain parameters and linear solvation energy relationships (LSER). The electronic properties of the compounds were also examined. The findings from the present work may be useful to understand systems involving the halogens and conformational changes analogous to the compounds investigated. © 2015 World Scientific Publishing Company

Crystallographic, vibrational and DFT studies of 1-(2-hydroxy-4,5-dimethylphenyl)ethanone

PubMed ID: 25989614Molecular structure and properties of 1-(2-hydroxy-4,5-dimethylphenyl)ethanone were experimentally investigated by X-ray diffraction technique and vibrational spectroscopy. Experimental results on the molecular structure of the reported compound were supported with computational studies using the density functional theory (DFT), with the Becke-3-Lee-Yang-Parr (B3LYP) functional and the 6-311+G(3df,p) basis set. Potential energy distribution (PED) and potential energy surface (PES) analyses were performed to identify characteristic frequencies and reliable conformational analysis correspondingly. The compound crystallizes in monoclinic space group C2/c with the CO up-OH down conformation. There is a good agreement between the experimentally determined geometrical parameters and vibrational frequencies of the compound to those predicted theoretically. © 2015 Elsevier B.V. All rights reserved.Universiti Sains MalaysiaCSCK thanks to Universiti Sains Malaysia (USM) for a postdoctoral research fellowship (2012–2013). MT, CP and MŞ and MB acknowledge the facilities from Dumlupınar, Anadolu and Ege Universities, respectively. Authors are very grateful to Özge Bağlayan for support in the Raman analysis. HKF and CSCK extend their appreciation to The Deanship of Scientific Research at King Saud University for the research group project No. RGP VPP-207. Appendix A -

Structure property relationship of a new nonlinear optical organic crystal: 1-(3,4-Dimethoxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one for optical power limiting applications

A new organic potential nonlinear optical (NLO) material 1-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one (DMP3FP) is crystallized in acetone. The single crystal X-ray diffraction data shows that material crystallizes into centro-symmetric orthorhombic space group Pbca with a = 15.6552(6) Å, b = 8.5571(3) Å, c = 20.7697(7) Å. The functional groups in DMP3FP molecule are identified by Fourier Transfer Infrared (FTIR) spectra. The thermal stability and melting point are determined using thermo gravimetric analysis/differential thermal analysis (TGA/DTA). Using UV Visible spectral studies direct band gap energy of the crystal is determined to be 3.19 eV. The nonlinear absorption coefficient and optical power limiting of the crystal was studied using Z-scan technique. The crystal exhibits a self-focusing effect at a wavelength of 532 nm showing optical limiting and reverse saturable absorption by having excited state absorption coefficient greater than ground state absorption coefficient. Keywords: Nonlinear, Optical power limiting, Z-scan, Self-focusin