CeAlPO-5分子筛催化剂上二苯基甲烷选择性氧化生成二苯甲酮(英文)

Selective oxidation of diphenylmethane to benzophenone requires active and selective catalysts. The framework incorporation of cerium in AlPO-5 molecular sieves creates active cerium sites in isolation. These active sites are responsible for selective oxidation. Cerium incorporated AlPO-5 with different Al/Ce ratios were synthesized, and the vapor phase oxidation of diphenylmethane in air over these catalysts was studied at 250, 275, 300, 325, and 350 °C. The diphenylmethane conversion and selectivity for benzophenone were more than 90%. CeAlPO-5(25) was found to be more active than other catalysts. The stability of the catalyst was verified by the time on stream study which indicated steady diphenylmethane conversion and benzophenone selectivity. Hence framework incorporated CeAlPO-5 molecular sieves are stable and active catalysts for the selective oxidation of diphenylmethane.     

Thermal and optical properties of ZTS single crystals in the presence of 1,10-phenanthroline (Phen)

The influence of heteroaromatic N-base (1,10-phenanthroline) (Phen), a new additive as complexing agent on tris(thiourea)zinc(II)sulphate (ZTS) crystals from aqueous solutions at 30 °C is investigated. Crystals were grown using low concentration of the dopant (0.005 M L^?1) in the aqueous growth medium and the growth promoting effect (GPE) is much greater because of an increase in the metastable zone width. High dopant concentration decreases GPE. The crystalline perfection of the grown crystals is quite good both in doped and undoped crystals as evaluated by high-resolution X-ray diffractometry (HRXRD). The diffraction curve of a typical Phen doped as-grown ZTS crystal was observed to contain a single peak indicating that the crystal does not contain any epitaxial layer on the surface or internal structural grain boundaries. Not much variation is observed in FT-IR and XRD of pure and doped ZTS. Phen depresses the NLO efficiency of ZTS. It could be ascribed due to the disturbance of charge transfer in the presence of the dopant. The grown crystals were also characterized by UV–Vis, SEM and TG–DTA techniques.     

Effect of zinc(II) doping on thermal and optical properties of potassium hydrogen phthalate (KHP) crystals

The influence of doping the transition metal Zn(II) on potassium hydrogen phthalate (KHP) crystals has been studied. A close observation of FT-IR and XRD profiles of doped and undoped samples reveals some minor structural variations. It appears that the crystal undergoes considerable lattice stress as a result of doping the bivalent zinc. Furthermore, the possibility of cation vacancies aroused owing to the substitution of K¹⁺ by Zn²⁺ could result in a defective crystal system. Energy dispersive spectra reveal the incorporation of Zn(II) in the crystalline matrix of KHP crystals. Differential scanning calorimetry (DSC) and TG-DTA studies reveal the purity of the sample and no decomposition is observed below the melting point. Small quantity additions of Zn(II) enhance the fluorescence intensity of KHP crystals. The doping results in morphological changes and significantly improves the second harmonic generation (SHG) efficiency of the host crystal.     

Effect of pyridine as a ligand in precursor on morphology of CdS nanoparticles

[Cd(thqdtc)₂], [Cd(thqdtc)₂(py)] and [Cd(thqdtc)₂(2,2′-bipy)] (where thqdtc = 1,2,3,4-tetrahydroquinolinecarbodithioate; py = pyridine; 2,2′-bipy = 2,2′-bipyridine) have been found to be effective single source precursors for the preparation of diethylenetriamine capped CdS nanoparticles via solvothermal method. Flower-like and rod-like CdS nanoparticles were prepared at a relatively low temperature by thermolysis of the precursors using chelating solvent diethylenetriamine. Use of [Cd(thqdtc)₂] and [Cd(thqdtc)₂(2,2′-bipy)] afforded rod-shaped nanoparticles and flower-like nanoparticles obtained from [Cd(thqdtc)₂(py)]. UV–Visible spectroscopy established pronounced quantum confinement effect. X-ray diffraction (XRD) analysis revealed hexagonal crystal phase for so obtained CdS nanoparticles. The nanoparticles were also characterized by transmission electron microscopy (TEM) and fluorescence spectroscopy.     

Synthesis,Crystal Structure and NLO Properties of a Mixed Crystal K<Subscript>1−x</Subscript>(NH<Subscript>4</Subscript>)<Subscript>x</Subscript>H<Subscript>2</Subscript>PO<Subscript>4</Subscript> (x = 0.5)

Abstract  

A new mixed crystal K_1−x(NH₄)_xH₂PO₄ (KADP) of ammonium dihydrogen phosphate (ADP) of ADP–KCl system has been synthesized with x = 0.5 by slow evaporation of the mixture of equimolar aqueous solution at room temperature. Crystal composition determined by single crystal X-ray diffraction analysis reveals that it belongs to the tetragonal system with noncentrosymmetric space group I-42d and it is structurally similar to ADP crystals with the following parameters: a = 7.418(3) ?; c = 7.2284(6) ?; v = 404.63(4) ?³; z = 4. The substitution results in defect centers which influence the physical properties. Mixed crystal has a superior NLO activity, twice that of KH₂PO₄ (KDP), a well known NLO material and the enhanced NLO activity is rationalized. The structural analysis of KADP and the influence of partial cationic substitution in ADP by K⁺ ions on the NLO properties are reported.     

On short wave stability and sufficient conditions for stability in the extended Rayleigh problem of hydrodynamic stability

We consider the extended Rayleigh problem of hydrodynamic stability dealing with the stability of inviscid homogeneous shear flows in sea straits of arbitrary cross section. We prove a short wave stability result, namely, if k > 0 is the wave number of a normal mode then k > k _c (for some critical wave number k _c) implies the stability of the mode for a class of basic flows. Furthermore, if $ K(z) = \frac{{ - (U'_0 - T_0 U'_0 )}} {{U_0 - U_{0s} }} $ K(z) = \frac{{ - (U'_0 - T_0 U'_0 )}} {{U_0 - U_{0s} }} , where U ₀ is the basic velocity, T ₀ (a constant) the topography and prime denotes differentiation with respect to vertical coordinate z then we prove that a sufficient condition for the stability of basic flow is $ 0 < K(z) \leqslant \left( {\frac{{\pi ^2 }} {{D^2 }} + \frac{{T_0^2 }} {4}} \right) $ 0 < K(z) \leqslant \left( {\frac{{\pi ^2 }} {{D^2 }} + \frac{{T_0^2 }} {4}} \right) , where the flow domain is 0 ≤ z ≤ D.     

Synthesis, crystal growth and characterization of 1,5-diphenylpenta-1,4-dien-3-one: An organic crystal

1,5-Diphenylpenta-1,4-dien-3-one ( dibenzalacetone, DBA) was synthesized by a base-catalyzed aldol condensation reaction between benzaldehyde and acetone. High quality single crystals have been grown by the slow evaporation of ethanol solution and the crystal belongs to monoclinic system with centrosymmetric space group C 2/c. The DBA crystals are transparent in the entire visible region and have a lower optical cutoff at ∼440 nm. It is stable up to 119 °C and has a good chemical stability. The high resolution X-ray diffraction curve (DC) indicates that the specimen is free from structural grain boundaries. Molecular packing leads to a centrosymmetric arrangement resulting in zero second harmonic generation (SHG; χ⁽²⁾=0) efficiency.     

In silico based virtual screening and mixed mode QM/MM calculation identifies caffeine scaffold for designing potential inhibitors for tyrosyl tRNA synthetase of Mycobacterium tuberculosis

Aminoacyl tRNA synthetases are novel antibacterial drug target because of their important role in protein synthesis. In this study, we performed high throughput virtual screening of 205883 compounds from Asinex ligand database to identify potential specific inhibitors for Tyrosyl tRNA synthetase of Mycobacterium tuberculosis (MtbTyrRS). Compounds are ranked based on the glide extra precision docking score. It is noted that the top ranked compounds have caffeine scaffold. The top five caffeine analogs are further evaluated for other drug‐like properties. The binding energies of caffeine analogs are estimated using mixed mode quantum mechanics/molecular mechanics calculation. The results show that these caffeine analogs have good absorption, distribution, metabolism, and excretion properties and high binding affinity to the MtbTyrRS. This suggests that caffeine could be a new scaffold for designing inhibitors against Tyrosyl tRNA synthetase of M. tuberculosis. The top five caffeine analogs are also subjected to docking calculations with human cytosolic and mitochondrial Tyrosyl tRNA synthetases to ascertain their specificities toward MtbTyrRS. The comparative docking studies indicate that the top five caffeine analogs are specific for MtbTyrRS. © 2014 Wiley Periodicals, Inc.     

Genotypic Diversity of Mosquitocidal Bacteria (Bacillus sphaericus, B. thuringiensis, and B. cereus) Newly Isolated from Natural Sources

In the present study, to comprehend the genetic diversity of mosquitocidal bacteria, the genotypic analysis of 30 strains of Bacillus species isolated newly from diverse environmental sources has been conducted. Randomly amplified polymorphic DNA polymerase chain reaction was conducted to characterize the genotype diversity between the bacterial strains. The matrix of scores from each bacterial DNA was analyzed, and the correlation between the co-efficients and the similarity matrix data was computed. Clusters from dendrogram showing diversity among isolates could be distinguished genetically based on their origin of isolates. The first major cluster consists of 43 strains grouped under various subclusters (91.489 %). A second cluster contains only four strains (8.511 %). An average similarity value of 0.36 revealed the dendrogram split into 28 distinct “groups” or “clusters,” allowing almost a complete separation of strains within the Bacillus group isolated from various sources and thus facilitating assessment of genetic diversity of species and subspecies level. The conclusion from the result was that there was broad diversity among the mosquitocidal strains, and cluster analysis revealed the associations among the isolates based on their origin. A high level of polymorphism with distinct genetic lineages consequent to the source of origin of bacterial strains is the significant impact of this study.