Studies on tungstate gels

Summary The magnetic susceptibilities of certain vanadium pentoxide systems supported by kieselgur have been determined in the temperature interval 30° to 400° C. The plot of reciprocal susceptibility against temperature for all the systems studied indicates sudden deflections at temperatures which are about 150° lower than those of optimum catalytic activity. It has been suggested that these points may mark the temperatures of commencement of structural changes which may be responsible for the activity of these catalysts.

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Zusammenfassung Die magnetische Susceptibilit?t gewisser Vanadium-Pentoxyd-Systeme mit Kieselgur als Tr?ger wurden im Temperaturintervall zwischen 30 und 400° C bestimmt. Die Auftragung der reziproken Susceptibilit?t gegen die Temperatur zeigt für alle untersuchten Systeme pl?tzliche Knicke bei Temperaturen, die etwa 150° niedriger liegen als die optimale katalytische Aktivit?t. Es wird vermutet, da? diese Knickpunkte die Temperaturen des Beginns von Struktur?nderungen zeigen, die für die Aktivit?t dieser Katalysatoren verantwortlich sind.

     

β-Expectation tolerance regions for a generalized multivariate model with normal error variables

In this paper a procedure of construction of β-expectation tolerance regions in the framework of the structural method of inference has been developed. The procedure has been applied to the generalized multivariate model and the β-expectation tolerance region for this case has been constructed assuming the normal distribution for the error variables of the model.     

Level density in large spectroscopic spaces

Statistical spectroscopy methods are used to calculate level densities for one-body Hamiltonians in the space of 440 single particle states. Comparisons are made with combinatorial counting and Fermi gas model. Possibilities to arrive at a more realistic level density formula including two-body effects are discussed.     

trans-cis Photoisomerization of a photoactive yellow protein model chromophore in crystalline phase

We have studied the photoinduced trans/cis isomerization of the protonated form of p-hydroxycinnamic thiophenyl ester, a model chromophore of the photoactive yellow protein (PYP), in crystalline phase, by both fluorescence and infrared spectroscopies. The conversion from trans to cis configuration is revealed by a shift of the fluorescence peak and by inspection of the infrared maker bands. The crystal packing apparently stabilizes the cis photoproduct, suggesting different environmental effects from the solvent molecules for this model chromophore in liquid solutions or from the amino acid residues for the PYP chromophore.     

A computational modeling of the behavior of the two-dimensional reaction–diffusion Brusselator system

This paper studies a meshfree technique for the numerical solution of the two-dimensional reaction–diffusion Brusselator system along with Dirichlet and Neumann boundary conditions. Combination of collocation method using the radial basis functions (RBFs) with first order accurate forward difference approximation is employed for obtaining meshfree solution of the problem. Different types of RBFs are used for this purpose. The method is shown to converge to the only equilibrium point of the system. Performance of the proposed method is successfully tested in terms of various error norms. In the case of non-availability of exact solution, performance of the new method is compared with the results obtained from the existing methods [7] and [8]. The elementary stability analysis is established theoretically and is also supported by numerical results.     

Effect of ring substitution on synthesis of benzimidazolium salts and their silver(I) complexes: characterization,electrochemical studies and evaluation of anticancer potential

Transition Metal Chemistry - A series of bidendate 5,6-dimethyl benzimidazolium-based N-heterocyclic carbene (NHC) proligands and their silver complexes were synthesized. The synthetic approaches...     

Differential functional theory and molecular docking studies of newly synthesized carbamates

Four new carbamates (RZ1–RZ4) were synthesized from different amine moieties through reported methods. The reaction was monitored using thin layer chromatography and characterization was done using m.p., fourier‐transform infrared spectroscopy (FTIR), and X‐ray diffraction (XRD) techniques. Density functional theory (DFT) studies were carried out using Gaussian 09 software to compare the theoretical and practical parameters of the synthesized compounds. Highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) were also drawn to calculate the energy difference between orbitals. In‐vitro enzyme inhibition potential against acetylcholine esterase (AChE), butyrylcholine esterase (BChE), and protease was checked through standard protocols that suggested moderate inhibition against selected enzymes. Docking studies were also carried out, which depicted that these compounds have ability to bind on the active site of AChE and BChE.     

Unsymmetrically substituted benzimidazolium based Silver(I)-N-heterocyclic carbene complexes: Synthesis,characterization and in vitro anticancer study against human breast cancer and colon cancer

The promising biomedical applications of silver complexes stimulated the researchers to test these compounds against cancer. The present research work was designed to achieve this goal. In this work, a series of 5-methyl benzimidazole based N-Heterocyclic carbene ligands and respective silver(I) complexes were synthesized and tested on cancer cell lines to assess their anticancer activity. Unsymmetrically substituted benzimidazole was found unique in its reactivity and generation of a single product during NHC ligand formation was only possible after two successive alkylations with same alkyl halide. The corresponding Ag(I)-NHC adducts were obtained by in situ deprotonation of the NHC ligands. Synthesized compounds were characterized by various physcio-chemical and spectroscopic methods. Single crystal X-ray diffraction study of complex 7 revealed its mononuclear structure. Preliminary in vitro anticancer study of azolium salts and respective Ag(I)-NHC complexes against human breast cancer (MDA-MB-231), colon cancer (HCT-116) and normal endothelial cells (EA.hy926) cells revealed that all the compounds are more cytotoxic to cancer cells than normal cells and the complexes are relatively more potent compared to the corresponding NHC ligands. It was found that increased chain length and presence of methyl substituent on benzimidazole ring enhance the biopotency of Ag(I)-NHC complexes. The synthesized compounds were further studied for pro-apoptotic mechanism of action via Rhodamine 123 test. The tested compounds were found to induce apoptosis via extrinsic mitochondrial pathway.     

Polyphenolic profiling of Ipomoea carnea Jacq. by HPLC-DAD and its implications in oxidative stress and cancer

Ipomoea carnea Jacq. is an important folklore medicinal plant, assessed for its underexplored biological potential. Antioxidant, cytotoxic, antiproliferative and polyphenolic profile of whole plant was evaluated using various techniques. Maximum extract recovery (29% w/w), phenolic [13.54 ± 0.27 μg GAE/mg dry weight (DW)] and flavonoid (2.11 ± 0.10 μg QE /mg DW) content were recorded in methanol-distilled water (1:1) flower extract. HPLC-DAD analysis quantified substantial amount of six different polyphenols ranging from 0.081 to 37.95 μg/mg extract. Maximum total antioxidant and reducing potential were documented in methanol-distilled water and acetone-distilled water flower extracts (42.62 ± 0.47 and 24.38 ± 0.39 μg AAE/mg DW) respectively. Ethanol-chloroform root extract manifested highest free radical scavenging (IC₅₀ of 61.22 μg/mL) while 94.64% of the extracts showed cytotoxicity against brine shrimps. Ethanol leaf extract exhibited remarkable activity against THP-1 cell line (IC₅₀ = 8 ± 0.05 μg/mL) and protein kinases (31 mm phenotype bald zone).     

Bejan flow visualization of free convection in a Jeffrey fluid from a semi-infinite vertical cylinder

Journal of Thermal Analysis and Calorimetry - This article studies the pattern of heat lines in free convection non-Newtonian flow from a semi-infinite vertical cylinder via Bejan’s heat...