Earticle

Rhodium(I)-complex of [Rh(CO)2I2-] catalyzed carbonylation of anhydrous-trimethylamine in the presence of methyl iodide to give DMAC (N,N-dimethylacetamide) in no solvent. The catalyst had been reused 20 times, the analyses and distillation of collected products showed that the yields of DMAC, MAA (N-methylacetamide), and DMF (N,Ndimethylformamide) were 82.3%, 12.6%, and 4.4%. The conversion rate of trimethylamine was 99 % and the selectivity of DMAC was 82.3% with TON (Turnover Number) of 700. Stepwise procedure of inner-sphere reductive elimination for the formation of DMAC was suggested instead of acyl iodide intermediate.

The PZT thin films were deposited on Si(100) substrate using RF magnetron sputtering method. And the PZT thin films were post annealed at various temperatures to form perovskite phase. To analyze PZT thin films, surface profiler, XRD, XPS, CA, and SFE were used. The thickness increased from 536.5 to 833.2 nm as post annealing temperature increased. The perovskite PZT was observed from PZT-823 and pyrochlore PZT, ZrO2, TiO2, and perovskite PbZrO3 were observed. From the XPS, the atomic percentages of Pb, Zr, Ti, and O were calculated and the portion of Pb increased to PZT-823 and decreased to PZT-923 and then increased to PZT-1023. Also, the CA and SFE was effected on post annealing temperature and as a function of atomic percentage of Pb, the CA and SFE was transformed.

The crystal structure of the potential active 3-(4-ethylphenyl)-3H-chromeno[4,3-c] isoxazole-3a(4H)-carbonitrile (C19H16N2O2) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group P21/c with unit cell dimension a=6.6869 (8) Å, b=15.8326 (19) Å and c= 15.237 (2) Å [α=90°, β= 100.663° and γ= 90°]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...N and C-H...O hydrogen bond interaction.

Xanthine Oxidase is an enzyme, which oxidizes hypoxanthine to xanthine, and xanthine to uric acid. It is widely distributed throughout various organs including the liver, gut, lung, kidney, heart, brain and plasma. It is involved in gout pathogenesis. In this study, we have performed Comparative Molecular Field Analysis (CoMFA) on a series of 2-(indol- 5-yl) thiazole derivatives as xanthine oxidase (XO) inhibitors to identify the structural variations with their inhibitory activities. Ligand based CoMFA models were generated based on atom-by-atom matching alignment. In atom-by-atom matching, the bioactive conformation of highly active molecule 11 was generated using systematic search. Compounds were aligned using the bioactive conformation and it is used for model generation. Different CoMFA models were generated using different alignments and the best model yielded a cross-validated q2 of 0.698 with five components and non-cross-validated correlation coefficient (r2) of 0.992 with Fisher value as 236.431, and an estimated standard error of 0.068. The predictive ability of the best CoMFA models was found to be r2 pred 0.653. The CoMFA study revealed that the R3 position of the structure is important in influencing the biological activity of the inhibitors. Electro positive groups and bulkier substituents in this position enhance the biological activity.

Galactosemia is a potentially lethal disorder caused by the deficiency of the enzyme galactose-1-phosphate uridyltransferase (GALT) within the Leloir pathway. Galactokinase (GALK) is the enzyme in Leloir pathway which converts α-D galactose to galactose 1-phosphate. The elevated level of galactose-1 -phosphate, the product of GALK plays a major role in Galactosemia. Therefore the inhibition of GALK is a novel therapy for this disorder. Hence in the present study, we performed molecular docking of twenty inhibitors with different activity against galactokinase into the active site of galactokinase enzyme. The binding mode of these inhibitors was obtained using Surflex dock program interfaced in Sybyl-X2.0. The residues such as SER141, TYR109, ARG105, ARG228, TYR106, GLY346, GLY136, ASP86, ASP186 and SER142 found to interact with inhibitors.

Chemoattractant Receptor Homologous molecule expressed on Th2 cells (CRTh2) is a chemoattractant receptor with seven transmembrane helices targeted for inflammatory diseases such as asthma and allergic rhinitis. In this study, pharmacophore based Comparative Molecular Similarity Indices Analysis (CoMSIA) were performed on the series of 2- (2-(benzylthio)-1H-benzo[d]imidazol-1-yl) acetic acids derivatives. Initially, GASP module was used for generation of pharmacophore models using five highly active compounds from the dataset. Among the generated pharmacophores, the best pharmacophore model was selected based on fitness score and was used as template for the alignment of compounds which was used for CoMSIA analysis. The best predictions were obtained utilizing steric, hydrophobic and H-bond acceptor parameters showing a q2= 0.559 and r2= 0.730. 15 test set compounds was used to investigate the predictive ability of the CoMSIA model. Contour maps suggested that presence of bulky substituents and H-bond acceptor atoms at 5th position of benzene ring will increase the activity of the compounds. The results obtained from this study will be useful to design more potent CRTh2 antagonists.

LIM kinases belong to the serine/Threonine kinase family. The members of the LIM kinase (LIMK) family include LIMK 1 and 2 which are involved in the regulation of actin polymerisation and microtubule disassembly. LIMK1 was shown to be involved in cancer metastasis, while LIMK2 activation promotes cells cycle progression. Since LIMK2 plays a vital role in many disease conditions such as pulmonary hypertension, cancer and viral diseases, and till date there are not much selective inhibitors been reported, LIMK2 becomes an interesting therapeutic target among the kinases. 3D QSAR study was carried out on a series of pyrrolopyrimidines based derivatives as LIMK2 inhibitors. A reasonable CoMFA (q2=0.888; ONC=3; r2=0.974) with good statistical values was developed. The developed model was validated using 1000 runs of boostrapping and was found to be predictable. The results of CoMFA contour map analysis suggested that the bulky substitution at R4 and R5 position are highly desirable to increase the activity. Similarly, positive substitution at R3 position is also required to increase the activity. It is also noted that bulky substitution at R1 position must be avoided. Our results could provide valuable information to enhance the activity of the LIMK2 inhibitors and to design potent pyrrolopyrimidines derivatives.

This study examined the factors which have influence on the welfare facilities for the elderly and analyzes their efficiency. It investigated theoretical studies and preceding studies and divided the efficiency evaluation factors into input and output factors. Input factors included budget, the number of workers and clients and facility area and output factors were operation management, the number of clients, profitability and welfare for the elderly. To sum up the analysis results of evaluation factors of welfare facilities for the elderly, the analysis of relative importance of input showed that budget was most important. As a result of analyzing the relative importance among detailed items, balance sheet and professional manpower were highest. Input factors by facility types showed that the budget for utility facilities and living facilities were highest. In output factors, utility facilities and living facilities were highest in management systematization and welfare for the elderly, respectively. In efficiency evaluation, utility facilities for the elderly showed 100% of efficiency in CCR and BCC models. In welfare facilities for the elderly, while CCR model showed 100% of efficiency in facility types A, C, D, and F, the efficiency was low in facility B (79.89%), E (77.14%), and G (80.72%). In BCC model, facility E was low as 78.69%. In efficiency comparison between utility facilities and living facilities for the elderly welfare, the efficiency of utility facilities for the elderly welfare was higher. Therefore, this study investigated the efficiency of welfare facilities for the elderly as its main purpose and presented policy suggestions based on the research results as the alternative.

The present study showed WHtR to be significantly better than BMI and WC for prediction of metabolic-related diseases in the middle-aged and older people in Korea, based on Bayesian ordered probit model analysis. The variations of WC, BMI and WHtR were compared according to the number of metabolic-related diseases such as hypertension, dyslipidemia, stroke, myocardial infarction, angina pectoris and diabetes. It was found that the three measures showed the similar variation except a very few extreme cases for age less than 40. For subjects over the age of 40, WC was not significant and WHtR gave more influence in greater variability than BMI on the number of metabolic diseases. Also, the rate of change for WHtR was higher than for BMI as the number of metabolic-related diseases increased. Specifically, the difference of the marginal effect of WHtR between no disease and only one disease was 1.81 times higher than that of BMI. Moreover, it was pointed out that the threshold value of WHtR for obesity should be considered differently by age.

In this article, we compute the order of a general linear group GLn(A) over a finite ring A.