the interaction of fe2+ ion with pyrazole was theoretically studied by gussian 03, software at hf/(lanl2dz+6-31g) and hf/ (lanl2dz+6-31g (d)) levels in gas phase and solution. in this study acompartion between optimized structures of pyrazole molecule in aspect of thermodynamicparameters such as enthalpy (h°), gibbs free energy (g°) and entropy (s°) in presence of metallic ion(fe2+), was perfor...

the physical and chemical properties of pyrazole and pyrazoline molecules were theoreticallystudied by gaussian 03, software with nmr and molecular orbital calculations at b3lyp/6-31g andb3lyp/6-31+g(d) levels, in gas phase and solution. in this study a comparison effect of threesolvents with different dielectric constants on pyrazole and pyrazoline molecules in aspect energyinteraction between...

the phenomenological model of khossravi and connors (1992) has been adopted to calculate the electrophoretic mobility of drugs at different concentrations of solvents in a binary mixture. the accuracy and predictability of the model have been evaluated employing 14 experimental data sets by using average percentage mean deviation (apmd). the obtained apmd for correlative and predictive studies ...

A chiral tetraphenylethene derivative with two valine-containing attachments (TPE-DVAL), was synthesized by Cu(I)-catalyzed azide-alkyne "click" reaction. The optical properties and self-assembling behaviours of TPE-DVAL were investigated. The molecule is non-emissive and circular dichroism (CD)-silent in solution, but shows strong fluorescence and Cotton effects in the aggregation state, demon...

background: solvents, which are widely used in industry, are able to dissolve another substance for creating a solution. solvents have various effects on human health based on their type and chemical composition. methods: this was a cross-sectional study to investigate the harmful effects of solvents on wood painters in yazd city. to achieve information, a census questionnaire was prepared and ...

This work focuses on the experimental measurement and modeling of solid–liquid equilibria containing continuous binary solid solutions crystallized from solvent mixtures for usage in antisolvent crystallization. The newly constructed quaternary phase diagrams l-valine/l-leucine water/2-propanol water/acetone systems are analyzed compared to those water/ethanol mixtures. Experimental data sets d...

the present study was carried out to examine the effect of supplemental dietary valine in the starter diet of broilers (0-15 d of age) on performance, antibodyresponse to newcastle disease virus vaccination and bone mineralization. the experiment was conducted using 300 ross 308 male broilers. one-day-old chicks were randomly allotted to 3 groups; each group consisted of 5 replicate pens with 2...

To analyze genetic effects on milk production traits, 164 unrelated Italian Jersey cows reared in 15 farms located in Southern Italy were characterized at the growth hormone locus. Using a Polymerase Chain Reaction-Restriction Fragment Length Polymorphism protocol all three possible genotypes for the Leucine/Valine polymorphism were identified even if in the considered population the number of ...

The hydrophobic dl-amino acids alanine, valine, leucine, and isoleucine have been cocrystallized with LiCl via solid-state solution methods, the effect of preparation conditions solvent choice on racemic versus conglomerate formation has investigated. For sake comparison, enantiopure l-amino also reacted in same experimental conditions. With dl-alanine only, a ionic cocrystal formula dl-alanine...

A series of three molecular dynamics simulations at 300 K in explicit solvent environments of chloroform, methanol and water has been performed on the pulmonary surfactant lipoprotein, SP-C, comprising several consecutive valine residues in order to investigate the stability of the alpha-helical conformation. Two additional simulations were performed on truncated SP-C with a five-residue N-term...