Two possible isomers of some 1,3-diaryl-H-benzo[f]chromene have been studied using density functional theory. Structures of E1 and E2 isomers were optimized at the B3LYP and MP2 levels with different basis sets. The total electronic energies show that E2 isomer is about 3-5 kcal/mol more stable than E1 isomer and this energy difference is attributed to the planarity of heterocyclic ring and mor...

the structures and stability of 531 novel boron nitride substituted isomers of 12-crown-4 etherverified theoretically. for a collection of 23 selected bn isomers, structural geometry, vibrationalstability, energy gaps, natural bond population analysis, and nonlinear optical responses investigatedtheoretically. the changes of standard enthalpies for ionization reactions and electron affinityreac...

The structures and stability of 531 novel boron nitride substituted isomers of 12-crown-4 etherverified theoretically. For a collection of 23 selected BN isomers, structural geometry, vibrationalstability, energy gaps, natural bond population analysis, and nonlinear optical responses investigatedtheoretically. The changes of standard enthalpies for ionization reactions and electron affinityreac...

The effect of divergent selection for ewe multiple-rearing ability over a 15-year period on mutton quality was examined on the M. longissimus dorsi and M. semimembranosus of entire rams (R) and ewes (E) derived from two Merino lines. The selection of these two lines was based on maternal ranking values for multiple-rearing ability in a positive (P) and negative (N) line. In the negative line th...

In the present study, theoretical chemical reactivates Photo isomerization in Cis-Retinal as a Natural Photo switch in Vision. DFT hybrid functional, B3LYP and, post-HF method, were the theoretical methods applied utilizing G09 software. 6-31G+ (d,p) basis set employed for structural optimizations, and single point computations performed using B3LYP/6-31G+(d,p). The isomers cis molecule retinal...

The rarity of atherosclerotic vascular disease and a mild bruising tendency in Greenland Eskimos has been linked to their ingestion of w3 fatty acids contained in foods obtained from the sea. Previous studies have shown that feeding salmon oil to normal volunteers resulted in reductions of plasma cholesterol and triglycerides. We wished to learn whether salmon oil feeding would result in the in...

BACKGROUND Human lymphocyte antigen B-associated transcript 5 (BAT5, also known as ABHD16A) is a poorly characterized 63 kDa protein belonging to the α/β-hydrolase domain (ABHD) containing family of metabolic serine hydrolases. Its natural substrates and biochemical properties are unknown. METHODOLOGY/PRINCIPAL FINDINGS Amino acid sequence comparison between seven mammalian BAT5 orthologs rev...

in the present study, theoretical chemical reactivates photo isomerization in cis-retinal as a natural photo switch in vision. dft hybrid functional, b3lyp and, post-hf method, were the theoretical methods applied utilizing g09 software. 6-31g+ (d,p) basis set employed for structural optimizations, and single point computations performed using b3lyp/6-31g+(d,p). the isomers cis molecule retinal...

the enzymatic potential of the cultured plant cells can be employed for bioconversion purposes. plant enzymes are able to catalyze regio- and stereo-specific reactions, and therefore can be applied for the production of desired substances. the biotransformation of foreign substrates with suspension cells of peganum harmala was tested with (±) phenylethyl propionate. the callus cultures of pegan...