Density functional theory (DFT) calculations were performed to investigate adsorptions of vitamin C (Vit) on the surface a fullerene structure (Ful) in gaseous and water–solvated systems. Two models of Vit including OVit and MVit were created based on the original structure of Vit for OVit and methylation of all hydroxyl groups for MVit. All singular and hybrid structures were optimized and the...

Galactokinase plays a key role in normal galactose metabolism by catalyzing the ATP-dependent phosphorylation of alpha-D-galactose to galactose 1-phosphate. In humans, mutations in the galactokinase gene can lead to the diseased state referred to as Type II galactosemia. Here we describe the three-dimensional structure of galactokinase from Lactococcus lactis determined to 2.1-A resolution. As ...

The three dimensional shape or configuration of a molecule is an important characteristic. This shape is dependent on the preferred spatial orientation of covalent bonds to atoms having two or more bonding partners. Three dimensional configurations are best viewed with the aid of models. In order to represent such configurations on a two-dimensional surface (paper, blackboard or screen), we oft...

There is considerable confusion concerning the structure and synonymity of macroscopic sarcocysts in goats. In the present work, ultrastructural and molecular study on fat and thin macrocysts of Sarcocystis isolated from naturally infected goats were investigated. Two forms of macrocystic sarcocysts were collected from fresh oesophagus, diaphragm, skeletal muscles and heart of slaughtered goats...

the edge szeged index is a new molecular structure descriptor equal to the sum of products mu(e)mv(e) over all edges e = uv of the molecular graph g, where mu(e) is the number of edges which its distance to vertex u is smaller than the distance to vertex v, and nv(e) is defined analogously. in this paper, the edge szeged index of one-pentagonal carbon nanocone cnc5[n] is computed for the first ...

a new homologous series of linear aliphatic polyesters, such as poly (cis-2- butenylene carboxylate)s, pbms (m is the number of methylene groups in the acid component, m=2-8 have been synthesized by direct polyesterification reactions in anisole, as solvent. ft-ir, 400 mhz h- nmr, c-nmr and elemental analysis were used to establish the structure of polyesters. molecular weight distributions wer...