The conformation and diffusion of a single DNA molecule confined between two parallel plates are examined using both single molecule experiments and Brownian dynamics simulations accounting for hydrodynamic interactions. The degree of chain stretching and the diffusivity are characterized as a function of the chain confinement and the channel geometry. Good agreement is found between the simula...

In this work, the study of various substituted Kaempferol derivatives is presented. The bond dissociation energies (BDE) have been calculated using B3LYP level and different basis sets in gas-phase. Calculated results show that the BDE values of substituted Kaempferol range from about 77 to100 kcal/mol, demonstrating that Kaempferol is an effective chain-breaking antioxidant that prevents lipid...

A series of non-cyclic polyethers with different end groups and chain length were used for the extraction of lithium salt from aqueous into various organic phases viz. Chloroform, Carbon tetrachloride, 1,2-dichloroethane, to study the influence of structural variations within the extractant molecule upon the extraction selectivity and efficiency. The ionophores used were viz. DEG (I), DEGDME (I...

Many anticancer drugs in clinical use interact with DNA through intercalation, which is process that starts with the transfer of the intercalating molecule from an aqueous environment to the hydrophobic space between two adjacent DNA base pairs. In general, intercalatig agents are two types: monofunctional and bifunctional. Monofunctional intercalators contain one intercalating unit and Bifunct...

Protein-small molecule docking algorithms provide a means to model the structure of protein-small molecule complexes in structural detail and play an important role in drug development. In recent years the necessity of simulating protein side-chain flexibility for an accurate prediction of the protein-small molecule interfaces has become apparent, and an increasing number of docking algorithms ...

Type IX collagen is a key component of the extracellular matrix of cartilage where it occurs at the surfaces of type II collagen fibrils as a glycanated molecule. The function of the glycosaminoglycan (GAG) side chain of the molecule is, however, unknown. We have shown that type IX collagen in chicken sternal cartilage is synthesized with a unimodal distribution of GAG chain size, but at post 1...

to be sure, all the industries try to be involved in globalization with a constant trend to find out ways to increase productivity across different functions within an organization to maintain competitive advantage world. pharmaceutical industries are not exceptional and further are based on fragmentation. so these kind of companies need to cope with several barriers such as silo mentality that...

a series of non-cyclic polyethers with different end groups and chain length were used for the extraction of lithium salt from aqueous into various organic phases viz. chloroform, carbon tetrachloride, 1,2-dichloroethane, to study the influence of structural variations within the extractant molecule upon the extraction selectivity and efficiency. the ionophores used were viz. deg (i), degdme (i...

The sweet protein monellin consists of two noncovalently associated polypeptide chains, the A chain of 44 amino acid residues and the B chain of 50 residues. Since blocking the free SH group of Cys41 in the B chain or treating the adjacent Met42 with CNBr removed its sweetness, this part of the molecule has been suggested to be essential for the sweetness. The [Ser41] B chain, an analogue of th...

Many anticancer drugs in clinical use interact with DNA through intercalation, which is process that starts with the transfer of the intercalating molecule from an aqueous environment to the hydrophobic space between two adjacent DNA base pairs. In general, intercalatig agents are two types: monofunctional and bifunctional. Monofunctional intercalators contain one intercalating unit and Bifunct...