نتایج جستجو برای: structural and thermodynamic parameters
تعداد نتایج: 16926004 فیلتر نتایج به سال:
vinblastine is an important anticancer agent known to diminish microtubule assembly. ab initio calculations are applied to examine the structural properties and different energies of vinblastine-tubulin complex in different dielectric constants and temperatures. the aims of this work are discovery the best optimized structure and thermodynamic properties of vinblastine-tubulin complex and compa...
Elucidation of how the thermodynamic parameters are determined by the molecular structures in a bimolecular interactions is becoming a fundamental driving force in the rational design of drugs. If we can determine the structure of the target and the potential drug we should be able to predict the equilibrium constant for their interaction based on simple relationships. With this information the...
in this study, a series of laboratory tests were conducted to investigate the efficiency of hydroxyapatite (1-iap)nanopowders towards adsorption of lysozyme from aqueous solution. in the present research. i rp nanopowderssynthesized from egg-shell characterized using sem and ft-ht. the adsorption of lysozyme was i mg/ml using0.1 g adsorbent in 100 ml of lysozyme solution. adsorption data were f...
porophyrins and their metal derivatives are strong dna binders with association constant of to . some of these compounds have been used for the radiations sensitization therapy of cancer and are targeted to interact with cellular dna. binding of porphyrins to dna changes the expectral and other physic chemical characteristic of porphyrins, the mode of binding can be extracted from inspection ...
We perform molecular dynamics simulations to investigate the relationship between structural order and waterlike dynamic and thermodynamic anomalies in spherically symmetric potentials having either one or two characteristic length scales. Structural order is characterized by translational and orientational order parameters. We find that (i) dynamic and thermodynamic anomalies exist for both on...
the present paper investigates how far ideologies can be tease out in discourse by examining the employed schemata by two ideologically opposed news media, the bbc and press tv, to report syria crisis during a period of nine months in 2011. by assuming that news is not a valuefree construction of facts and drawing on micro structural approach of schema theory, for the first time in discours...
abstract in this study, we synthesized a novel template polymer by using methacrylic acid (mma) as functional monomer, ethylene glycol dimethacrylate(egdma) as cross linker, 2,2-azobisisobutyronitrile (aibn) as initiator and olanzapine as targeted molecule in the presence of chloroform and acetonitrile as solvent. the products have been characterized and confirmed by (chn)elemental analysis,...
An L-DNA, the mirror-image isomer of natural DNA, has extraordinary nuclease resistance, and thus the molecules should be promising reagents for many applications, such as antisense technology. However, little is known about the structural and thermodynamic properties of DNAs with this modified nucleotide. In this study, we prepared the L-nucleotide (L-dA) and introduced it into oligodeoxyribon...
bekenstein and hawking by introducing temperature and every black hole has entropy and using the first law of thermodynamic for black holes showed that this entropy changes with the event horizon surface. bekenstein and hawking entropy equation is valid for the black holes obeying einstein general relativity theory. however, from one side einstein relativity in some cases fails to explain expe...
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...
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