Investigation on interaction of azo dyes with bovine serum albumin as carrier protein will be important in the field of toxicology because of distribution and transportation of dyes in blood. In this regard, the interaction between the azo dye, trisodium (4E)-3-oxo-4-[(4- sulfonato-1- naphthyl) hydrazono] naphthalene-2,7-disulfonate (C20H11N2Na3O10S3), known as Amaranth and bovine serum albumin...

AlMCM-41 was applied for adsorption of methylene blue (MB) and auramine (AU) in single and binary component systems. In the single component systems, AlMCM-41 represents higher adsorption capacity for MB than AU with the maximal adsorption capacity of 2.07×10−4 and 1.15×10−4 mol/g at 25 ˚C for MB and AU, respectively. In the binary component system, MB and AU exhibit compe...

Thermodynamic data for proteins are important for understanding the mechanism of protein stability. Pfeil [1] collected a set of thermodynamic data on protein folding and stability from experimental studies. Recently, we have developed an electronically accessible Thermodynamic Database for Proteins and Mutants (ProTherm) [2], which includes several thermodynamic data (unfolding Gibbs free ener...

Due to the importance of power generation cycles including combined cycle, many studies have been done in recent years and many researchers have been tried to optimize these cycles by using of existing methods. In this study, the Water-Ammonia cycle is investigated in the combined-cycle of the Water-Ammonia, working dual Water-Ammonia mixture is used as the works fluid. This cycle can be used f...

Cytochrome-c (cyt-c) is an electron transport protein, and it is present throughout the evolution. More than 280 sequences have been reported in the protein sequence database (www.uniprot.org). Though sequentially diverse, cyt-c has essentially retained its tertiary structure or fold. Thus a vast data set of varied sequences with retention of similar structure and fun...

Recent studies show the Earth’s core may contain more magnesium (Mg) than previously thought, with perhaps up to 6 wt% in the early core and ∼1wt% still existing now. The Mg partitioning between liquid and solid iron (Fe) under the relevant conditions is needed, therefore, in order to establish whether the presence of magnesium will have an effect on core properties, particularly those of the i...

In drug discovery, protonation states and tautomerization are easily overlooked. Through a Merck-Rutgers collaboration, this paper re-examined the initial settings and preparations for the Thermodynamic Integration (TI) calculation in AMBER Free-Energy Workflows, demonstrating the value of careful consideration of ligand protonation and tautomer state. Finally, promising results comparing AMBER...

Bayesian inference is intractable for many interesting models, making deterministic algorithms for approximate inference highly desirable. Unlike stochastic methods, which are exact in the limit, the accuracy of these approaches cannot be reasonably judged. In this paper we show how low order perturbation corrections to an expectation-consistent (EC) approximation can provide the necessary tool...