introduction the chemical characteristic of groundwater as a major source of water supply for human life is an important factor in determining the usage of it for agriculture, industry and drinking. useful techniques and different methods of studying the chemical composition of groundwater such as correlation coefficient, descriptive statistics, factor analysis and cluster analysis provide an u...

The physical basis for high-affinity interactions involving proteins is complex and potentially involves a range of energetic contributions. Among these are changes in protein conformational entropy, which cannot yet be reliably computed from molecular structures. We have recently used changes in conformational dynamics as a proxy for changes in conformational entropy of calmodulin upon associa...

In this paper we introduce the concept of entropy operator for continuous systems of finite topological entropy. It is shown that it generates the Kolmogorov entropy as a special case. If $phi$ is invertible then the entropy operator is bounded with the topological entropy of $phi$ as its norm.

The morpholinium cation based ionic liquids are designed to evaluate the thermophysical, chemical reactivity, and biological activity. To estimate and design the bioactive ILs, propionate and trihalopropanoate were considered under theoretical study by Density Functional Theory (DFT). To make effect of halogens atom on anion, propionate, trifluro propionate, trichloro propionate, and tribromo p...

The Rényi entropy is a generalization of Shannon entropy to a one-parameter family of entropies. Tsallis entropy too is a generalization of Shannon entropy. The measure for Tsallis entropy is non-logarithmic. After the introduction of Shannon entropy , the conditional Shannon entropy was derived and its properties became known. Also, for Tsallis entropy, the conditional entropy was introduced a...

We introduce an information theoretic measure of dependency between multiple random variables, called ‘binding information’ and compare it with several previously proposed measures of statistical complexity, including excess entropy, Crutchfield et al’s entropy of causal states, Bialek et al’s predictive information, Dubnov’s information rate, and the multiinformation. We discuss and prove some...

In the present study we characterize the thermodynamics of binding of histamine to recombinant histamine-binding protein (rRaHBP2), a member of the lipocalin family isolated from the brown-ear tick Rhipicephalus appendiculatus. The binding pocket of this protein contains a number of charged residues, consistent with histamine binding, and is thus a typical example of a "hydrophilic" binder. In ...

Cell temperature of hard carbons is varied under open circuit conditions (entropy profiling) during sodiation. Features vary with pore size, revealing the nanopore filling onset. Sodium binding energy scales inversely curvature radius.