exergy analysis of a system is a method for recognizing the value and type of system availability against surrounding environment. it also helps to find how macroscopic properties of the system change during a process. this analysis is based on first and second laws of thermodynamics. by exergy analysis proportion of each process in the internal availability transmission and the places of usefu...

We use explicit solvent molecular dynamics simulations to estimate free energy, enthalpy, and entropy changes along the cavity-ligand association coordinate for a set of seven model systems with varying physicochemical properties. Owing to the simplicity of the considered systems we can directly investigate the role of water thermodynamics in molecular recognition. A broad range of thermodynami...

Determining the structures, kinetics, thermodynamics and mechanisms that underlie conformational exchange processes in proteins remains extremely difficult. Only in favourable cases is it possible to provide atomic-level descriptions of sparsely populated and transiently formed alternative conformations. Here we benchmark the ability of enhanced-sampling molecular dynamics simulations to determ...

An updated version of the PNJL model is used to study the thermodynamics of Nf = 2 quark flavours interacting through chiral four-point couplings and propagating in a homogeneous Polyakov loop background. Previous PNJL calculations are extended by introducing explicit diquark degrees of freedom and an improved effective potential for the Polyakov loop field. The mean field equations are treated...

A principle of virtual dissipation generalizing d’Alembert’s principle to nonlinear irreversible thermodynamics is applied to viscous fluid mixtures with coupled thermomolecular diffusion. Origina,l dynamical field equations are obtained directly from the variational principle. The use of new fundamental concepts and methods in the thermodynamics of open systems avoids the difficulties inherent...

The analysis of peptide and protein partitioning in lipid membranes is of high relevance for the understanding of biomembrane function. We used statistical thermodynamics analysis to demonstrate the effect of peptide mixing behavior on heat capacity profiles of lipid membranes with the aim to predict peptide aggregation from c(P)-profiles. This analysis was applied to interpret calorimetric dat...

Here we represent thermodynamics on soluble carbon nanotubes that enables deep understanding the interactions between single-walled carbon nanotubes (SWNTs) and molecules. We selected sodium cholate and single-stranded cytosine oligo-DNAs (dCn (n = 4, 5, 6, 7, 8, 10, 15, and 20)), both of which are typical SWNT solubilizers, and successfully determined thermodynamic properties (ΔG, ΔH and ΔS va...

In general, thermodynamics is the study of laws governing processes which involve heat changes. It includes the study of conditions under which various substances exist in chemical equilibria, the consequences of chemical reactions and the interchange of heat and other forms of energy when a chemical re action occurs. In the field of nuclear technology, it is necessary to know how construction ...

This work investigates the influence of directional properties of decoherence on kinetics rate equations. The physical reality is understood as a chain of unitary and decoherence events. The former are quantum-deterministic, while the latter introduce uncertainty and increase entropy. For interactions of matter and antimatter, two approaches are considered: symmetric decoherence, which correspo...

Background: Development of safe radioprotector is a challenging task. In this study radioprotective effect of sucrose has been demonstrated in calf thymus DNA (CtDNA). Sucrose is a free radical scavenger and also acts as osmolyte and therefore can influence the water activity around DNA and effects of radiation on DNA. Hoechst 33258 was used to probe the possible alteration in physicochemical p...