Recently Professor E. S.Rudakov has written a new book which might have attracted the attention of many peoples interested in thermodynamics. From previous experience it can be anticipated, however, that its impact on the majority of international scientific community would be substantially delayed because this book was published by an Ukrainian publisher in Russian. The main aim of this book c...

Presenting research on: Bioengineering Cell and Tissue Bioengineering Gene Therapy Cell Adhesion Transport Processes in Biological Systems Nanoscale Materials Science and Engineering Heterogeneous Catalysis olymer Self-Assembly Surfactant and Block Cop Nanoparticle Synthesis and Characterization Molecular and Multiscale Modeling Statistical Thermodynamics Molecular Simulation Applied Computatio...

The most successful exorcism of Maxwell’s demon is Smoluchowski’s 1912 observation that thermal fluctuations would likely disrupt the operation of any molecular-scale demonic machine. A later tradition sought to exorcise Maxwell’s demon by assessing the entropic cost of the demon’s processing of information. This later tradition fails since these same thermal fluctuations invalidate the molecul...

Thermodynamics controls structure, function, stability, and morphology of polymer blends. However, obtaining the precise information about their mixing thermodynamics is a challenging task, especially when dealing with complex macromolecules. This partially because delicate balance between local concentration/composition fluctuations monomer level (multibody) interactions. In this context, Kirk...

• The molecular model of lignin modified bitumen was established. influence on the thermodynamics, rheological and adhesion properties were investigated. correlation between microscale macroscale performance built. dynamic diffusion self-healing predicted. Lignin, as a major waste from biofuel paper industries, could be utilized modifier to enhance relevant bitumen. However, effects thermodynam...

Water the solvent of life plays an important role in biological assembly and organization. Folding of proteins, formation of micelles and membranes, and molecular recognition in biological systems are all 'water-mediated' processes, in which molecular structure and organization of water can drive thermodynamics and guide the mechanics of assembly. However, understanding the molecular details of...

We examine the thermodynamics of the liquid-vapor interface by direct calculation of the surface entropy, enthalpy, and free energy from extensive molecular dynamics simulations using the two-phase thermodynamics (2PT) method. Results for water, acetonitrile, cyclohexane, dimethyl sulfoxide, hexanol, N-methyl acetamide, and toluene are presented. We validate our approach by predicting the inter...

Binding-induced biomolecular switches are used throughout nature and, increasingly, throughout biotechnology for the detection of chemical moieties and the subsequent transduction of this detection into useful outputs. Here we show that the thermodynamics of these switches are quantitatively described by a simple 3-state population-shift model, in which the equilibrium between a nonbinding, non...