1 Probabilistic approach in image analysis. The basic idea of probabilistic approach in image analysis, see e.g. [1, 2], was to rewrite an image processing procedure in the language of statistical physics using concepts of statistical ensembles, equilibrium and non-equilibrium dynamics. Under this view, images are considered as configurations of a Gibbs field. The implicit assumption behind the...

in this research, we report the results of dft calculations using xc-hybrid functional, b3lyp and employ nbo interpretation to investigate the stereoelectronic effects. electrostatic and steric impacts on the conformational properties of 1,2-difluorodiazene (1), 1,2-dichlorodiazene (2) and 1,2-dibromodiazene (3) are also studied. factors determining the thermodynamically stable molecular struct...

The aqueous intramolecular cyclization of 3a-hydroperoxitryptophan, Trp-OOH, (an intermediate in the photodynamic treatment of cancer) is studied at the PCM-MP2/aug-cc-pVDZ//PCM-B3LYP/aug-cc-pVDZ computational level with and without explicit water molecules. The three-cycle product may evolve to the metabolite N-formyl kynurenine in living beings or can be a building block in the formation of i...

We discuss the effectiveness of existing methods for understanding the forces driving the formation of specific protein-DNA complexes. Theoretical approaches using the Poisson-Boltzmann (PB) equation to analyse interactions between these highly charged macromolecules to form known structures are contrasted with an empirical approach that analyses the effects of salt on the stability of these co...

Calculation of phase and chemical equilibria is of fundamental importance for the design and simulation of chemical processes. Methods that minimize the Gibbs free energy provide equilibrium solutions that are only candidates for the true equilibrium solution. This is because the number and type of phases must be assumed before the Gibbs energy minimization problem can be formulated. The tangen...

We develop a high-order energy method to prove asymptotic stability of flat steady surfaces for the Stefan problem with surface tension also known as the Stefan problem with Gibbs-Thomson correction.

The sequential changes occurring with cancer progression are now being harnessed with therapeutic intent. Yet, there is no understanding of the chemical thermodynamics of proteomic changes associated with cancer progression/ cancer stage. This manuscript reveals a strong correlation of a chemical thermodynamic measure (known as Gibbs free energy) of protein-protein interaction networks for seve...

Non-linear and non-gaussian signal inference problems are difficult to tackle. Renormalization techniques permit us to construct good estimators for the posterior signal mean within information field theory (IFT), but the approximations and assumptions made are not very obvious. Here we introduce the simple concept of minimal Gibbs free energy to IFT, and show that previous renormalization resu...

DNA codeword design has been a fundamental problem since the early days of DNA computing. The problem calls for finding large sets of single DNA strands that do not crosshybridize to themselves, to each other or to others’ complements. Such strands represent so-called domains, particularly in the language of chemical reaction networks (CRNs). The problem has shown to be of interest in other are...