Related papers: Theoretical Characterization of Structural Disorde…
Melanins are a group of complex pigments of biological origin, widely spread in all species from fungi to man. Among diverse types of melanins, the human melanins, eumelanins,are brown or black nitrogen-containing pigments, mostly known for…
The melanin is a group of biological pigments commonly found in living beings, it can be classified in three groups: eumelanin human beings, pheomelanins in animals, and allomelanins in the vegetal kingdom. There is a special interest in…
We report the results of an experimental and theoretical study of the electronic and structural properties of a key eumelanin precursor - 5,6,-dihydroxyindole-2-carboxylic acid (DHICA) and its dimeric forms. We have used optical…
We develop a model in the framework of nuclear fragmentation at thermodynamic equilibrium which can be mapped onto an Ising model with constant magnetization. We work out the thermodynamic properties of the model as well as the properties…
Thermodynamic properties of the ferromagnetic Ising model on the hierarchical pentagon lattice is studied by means of the tensor network methods. The lattice consists of pentagons, where 3 or 4 of them meet at each vertex. Correlation…
We discuss recent progress towards the establishment of important structure-property-function relationships in eumelanins - key functional bio-macromolecular systems responsible for photo-protection and immune response in humans, and…
Intrinsically disordered proteins and regions are increasingly appreciated for their abundance in the proteome and the many functional roles they play in the cell. In this short review, we describe a variety of approaches used to obtain…
We revisit the one-dimensional ferromagnetic Ising spin-chain with a finite number of spins and periodic boundaries and derive analytically and verify numerically its various stationary and dynamical properties at different temperatures. In…
A method is presented for the determination of complex-valued compression and shear elastic moduli of polymers for ultrasound applications. The resulting values, which are scarcely reported in the literature, are found with uncertainties…
The biopolymers actin and microtubules are often in an ongoing assembling/disassembling state far from thermal equilibrium. Above a critical density this leads to spatially periodic patterns, as shown by a scaling argument and in terms of a…
A novel framework has recently been proposed for designing the molecular structure of chemical compounds with a desired chemical property using both artificial neural networks and mixed integer linear programming. In this paper, we design a…
Accurate knowledge of temperatures in power semiconductor modules is crucial for proper thermal management of such devices. Precise prediction of temperatures allows to operate the system at the physical limit of the device avoiding…
A simple model for the formation of the polymer-enzyme conjugates has been proposed and described using corresponding extension of the Wertheim's first-order thermodynamic perturbation theory (TPT1) for the system of associating chain…
Chromosome organisation is increasingly recognised as an essential component of genome regulation, cell fate and cell health. Within the realm of transposable elements (TEs) however, the spatial information of how genomes are folded is…
Real-space self-interaction corrected (time-dependent) density functional theory has been used to investigate the ground-state electronic structure and optical absorption profiles of a series of linear oligomers inspired by the natural…
The two-dimensional Ising model with competing short range ferromagnetic interactions and long range antiferromagnetic interactions is perhaps the most simple one containing the minimal microscopic ingredients necessary for an appropriate…
The rational assembly of monomers, in principle, enables the design of a specific periodicity of polymeric frameworks, leading to a tailored set of electronic structure properties in these solid-state materials. The further development of…
Model biomembrane systems play a crucial role in advancing biomedical research by providing simplified yet effective platforms for exploring complex biological mechanisms. These systems span a wide range of scales, from…
Polymer blends consisting of two or more polymers are important for a wide variety of industries and processes, but, the precise mechanism of their thermomechanical behaviour is incompletely understood. In order to understand clearly, it is…
This paper presents an experimental investigation on pattern formation and evolution in bilayered tubular organs using swelling deformation of polydimethylsiloxane (PDMS) and aims at supplying a thorough comparison with theoretical and…