Jan Jadżyn

Bio: Jan Jadżyn is an academic researcher from Polish Academy of Sciences. The author has contributed to research in topics: Liquid crystal & Dielectric. The author has an hindex of 25, co-authored 234 publications receiving 2453 citations. Previous affiliations of Jan Jadżyn include Katholieke Universiteit Leuven.

Order Parameters in Some Nematics Determined from Optical Spectroscopy

Abstract: The measurements of the polarized absorption and fluorescence spectra of stilbene-derivative guest molecules dissolved in some nematic liquid crystals have been used for studies of the long-range orientational order in thin aligned samples. The temperature dependence of the order parameters (P 2) and (P 4) has been investigated. The influence of the molecular structure on the orientational order in nematics has been discussed.

Critical anomaly of dielectric permittivity for the temperature and pressure paths on approaching the critical consolute point.

Abstract: The experimental results of isothermal pressure dielectric permittivity « studies in a critical mixture characterized by a negative shift of critical temperature induced by pressure ( dTC / dP ,0) are presented. The critical effect is portrayed by the same relation as in previous «(T) and «( P) studies, with the critical exponent a50.1260.03. The advantage of pressure studies is the negligible influence of the correction-to-scaling term and the low-frequency Maxwell-Wagner effect. This conclusion is supported by the distortion-sensitive derivative analysis of the experimental data. In contrast to previous «( P) studies, carried out in mixtures with dTC / dP .0, the critical effect manifests by the bending-up behavior near the critical point. It is suggested that signs of the critical amplitudes of «( P) and «(T) anomalies may be related to the excess volume V E and the excess enthalpy H E , respectively.

Temperature dependence of the critical magnetic field of the structural transition in MBBA-based ferronematics

Abstract: We studied the structural transitions in ferronematics based on the thermotropic nematic liquid crystal MBBA (4′ -methoxybenzylidene-4-n-butylaniline) having a nematic-to-isotropic transition temperature T N–I = 48.0○C and in MBBA-based ferronematics doped with a magnetic suspension consisting of Fe3O4 particles (10 nm in diameter) coated with oleic acid as a surfactant. The ferronematic samples were prepared with different volume concentrations of magnetic particles φ =,1× 10−4, 2× 10−4 and 5×10−4. The temperature dependences of the critical magnetic fields in a bias electric field under strong applied magnetic fields are presented. We calculated the surface density of anchoring energy W at the nematic–magnetic particle boundary. Scaling of the structural transition in the MBBA and MBBA-based ferronematics with the temperature of the nematic-to-isotropic transition was observed.

The restaurant at the end of the random walk: recent developments in the description of anomalous transport by fractional dynamics

Abstract: Fractional dynamics has experienced a firm upswing during the past few years, having been forged into a mature framework in the theory of stochastic processes. A large number of research papers developing fractional dynamics further, or applying it to various systems have appeared since our first review article on the fractional Fokker–Planck equation (Metzler R and Klafter J 2000a, Phys. Rep. 339 1–77). It therefore appears timely to put these new works in a cohesive perspective. In this review we cover both the theoretical modelling of sub- and superdiffusive processes, placing emphasis on superdiffusion, and the discussion of applications such as the correct formulation of boundary value problems to obtain the first passage time density function. We also discuss extensively the occurrence of anomalous dynamics in various fields ranging from nanoscale over biological to geophysical and environmental systems.

A Medicinal Chemist’s Guide to Molecular Interactions

Abstract: Molecular recognition in biological systems relies on the existence of specific attractive interactions between two partner molecules. Structure-based drug design seeks to identify and optimize such interactions between ligands and their host molecules, typically proteins, given their three-dimensional structures. This optimization process requires knowledge about interaction geometries and approximate affinity contributions of attractive interactions that can be gleaned from crystal structure and associated affinity data. Here we compile and review the literature on molecular interactions as it pertains to medicinal chemistry through a combination of careful statistical analysis of the large body of publicly available X-ray structure data and experimental and theoretical studies of specific model systems. We attempt to extract key messages of practical value and complement references with our own searches of the CSDa,(1) and PDB databases.(2) The focus is on direct contacts between ligand and protein functional groups, and we restrict ourselves to those interactions that are most frequent in medicinal chemistry applications. Examples from supramolecular chemistry and quantum mechanical or molecular mechanics calculations are cited where they illustrate a specific point. The application of automated design processes is not covered nor is design of physicochemical properties of molecules such as permeability or solubility. Throughout this article, we wish to raise the readers’ awareness that formulating rules for molecular interactions is only possible within certain boundaries. The combination of 3D structure analysis with binding free energies does not yield a complete understanding of the energetic contributions of individual interactions. The reasons for this are widely known but not always fully appreciated. While it would be desirable to associate observed interactions with energy terms, we have to accept that molecular interactions behave in a highly nonadditive fashion.3,4 The same interaction may be worth different amounts of free energy in different contexts, and it is very hard to find an objective frame of reference for an interaction, since any change of a molecular structure will have multiple effects. One can easily fall victim to confirmation bias, focusing on what one has observed before and building causal relationships on too few observations. In reality, the multiplicity of interactions present in a single protein−ligand complex is a compromise of attractive and repulsive interactions that is almost impossible to deconvolute. By focusing on observed interactions, one neglects a large part of the thermodynamic cycle represented by a binding free energy: solvation processes, long-range interactions, conformational changes. Also, crystal structure coordinates give misleadingly static views of interactions. In reality a macromolecular complex is not characterized by a single structure but by an ensemble of structures. Changes in the degrees of freedom of both partners during the binding event have a large impact on binding free energy. The text is organized in the following way. The first section treats general aspects of molecular design: enthalpic and entropic components of binding free energy, flexibility, solvation, and the treatment of individual water molecules, as well as repulsive interactions. The second half of the article is devoted to specific types of interactions, beginning with hydrogen bonds, moving on to weaker polar interactions, and ending with lipophilic interactions between aliphatic and aromatic systems. We show many examples of structure−activity relationships; these are meant as helpful illustrations but individually can never confirm a rule.

Supercooled dynamics of glass-forming liquids and polymers under hydrostatic pressure

Abstract: An intriguing problem in condensed matter physics is understanding the glass transition, in particular the dynamics in the equilibrium liquid close to vitrification Recent advances have been made by using hydrostatic pressure as an experimental variable These results are reviewed, with an emphasis in the insight provided into the mechanisms underlying the relaxation properties of glass-forming liquids and polymers

Ionic Liquid Crystals: Versatile Materials.

Abstract: This Review covers the recent developments (2005-2015) in the design, synthesis, characterization, and application of thermotropic ionic liquid crystals. It was designed to give a comprehensive overview of the "state-of-the-art" in the field. The discussion is focused on low molar mass and dendrimeric thermotropic ionic mesogens, as well as selected metal-containing compounds (metallomesogens), but some references to polymeric and/or lyotropic ionic liquid crystals and particularly to ionic liquids will also be provided. Although zwitterionic and mesoionic mesogens are also treated to some extent, emphasis will be directed toward liquid-crystalline materials consisting of organic cations and organic/inorganic anions that are not covalently bound but interact via electrostatic and other noncovalent interactions.