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.

Fluidlike behavior of dielectric permittivity in a wide range of temperature above and below the nematic-isotropic transition.

Abstract: Singular behavior of the static dielectric permittivity of n-alkyloxycyanobiphenyls $({\mathrm{C}}_{n}{\mathrm{H}}_{2n+1}\mathrm{O}\ensuremath{-}\mathrm{P}\mathrm{h}\ensuremath{-}\mathrm{P}\mathrm{h}\ensuremath{-}\mathrm{C}\ensuremath{\equiv}N,$ $n=6,$ 7) was studied above and below the nematic clearing point ${(T}_{I\ensuremath{-}N}).$ On approaching the clearing point, the evolution of principal components of the nematic permittivity tensor, ${\ensuremath{\varepsilon}}_{\ensuremath{\parallel}}$ and ${\ensuremath{\varepsilon}}_{\ensuremath{\perp}},$ is described by the order parameter exponent $\ensuremath{\beta}\ensuremath{\approx}0.25.$ The mean value of the nematic permittivity ${\ensuremath{\varepsilon}}_{\mathrm{mean}}=({\ensuremath{\varepsilon}}_{\ensuremath{\parallel}}+2{\ensuremath{\varepsilon}}_{\ensuremath{\perp}})/3$ exhibits a singular behavior similar to that observed in the isotropic phase and that for the diameter of the coexistence curve in binary mixtures. The derivative of experimental data $d{\ensuremath{\varepsilon}}_{\mathrm{iso}}(T)/dT$ and $d{\ensuremath{\varepsilon}}_{\mathrm{mean}}(T)/dT$ shows the specific-heat-like behavior with universal exponents $\ensuremath{\alpha}={\ensuremath{\alpha}}^{\ensuremath{'}}\ensuremath{\approx}0.5.$ Results obtained confirm the hypothesis of the fluidlike, pseudospinodal, and tricritical behavior of the isotropic to nematic phase transition. [A. Drozd-Rzoska, Phys. Rev. E 59, 5556 (1999)].

Relative Static Permittivity of Dimethyl Sulfoxide + Water Mixtures

Abstract: The dielectric spectra corresponding to the static regime of dimethyl sulfoxide + water mixtures were recorded in the whole concentration range and in the temperature range from (253.15 to 333.15) K. For the mixtures rich in DMSO (0.60 < xDMSO ≤ 1, x = mole fraction) and rich in water (0 ≤ xDMSO < 0.1), it was possible to perform the investigations both in the liquid and solid phases of the samples. The determined melting temperatures were compared to the data available in the literature. The deviation from the additivity of the measured static permittivity of DMSO + water mixtures shows a maximum for xDMSO ≈ 0.35, indicating formation at that concentration of intermolecular entities (most probably they are 1DMSO·2H2O hydrogen-bonded complexes) of a relatively enhanced polarity.

On the molecular interpretation of the dielectric relaxation of nematic liquid crystals

Abstract: This paper presents the results of studies of the dielectric relaxation of nematic 6CHBT obtained for different values of the angle between the directions of the macroscopic orientation of the sample (director n) and the probing electric field E. Analysis of the evolution of the relaxation spectrum from e*‖(ω) (E‖n) to e*⊥(ω) (E⊥n)allows one to explain the hitherto existing inconsistency in the molecular interpretation of the spectra. A model of the molecular dynamics in the oriented nematics is proposed.

Static and dynamic dielectric properties of strongly polar liquids in the vicinity of first order and weakly first order phase transitions.

Abstract: The paper presents the results of measurements of the linear dielectric properties of the compounds from the homologous series of alkylcyanobiphenyls (C n H 2 n + 1 PhPhCN, nCB) in the vicinity of the first order transition (from the isotropic liquid to the crystalline phase) of nonmesogenic nCB's (n = 2-4) and the weakly first order transition (from the isotropic liquid to the nematic phase) of 5CB. The experimental method for the separation of the critical part of the static permittivity derivative and the activation energy for rotation of the mesogenic molecules, in the vicinity of weakly first order phase transition, is proposed. It is shown that the critical temperature dependence of the permittivity and the activation energy can be described with a function of (T -T*) - α type, with the same values of the temperature of virtual transition of the second order (T*) and the critical exponent (α).

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.