A thermodynamic system far from equilibrium. III. Self-consistent φ4 theory

We use second-order perturbation theory and the average-field approximation to derive six equations defining the spatial-temporal dependence of the correlators for various components of the order parameter. We take into account both dissipative and reactive modes. We show the system undergoes a transition from the first mode to the second as the degree of nonequilibrium increases.Sumskii Physicotechnical Institute, Scientific-Industrial Enterprise of the RETO. Translated from Izv. Vyssh. Uchebn. Zaved., Fiz. No. 10, 76–79, October, 1994.     

Limiting instrumental function of the Fabry-Perot interferometer

Journal of Applied Spectroscopy -     

Semi-correlations as a tool to build up categorical (active/inactive) model of GABAA receptor modulator activity

The interpretation of mode of action for GABA_A receptor modulator activity is an important task of medicinal chemistry. The computational elucidation of the modulator activity is one of the ways to solve the above task. So-called semi-correlation is a tool for prediction of GABA_A receptor modulator activity. The semi-correlation is based on the Monte Carlo method. This approach is to build up categorical classification models into two classes: (i) active and (ii) inactive. The CORAL software (http://www.insilico.eu/coral) can be used to build up the semi-correlations. The statistical quality of models (for external validation sets) based on semi-correlation has the range of Matthews correlation coefficient (MCC) is 0.72–1.00 for 30 random splits of all available data (n?=?210) into the training and validation sets. In contrast to existing approaches, the predictive CORAL models give prediction using solely data on molecular architecture (represented by simplified molecular input-line entry system?=?SMILES) and available experimental data on endpoints. Suggested models for prediction of GABA_A receptor modulator activity are built up according to the OECD principles. Thus, the approach based on the semi-correlation can be a useful tool for studying of the GABA_A receptor modulators activity.

     

An anomalous change in the frequency of plasmon resonances of island metal films upon their contact with some polar organic media

We have examined the changes in the extinction of island metal films that occur as a result of their contact with a liquid crystal or polymethylmethacrylate. The morphology of surface nanostructures has been investigated. We have revealed that, upon immersion of an island metal film into a liquid medium molecules of which are polar, the shift of the plasmon resonance in the extinction spectrum and the increase in the extinction at the frequency of this resonance can substantially differ from the shift and the extinction increase theoretically calculated for an isotropic surrounding substance. We have shown that the reason for these differences is the local anisotropy of the refractive index of the medium in the immediate vicinity of metal particles, which is determined both by the shape of particles and by the degree of occupation of the substrate surface.     

The use of optimisation for enhancing the development of a novel sustainable masonry unit

This paper examines whether it is possible to utilise optimisation techniques to enhance the efficiency of the experiment-based development of a new product. Conventionally, a laboratory-based experimental investigation requires to check all combinations of all independent parameters describing the product; hence the optimum levels of the tested parameters is obtained. As a result there may be many thousands of samples produced to optimise these parameters; this is a time consuming, costly and laborious process. Instead, it is suggested that an empirical model is established and validated using the results of the laboratory investigation making it suitable for optimisation.