In this article we focused on computational research of sumanenes disubstituted by boron where the two carbon atoms are substituted by two boron atoms. Disubstitution of rim carbon atoms with boron atoms significantly affected the geometry of the bowl. The main stability factors were used to determine the stability of isomers. The most stable, the shallowest and the deepest isomers were subjected to further study of NMR parameters, chemical shielding and NICS, aromaticity, bowl to bowl inversion barrier and NBO/NPA analysis. The introduction of boron atoms significantly affected the above parameters, changing the aromatic nature of rings, reducing bowl to bowl inversion barrier and produced charge transfer. The NICS are correlated with bowl depth having the result that the function of the fourth degree of bowl depth does not only correlate well to the bowl to bowl inversion barrier with bowl depth, but also finely correlates the change of the NICS and NICSzz with bowl depth.

Abstract. In this paper, we will analyze the application of nanomaterials in biomedicine, that is to say, we will present the recent accomplishments in basic and clinical nanomedicine. Achieving the full potential of nanomedicine may be years or even decades away; however, potential advances in drug delivery, diagnosis, and the development of nanotechnology-related drugs are starting to change the landscape of medicine. Site-specific targeted drug delivery (made possible by the availability of unique delivery platforms, such as dendrimers, nanoparticles and nanoliposomes) and personalized medicine (result of the advance in pharmacogenetics) are just a few concepts on the horizon of research. In this paper, we have especially analyzed the changes in basic physical properties of sphericalshaped nanoparticles that can be made in several (nano)layers and have, at the same time, multiple applications in medicine. The subject of the research in this paper includes the modeling of nanomaterials in the field of pharmaceutical technology for biomedical application. This includes a very precise encapsulated drug delivery on the exactly defined place in the human tissue or organ and the disintegration of the capsule -drug carrier, so that the medicament can start producing its effect. The goal of multidisciplinary researches with biocompatible molecular nanomaterials is to find the parameters and the possibilities to construct boundary surfaces that will, in interaction with the biological environment, create such properties of nanolayers that can be conveniently used for layers of drug carrier capsules, biochips and biomarkers. These layers should demonstrate a controlled disintegration of structure, better dielectric properties, discrete luminescence and appropriate bioporosity, as all of these are the requirements of contemporary nanomedicine.

Electron subsystem of ultrathin films was analyzed using Green's function method including quantum size effect and effect of boundaries on Hamiltonian parameters. We have calculated basic physical properties of electrons in crystalline films: energy spectra, possible states, space distribution of electrons and the position of Fermi level, which enabled the complete insight into the thermodynamic or conducting characteristics of observed film-structure. The comparison with crystal bulk have shown that electronic properties of the materials are strongly influenced by both the sample dimensions and boundary conditions. The numerical calculations performed for very thin crystalline metallic-like films show that localized states and spatial distribution of the (quasi)free electrons might be manipulated by varying the surface parameters which is significant for operation of devices based on thin films.

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Abstract. We performed a study to investigate whether some physiological processes are caused by electrical current when passing through the tissues and organs. The basic idea of diathermia, medical treatment and therapy with alternating high frequency electric current, is to use the transformation of electric power into heat when the current goes through the tissue and internal biological environment. The important fact in this process is to avoid the massive displacement of ions, which could be potentially destructing side effect. Advantage and importance of using the alternate current (with frequency 1 MHz) over the direct current is explained, as well as the fact that this effect was spotted almost simultaneously by Nikola Tesla and Jaques d'Arsonval, at the end of 19 th century. This paper also explains later the cooperation between two scientists and the basic principles of diathermy -heating effect with high frequency alternate current.

Abstract. The subject of the research in this paper includes theoretical investigation of nanomaterials modeling in the field of pharmaceutical technology for biomedical application. This includes a very precise encapsulated drug delivery, on exactly defined place in the human tissue or organ and a disintegration of capsule -drug carrier, so that the medicament can start producing its effect. The goal of multidisciplinary researches with biocompatible molecular nanomaterials is to find the parameters and the possibilities to construct boundary surfaces that will, in interaction with biological environment, create such properties of nanolayers that are convenient for use for layers of drug carrier capsules, biochips and biomarkers. These layers should demonstrate controlled disintegration of structure, better dielectric properties, discrete luminescence and appropriate bioporosity as all these are the requirements of contemporary nanomedicine. The main advantage of the theoretical approach is the essential knowledge of the mechanisms that allow us to comprehend the experimental conditions that we have to fulfill to be able to get the desired results. The results achieved up to now by our research group in the application of the Green's function method on flat ultrathin films are promising for applications in the frame of optical core-shell models. This paper presents the review of our current achievement in the field of theoretical physics of exciton ultrathin films and possible ways to materialize the same in the field of nanopharmacy.