The prospective study, lasted from January 2010 to January 2015, covered the respondents treated for breast carcinoma. The respondents were divided into 2 groups. First group, group A (59 respondents), included the respondents where the tumour was found in diameter to 2 cm and were operated by breast-sparing surgery. Second group, group B (88 respondents), was consisted of respondents where the tumour was discovered in diameter over 2 cm and which breast amputated as part of a radical cancer surgery by Madden technique. The aim of this study is to analyse the effects of surgical treatment of breast carcinoma with different diameter and influence of tumour diameter on treatment outcome. The parameters for comparison of results were the number of relapses, the time elapsed from surgery to recurrence and treatment outcome. There were no significant differences between the two groups regarding the motives for attending breast examination. The incidence of carcinoma in the left or right breast also showed no statistical difference. It was found that the most common breast cancer is in women age between 50 and 70. It has been shown that breast carcinoma with diameter over 2 cm was significantly more frequent in women age of 71 to 80. Recurrent disease was registered in 3 cases in respondents from group A. Recurrence in group B was not registered. Lethal outcome was observed in group B in 4 cases, and in group A in 1 case, which proved to be statistically different.

We showed how a structural modification of graphene, which gives a carbon allotrope graphyne, can induce an energy gap at the K point of the Brillouin zone. Upon adsorption on metallic surfaces, the same mechanism is responsible for the further modification of the energy gap which occurs via the charge transfer mechanism. We performed the calculation based on the density functional theory with the novel non-local vdW-DF correlation of the adsorption of graphyne on Cu(111), Ni(111) and Co(0001) surfaces and showed the dependence of the gap change on the charge transfer in the system. The binding of graphyne appears to be stronger than of graphene on the same surfaces.

The doping mechanism and realistic Fermi surface (FS) evolution of La2−xSrxCuO4 (LSCO) are modelled within an extensive ab initio framework including advanced band-unfolding techniques. We show that ordinary Kohn-Sham DFT+U can reproduce the observed metal-insulator transition, when not restricted to the paramagnetic solution space. Arcs are self-doped by orbital charge transfer within the Cu-O planes, while the introduced Sr charge is strongly localized. Arc protection and the inadequacy of the rigid-band picture are consequences of a rapid change in orbital symmetry at the Fermi energy: the material undergoes a dimensional crossover along the Fermi surface, between the nodal (2D) and antinodal (3D) regions. In LSCO, this crossover accounts for FS arcs, the antinodal pseudogap, and insulating behavior in c-axis conductivity, all ubiquitous phenomena in high-Tc cuprates. Ligand Coulomb integrals involving out-of-plane sites are principally responsible for the most striking effects observed by ARPES in LSCO.

P. Lazić,1 G. M. Sipahi,2,* R. K. Kawakami,3 and Igor Žutić2,† 1Rudjer Bošković Institute, PO Box 180, Bijenička c. 54, 10 002 Zagreb, Croatia 2Department of Physics, University at Buffalo, State University of New York, Buffalo, New York 14260, USA 3Department of Physics, The Ohio State University, Columbus, Ohio 43210, USA (Received 17 February 2014; revised manuscript received 1 August 2014; published 22 August 2014)

In this review we summarize our experience gained from several recent ab initio studies aimed to investigate how the competition between short-ranged chemical and long-ranged dispersion interactions determines the bonding mechanism of a specific set of chemically functionalized π-conjugated organic molecules on non-magnetic and magnetic metal surfaces. A key point of this review is to provide a detailed analysis on the issue of how to tune the strength of the organic molecule-surface interaction, such that the nature of the molecular bonding exhibits the specific electronic features of the physisorption or chemisorption bonding mechanisms. In particular, we discuss in detail how the precise control of these bonding mechanisms can be used to design specific electronic and magnetic properties of hybrid organic-metallic interfaces. Furthermore, our first-principles simulations provide not only the basic insights needed to interpret surface-science experiments, but are also a key tool to design organic-substrate systems with tailored properties that can be integrated into future organic-based devices for molecular electronics and molecular spintronics applications.

Junctions comprised of ferromagnets and nonmagnetic materials are one of the key building blocks in spintronics. With the recent breakthroughs of spin injection in ferromagnet/graphene junctions it is possible to consider spin-based applications that are not limited to magnetoresistive effects. However, for critical studies of such structures it is crucial to establish accurate predictive methods that would yield atomically resolved information on interfacial properties. By focusing on Co(0001)/graphene junctions and their electronic structure, we illustrate the inequivalence of different spin polarizations. We show atomically resolved spin polarization maps as a useful approach to assess the relevance of Co(0001)/graphene for different spintronics applications.

Band structure engineering for specific electronic or optical properties is essential for the further development of many important technologies including thermoelectrics, optoelectronics, and microelectronics. In this work, we report orbital interaction as a powerful tool to finetune the band structure and the transport properties of charge carriers in bulk crystalline semiconductors. The proposed mechanism of orbital interaction on band structure is demonstrated for IV-VI thermoelectric semiconductors. For IV-VI materials, we find that the convergence of multiple carrier pockets not only displays a strong correlation with the s-p and spin-orbit coupling but also coincides with the enhancement of power factor. Our results suggest a useful path to engineer the band structure and an enticing solid-solution design principle to enhance thermoelectric performance.

In this article, we briefly summarize our results gained from recent density functional theory simulations aimed to investigate the interaction between organic materials containing π-electrons (i. e., several benzene-like molecules and graphene) with ferromagnetic surfaces. We show how the strong hybridization between the pz-electrons that initially form the π molecular orbitals with the magnetic d-states of the metal influences the spin polarization, the magnetic exchange coupling, and the magnetization direction at hybrid organic-ferromagnetic interface. From a practical perspective, these properties play a very important role for device applications based on organic materials and magnetic surfaces.

Obturator hernia rarely occurs; it represents less than 2% of all abdominal hernias. It is a protrusion of the preperitoneal fat tissue or peritoneal defect through the obturator channel. Rule is that it is a disease of skinny, older women (seventh or eighth decades), usually multiparous, predominantly right-sided, usually incarcerated, rarely diagnosed preoperatively. The clinical diagnosis is rarely set due to the unclear signs and symptoms. Because of the delayed diagnosis the postoperative morbidity and mortality is significantly increased. CT of the pelvis is almost 100% accurate in the diagnosis of the obturator hernias and should be the modality of choice in elderly patients with the bowel obstruction of an unknown etiology. We report a case of a 70 -yearold woman who had been admitted to our department on several occasions due to the suboclusive problems and the obturator hernia with a Meckel’s diverticulum was verified intraoperatively.

A novel heterometallic oxalate-based compound, {Ba2(H2O)5[TaO(C2O4)3]HC2O4}·H2O (1), was obtained by using an (oxalato)tantalate(V) aqueous solution as a source of the complex anion and characterized by X-ray single-crystal diffraction, IR spectroscopy, and thermal analysis. Compound 1 is a three-dimensional (3D) coordination polymer with the Ta atom connected to eight neighboring Ba atoms through the oxalate ligands and the oxo oxygen group. Thermal treatment of 1 up to 1200 °C leads to molecular precursor-to-material conversion that yields the mixed-metal γ-Ba4Ta2O9 phase. This high-temperature γ-Ba4Ta2O9 polymorph has the 6H-perovskite structure (space group P6(3)/m), in which the Ta2O9 face-sharing octahedral dimers are interconnected via corners to the regular BaO6 octahedra. To date, γ-Ba4Ta2O9 has never been obtained at room temperature, because of the reduction of symmetry (P6(3)/m → P2(1)/c) that usually occurs during the cooling. Spectroscopic, optical, photocatalytic, and electrical properties of the obtained γ-Ba4Ta2O9 phase were investigated. In addition to the experimental data, an absorption spectrum and band structure of the γ-Ba4Ta2O9 polymorph were calculated using density functional theory.