Symmetry adapted ro-vibrational basis functions for variational nuclear motion calculations: TROVE approach

We present a general, numerically motivated approach to the construction of symmetry adapted basis functions for solving ro-vibrational Schr\"{o}dinger equations. The approach is based on the property of the Hamiltonian operator to commute with the complete set of symmetry operators and hence to reflect the symmetry of the system. The symmetry adapted ro-vibrational basis set is constructed numerically by solving a set of reduced vibrational eigenvalue problems. In order to assign the irreducible representations associated with these eigenfunctions, their symmetry properties are probed on a grid of molecular geometries with the corresponding symmetry operations. The transformation matrices are re-constructed by solving over-determined systems of linear equations related to the transformation properties of the corresponding wavefunctions on the grid. Our method is implemented in the variational approach TROVE and has been successfully applied to a number of problems covering the most important molecular symmetry groups. Several examples are used to illustrate the procedure, which can be easily applied to different types of coordinates, basis sets, and molecular systems

Influence of palm oil enriched diet on the morphofunctional condition of rats mandibular condylar cartilage

The aim of the study was to establish the morpho-functional condition of mandibular condylar cartilage in white rats of different ages under conditions of excessive use of palm oil and to assess the possibility of correcting the identified changes using the Garcinia Cambogia extrac

Role and responsibilities of a teacher in the lifelong learning sector

Teaching is quite challenging and demanding alongside with many other careers. The main role of every teacher is to involve and engage your students in learning activities. An appropriate level of language, appropriate terms understandable to your students will motivate them to learn mor

Preclinical Evaluation of Antitumor Efficacy of a New Radiopharmaceutical Based on Thermoresponsive Carrier and Samarium-153

This work is devoted to studying the in vivo antitumor efficacy of the new injection radiopharmaceutical based on thermoresponsive polymer and β−-emitting radionuclide samarium-153 (153Sm-KARP-CheM). The study of in vivo antitumor efficacy was performed using mice F1 and C57Bl/6 with transplanted subcutaneously sarcoma S37 and melanoma B16, respectively. The animals received single intratumoral bolus injections of 37 MBq (1 mCi), or 18.5 MBq (0.5 mCi) of 153Sm-KARP-CheM, or saline in a volume 0.1 ml. The efficacy of antitumortreatment was evaluated using tumor growth inhibition index (TGI, %) and increase of average life span (ILS, %). The most meaningful therapeutic efficacy after intratumoral injection of 153Sm-KARPCheM was observed in melanoma-bearing mice C57Bl/6. The highest values of TGI for melanoma B16 were 79.5% and 79.6% after treatment with 18.5 MBq or 37 MBq, respectively. An increase of average life span by 17.1% was found in group of melanoma-bearing mice treated with 37 MBq of 153Sm-KARP-CheM only. Tumor growth inhibition of sarcoma S37 was slightly lower as compared with melanoma B16: 62.5% and 59.0% in 37 MBq and 18.5 MBq groups, respectively. 153Sm-KARP-CheM didn’t increase average life span of treated animals. In conclusion, 153Sm-KARP-CheM seems to be effective radiopharmaceutical for local tumor radiotherapy. Keywords: thermoresponsive polymer, samarium-153, radionuclide therapy of cancer, sarcoma S37, melanoma B16, antitumor efficacy

Quantum correlations and distinguishability of quantum states

A survey of various concepts in quantum information is given, with a main emphasis on the distinguishability of quantum states and quantum correlations. Covered topics include generalized and least square measurements, state discrimination, quantum relative entropies, the Bures distance on the set of quantum states, the quantum Fisher information, the quantum Chernoff bound, bipartite entanglement, the quantum discord, and geometrical measures of quantum correlations. The article is intended both for physicists interested not only by collections of results but also by the mathematical methods justifying them, and for mathematicians looking for an up-to-date introductory course on these subjects, which are mainly developed in the physics literature.Comment: Review article, 103 pages, to appear in J. Math. Phys. 55 (special issue: non-equilibrium statistical mechanics, 2014

Volume of the quantum mechanical state space

The volume of the quantum mechanical state space over $n$-dimensional real, complex and quaternionic Hilbert-spaces with respect to the canonical Euclidean measure is computed, and explicit formulas are presented for the expected value of the determinant in the general setting too. The case when the state space is endowed with a monotone metric or a pull-back metric is considered too, we give formulas to compute the volume of the state space with respect to the given Riemannian metric. We present the volume of the space of qubits with respect to various monotone metrics. It turns out that the volume of the space of qubits can be infinite too. We characterize those monotone metrics which generates infinite volume.Comment: 17 page

Colossal variations in the thermopower and n-p conductivity switching in topological tellurides under pressure

Under applied high pressure, the electronic, optical, structural, and other properties of narrow-bandgap telluride semiconductors are subjected to dramatic changes. They can include, for instance, structural and electronic topological transitions. In this work, we investigated the electronic properties of single crystals of three families of tellurides, namely, HgTe, PbTe, and Bi2Te3 by measurements of the thermoelectric power (the Seebeck coefficient) and electrical resistance under high pressure up to 10 GPa. The applied pressure led to spectacular variations in the electronic transport of all three tellurides. We addressed these effects to electronic topological transitions that could be driven by significant narrowing of the bandgaps in the normal-pressure phases of these compounds. In particular, at about 1 GPa, we observed an n-p switching in the conductivity of HgTe, which was well reproducible under multiple pressure cycling. In contrast, in PbTe, we found that an electronic topological transition irreversibly turns the conductivity from p- to n-type. An electronic topological Lifshitz transition in p-type Bi2Te3 crystals with a low carrier concentration enhanced the n-type conductivity in a narrow pressure region about 2-3 GPa and resulted in a double p-n-p conductivity inversion. An irreversible p-n conductivity switching in p-type Bi2Te3 happened already on decompression from a high-pressure phase from about 8 GPa. The stress-controlled p-n inversions of the electrical conductivity in these industrially important telluride materials can potentially find emergent applications in micro- and nanoelectronics. © 2020 Author(s).The research was supported by a grant of Ministry of Science and Higher Education of the Russian Federation No. 075-15-2020-797 (13.1902.21.0024)

Bures volume of the set of mixed quantum states

We compute the volume of the N^2-1 dimensional set M_N of density matrices of size N with respect to the Bures measure and show that it is equal to that of a N^2-1 dimensional hyper-halfsphere of radius 1/2. For N=2 we obtain the volume of the Uhlmann 3-D hemisphere, embedded in R^4. We find also the area of the boundary of the set M_N and obtain analogous results for the smaller set of all real density matrices. An explicit formula for the Bures-Hall normalization constants is derived for an arbitrary N.Comment: 15 revtex pages, 2 figures in .eps; ver. 3, Eq. (4.19) correcte

Tickborne Pathogen Detection, Western Siberia, Russia

Ixodes and Dermacentor ticks harbor Borrelia, Anaplasma/Ehrlichia, Bartonella, and Babesia species

Isolation of two strains of West Nile virus during an outbreak in southern Russia, 1999.

From July to September 1999, a widespread outbreak of meningoencephalitis associated with West Nile virus (Flavivirus, Flaviviridae) occurred in southern Russia, with hundreds of cases and dozens of deaths. Two strains of West Nile virus isolated from patient serum and brain-tissue samples reacted in hemagglutination-inhibition and neutralization tests with patients' convalescent-phase sera and immune ascites fluid from other strains of West Nile virus