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Sample records for kultuuritehases koguneb uus

  1. Theoretical studies of atomic properties and chemical stabilities in acid solutions of element Uus (Z=117) and Astatine

    NASA Astrophysics Data System (ADS)

    Chang, Z. W.; Li, J. G.; Dong, C. Z.

    2012-11-01

    Multi-configuration Dirac-Fock (MCDF) method was employed to calculate the first five ionization potentials, electron affinities, resonance excitation energies, oscillator strengths and radii for the element Uus and its homologue At. Main valence correlation effects were taken into account. The Breit interaction and QED effects were also estimated. The uncertainties of calculated IPs, EAs and IR for Uus and At were reduced through an extrapolation procedure. The good consistency with available experimental and other theoretical values demonstrates the validity of the present results. These theoretical data were further used to predict the chemical stabilities of element Uus and At in acid solutions.

  2. Ionization potentials, electron affinities, resonance excitation energies, oscillator strengths, and ionic radii of element Uus (Z = 117) and astatine.

    PubMed

    Chang, Zhiwei; Li, Jiguang; Dong, Chenzhong

    2010-12-30

    Multiconfiguration Dirac-Fock (MCDF) method was employed to calculate the first five ionization potentials, electron affinities, resonance excitation energies, oscillator strengths, and radii for the element Uus and its homologue At. Main valence correlation effects were taken into account. The Breit interaction and QED effects were also estimated. The uncertainties of calculated IPs, EAs, and IR for Uus and At were reduced through an extrapolation procedure. The good consistency with available experimental and other theoretical values demonstrates the validity of the present results. These theoretical data therefore can be used to predict some unknown physicochemical properties of element Uus, Astatine, and their compounds. PMID:21141866

  3. Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4](-) (X = F, CI, Br, I, At, Uus)

    SciTech Connect

    Li, Wan-Lu; Li, Yong; Xu, Congqiao; Wang, Xue B.; Vorpagel, Erich R.; Li, Jun

    2015-12-07

    Systematic theoretical and experimental investigations have been performed to understand the periodicity and electronic structures of trivalent-gold halides using gold tetrahalides [AuX4]⁻ anions (X = F, Cl, Br, I, At, Uus). The [AuX4]⁻ (X = Cl, Br, I) anions were produced in gas phase and their negative-ion photoelectron spectra were obtained, which exhibited rich and well-resolved spectral peaks. We calculated the adiabatic as well as vertical electron detachment energies using density functional methods with scalar and spin-orbit coupling relativistic effects. The simulated photoelectron spectra based on these calculations are in good agreement with the experimental spectra. Our results show that the trivalent Au(III) oxidation state becomes progressively less stable while Au(I) is preferred when the halides become heavier along the Period Table. This trend reveals that the oxidation state of metals in complexes can be manipulated through ligand design

  4. Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4]- (X = F, Cl, Br, I, At, Uus).

    PubMed

    Li, Wan-Lu; Li, Yong; Xu, Cong-Qiao; Wang, Xue-Bin; Vorpagel, Erich; Li, Jun

    2015-12-01

    Systematic theoretical and experimental investigations have been performed to understand the periodicity, electronic structures, and bonding of gold halides using tetrahalide [AuX4](-) anions (X = F, Cl, Br, I, At, Uus). The [AuX4](-) (X = Cl, Br, I) anions were experimentally produced in the gas phase, and their negative-ion photoelectron spectra were obtained, exhibiting rich and well-resolved spectral peaks. As expected, Au-X bonds in such series contain generally increasing covalency when halogen ligands become heavier. We calculated the adiabatic electron detachment energies as well as vertical electron detachment energies using density functional theory methods with scalar relativistic and spin-orbit coupling effects. The computationally simulated photoelectron spectra are in good agreement with the experimental ones. Our results show that the trivalent Au(III) oxidation state becomes progressively less stable while Au(I) tends to be preferred when the halides become heavier along the Periodic Table. This series of molecules provides an example for manipulating the oxidation state of metals in complexes through ligand design. PMID:26550845

  5. In-situ characterization of dense non-aqueous phase liquids uUsing partitioning tracers. 1998 annual progress report

    SciTech Connect

    Pope, G.A.

    1998-06-01

    'Major advances have been made during the past year in research on interwell partitioning tracers tests (PITTs). These advances include: (1) progress on the inverse problem of how to estimate the three-dimensional distribution of NAPL in aquifers from the tracer data, (2) the first ever partitioning tracer experiments in dual porosity media, (3) the first modeling of partitioning tracers in dual porosity media, (4) experiments with complex NAPLs such as coal tar, (5) the development of an accurate and simple method to predict partition coefficients using the equivalent alkane carbon number approach, (6) partitioning tracer experiments in large model aquifers with permeability layers, (7) the first ever analysis of partitioning tracer data to estimate the change in composition of a NAPL before and after remediation, (8) the first ever analysis of partitioning tracer data after a field demonstration of surfactant foam to remediate NAPL, and (9) experiments at elevated temperatures. The authors have developed a new analytic approach that has several advantages over existing approaches for inversion of tracer data. First, the technique utilizes an extremely efficient three-dimensional multiphase streamline simulator as a forward model. Second, the parameter sensitivities are formulated in terms of one-dimensional integrals of analytic functions along the streamlines. Thus, the computation of sensitivities for all model parameters requires only a single simulation run to construct the velocity field and generate the streamlines. The inversion of tracer data is then performed using a two-step iterative linearization that involves first lining-up the breakthrough times at the producing wells and then matching the production history. Their approach follows from an analogy between streamlines and ray tracing in seismology. The inverse method is analogous to seismic waveform inversion and thus, allows them to utilize efficient methods from geophysical imaging. The new approach has been applied for estimating permeability distribution based on conservative tracer tests (D.W. Vasco and A. Datta-Gupta: ``Asymptotic Solutions for Solute Transport: A Formalism for Tracer Tomography,'''' Submitted to Water Resources Research, December 1997), and is currently being extended for analysis of partitioning tracer data.'

  6. A Study of Kinematics Modeling and the Computational Optimization of the Human Underwater Undulatory Kick by Comparison of Swimmers and Body Orientations

    NASA Astrophysics Data System (ADS)

    Zhu, Xiaoran; Liu, Geng; Ren, Yan; Dong, Haibo; Flow Simulation Research Group Team

    2014-11-01

    Underwater Undulatory Swimming (UUS), better known as the underwater dolphin kick, is the most important technique in competitive swimming. Faster than three of the four strokes in swimming, UUS is permitted in the 15 m after dives and turns. In this study, we compared the UUS of a college-level swimmer and a younger swimmer. 3D human models were built and reconstructed using stereo-videos for identifying key components of undulatory kick kinematics with respect to strongly flexing joints. A gradient-based optimizer and an immersed boundary method based CFD solver was then used to study the hydrodynamic performance of each swimmer. Optimal settings of current kinematic models will help us to understand the efficiency of the observed undulatory kick mechanisms and further improvements of the human UUS strategy. This work is supported by NSF CEBT-1313217 and UVa HooS-STER program.

  7. Effect of imposing changes in kick frequency on kinematics during undulatory underwater swimming at maximal effort in male swimmers.

    PubMed

    Shimojo, Hirofumi; Sengoku, Yasuo; Miyoshi, Tasuku; Tsubakimoto, Shozo; Takagi, Hideki

    2014-12-01

    Undulatory underwater swimming (UUS) is an important swimming technique after a start and after turns. It was considered that a higher swimming velocity (U) resulted from a higher kick frequency (f), and greater propelling efficiency, i.e., Strouhal number (St) and Froude efficiency (ηF), resulted from a lower f. The aim of this study was to investigate whether changing f affected U and St, ηF plus other kinematics of UUS. Ten national-level male swimmers participated in the study. First, the swimmers performed maximal UUS (Pre; this f was defined as 100% F). Second, the swimmers synchronized their f with the sound of a metronome and with six frequencies (85% F, 90% F, 95% F, 105% F, 110% F, and 115% F) randomly presented. During the higher f sessions, kick amplitude (A) significantly decreased from Pre (115% F: -10.8%, p<.05); however, U was unchanged. In contrast, in lower f sessions, St and ηF were unchanged, but the wavelength per body length (λBL), which indicates UUS mode, significantly decreased (90% F: -1.3%, p<.05). In conclusion, these results suggest that increasing f for UUS would not affect U, but a decrease in f may be suitable for human undulation training. PMID:25278097

  8. Assessing quality of urban underground spaces by coupling 3D geological models: The case study of Foshan city, South China

    NASA Astrophysics Data System (ADS)

    Hou, Weisheng; Yang, Liang; Deng, Dongcheng; Ye, Jing; Clarke, Keith; Yang, Zhijun; Zhuang, Wenming; Liu, Jianxiong; Huang, Jichun

    2016-04-01

    Urban underground spaces (UUS), especially those containing natural resources that have not yet been utilized, have been recognized as important for future sustainable development in large cities. One of the key steps in city planning is to estimate the quality of urban underground space resources, since they are major determinants of suitable land use. Yet geological constraints are rarely taken into consideration in urban planning, nor are the uncertainties in the quality of the available assessments. Based on Fuzzy Set theory and the analytic hierarchy process, a 3D stepwise process for the quality assessment of geotechnical properties of natural resources in UUS is presented. The process includes an index system for construction factors; area partitioning; the extraction of geological attributes; the creation of a relative membership grade matrix; the evaluation of subject and destination layers; and indeterminacy analysis. A 3D geological model of the study area was introduced into the process that extracted geological attributes as constraints. This 3D geological model was coupled with borehole data for Foshan City, Guangdong province, South China, and the indeterminacies caused by the cell size and the geological strata constraints were analyzed. The results of the case study show that (1) a relatively correct result can be obtained if the cell size is near to the average sampling distance of the boreholes; (2) the constraints of the 3D geological model have a major role in establishing the UUS quality level and distribution, especially at the boundaries of the geological bodies; and (3) the assessment result is impacted by an interaction between the cell resolution and the geological model used.

  9. Uterine sarcoma Part II-Uterine endometrial stromal sarcoma: The TAG systematic review.

    PubMed

    Horng, Huann-Cheng; Wen, Kuo-Chang; Wang, Peng-Hui; Chen, Yi-Jen; Yen, Ming-Shyen; Ng, Heung-Tat

    2016-08-01

    Endometrial stromal tumors are rare uterine tumors (<1%). Four main categories include endometrial stromal nodule, low-grade endometrial stromal sarcoma (LG-ESS), high-grade endometrial stromal sarcoma (HG-ESS), and uterine undifferentiated sarcoma (UUS). This review is a series of articles discussing the uterine sarcomas. LG-ESS, a hormone-dependent tumor harboring chromosomal rearrangement, is an indolent tumor with a favorable prognosis, but characterized by late recurrences even in patients with Stage I disease, suggesting the requirement of a long-term follow-up. Patients with HG-ESS, based on the identification of YWHAE-NUTM2A/B (YWHAE-FAM22A/B) gene fusion, typically present with advanced stage diseases and frequently have recurrences, usually within a few years after initial surgery. UUS is, a high-grade sarcoma, extremely rare, lacking a specific line of differentiation, which is a diagnosis of exclusion (the wastebasket category, which fails to fulfill the morphological and immunohistochemical criteria of translocation-positive ESS). Surgery is the main strategy in the management of uterine sarcoma. Due to rarity, complex biological characteristics, and unknown etiology and risk factors of uterine sarcomas, the role of adjuvant therapy is not clear. Only LG-ESS might respond to progestins or aromatase inhibitors. PMID:27590366

  10. Prolapse-free relativistic Gaussian basis sets for the superheavy elements up to Uuo (Z = 118) and Lr (Z = 103)

    SciTech Connect

    Macedo, Luiz Guilherme M de Borin, Antonio Carlos; Silva, Alberico B.F. da

    2007-11-15

    Prolapse-free basis sets suitable for four-component relativistic quantum chemical calculations are presented for the superheavy elements up to {sub 118}Uuo ({sub 104}Rf, {sub 105}Db, {sub 106}Sg, {sub 107}Bh, {sub 108}Hs, {sub 109}Mt, {sub 110}Ds, {sub 111}Rg, {sub 112}Uub, {sub 113}Uut, {sub 114}Uuq, {sub 115}Uup, {sub 116}Uuh, {sub 117}Uus, {sub 118}Uuo) and {sub 103}Lr. These basis sets were optimized by minimizing the absolute values of the energy difference between the Dirac-Fock-Roothaan total energy and the corresponding numerical value at a milli-Hartree order of magnitude, resulting in a good balance between cost and accuracy. Parameters for generating exponents and new numerical data for some superheavy elements are also presented.

  11. Genomic landscape of endometrial stromal sarcoma of uterus

    PubMed Central

    Kim, Min Sung; Baek, In-Pyo; Rhee, Jae-Keun; Lee, Sung Hak; Hur, Soo Young; Kim, Tae-Min; Chung, Yeun-Jun; Lee, Sug Hyung

    2015-01-01

    Although recurrent gene fusions such as JAZF1-JJAZ1 are considered driver events for endometrial stromal sarcoma (ESS) development, other genomic alterations remain largely unknown. In this study, we performed whole-exome sequencing, transcriptome sequencing and copy number profiling for five ESSs (three low-grade ESS (LG-ESS) and two undifferentiated uterine sarcomas (UUSs)). All three LG-ESSs exhibited either one of JAZF1-SUZ12, JAZF1-PHF1 and MEAF6-PHF1 fusions, whereas the two UUSs did not. All ESSs except one LG-ESS exhibited copy number alterations (CNAs), many of which encompassed cancer-related genes. In UUSs, five CNAs encompassing cancer-related genes (EZR, CDH1, RB1, TP53 and PRKAR1A) accompanied their expressional changes, suggesting that they might stimulate UUS development. We found 81 non-silent mutations (35 from LG-ESSs and 46 from UUSs) that included 15 putative cancer genes catalogued in cancer-related databases, including PPARG and IRF4 mutations. However, they were non-recurrent and did not include any well-known mutations, indicating that point mutations may not be a major driver for ESS development. Our data show that gene fusions and CNAs are the principal drivers for LG-ESS and USS, respectively, but both may require additional genomic alterations including point mutations. These differences may explain the different biologic behaviors between LG-ESS and UUS. Our findings suggest that ESS development requires point mutations and CNAs as well as the gene fusions. PMID:26429873

  12. Genomic landscape of endometrial stromal sarcoma of uterus.

    PubMed

    Choi, Youn Jin; Jung, Seung-Hyun; Kim, Min Sung; Baek, In-Pyo; Rhee, Jae-Keun; Lee, Sung Hak; Hur, Soo Young; Kim, Tae-Min; Chung, Yeun-Jun; Lee, Sug Hyung

    2015-10-20

    Although recurrent gene fusions such as JAZF1-JJAZ1 are considered driver events for endometrial stromal sarcoma (ESS) development, other genomic alterations remain largely unknown. In this study, we performed whole-exome sequencing, transcriptome sequencing and copy number profiling for five ESSs (three low-grade ESS (LG-ESS) and two undifferentiated uterine sarcomas (UUSs)). All three LG-ESSs exhibited either one of JAZF1-SUZ12, JAZF1-PHF1 and MEAF6-PHF1 fusions, whereas the two UUSs did not. All ESSs except one LG-ESS exhibited copy number alterations (CNAs), many of which encompassed cancer-related genes. In UUSs, five CNAs encompassing cancer-related genes (EZR, CDH1, RB1, TP53 and PRKAR1A) accompanied their expressional changes, suggesting that they might stimulate UUS development. We found 81 non-silent mutations (35 from LG-ESSs and 46 from UUSs) that included 15 putative cancer genes catalogued in cancer-related databases, including PPARG and IRF4 mutations. However, they were non-recurrent and did not include any well-known mutations, indicating that point mutations may not be a major driver for ESS development. Our data show that gene fusions and CNAs are the principal drivers for LG-ESS and USS, respectively, but both may require additional genomic alterations including point mutations. These differences may explain the different biologic behaviors between LG-ESS and UUS. Our findings suggest that ESS development requires point mutations and CNAs as well as the gene fusions. PMID:26429873

  13. Spin-orbit coupling calculations with the two-component normalized elimination of the small component method

    NASA Astrophysics Data System (ADS)

    Filatov, Michael; Zou, Wenli; Cremer, Dieter

    2013-07-01

    A new algorithm for the two-component Normalized Elimination of the Small Component (2cNESC) method is presented and tested in the calculation of spin-orbit (SO) splittings for a series of heavy atoms and their molecules. The 2cNESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac SO splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000), 10.1103/PhysRevB.62.7809]. The use of the screened nucleus potential for the two-electron SO interaction leads to accurate spinor energy splittings, for which the deviations from the accurate Dirac Fock-Coulomb values are on the average far below the deviations observed for other effective one-electron SO operators. For hydrogen halides HX (X = F, Cl, Br, I, At, and Uus) and mercury dihalides HgX2 (X = F, Cl, Br, I) trends in spinor energies and SO splittings as obtained with the 2cNESC method are analyzed and discussed on the basis of coupling schemes and the electronegativity of X.

  14. Development of utricular otoliths, but not saccular otoliths, is necessary for vestibular function and survival in zebrafish

    NASA Technical Reports Server (NTRS)

    Riley, B. B.; Moorman, S. J.

    2000-01-01

    We have been studying the consequences of embryonic vestibular dysfunction caused by the monolith (mnl) mutation in zebrafish. mnl is a dominant mutation that specifically inhibits formation of utricular otoliths. However, briefly immobilizing mnl/mnl embryos in agarose with the otic vesicle orientated at certain angles selectively induces or prevents formation of utricular and/or saccular otoliths. With this noninvasive technique, we generated six phenotypic classes of mnl/mnl mutants, designated S-S, U-U, U-S, S-US, U-US, and US-US, depending on which otoliths are present on each side (U, utricular otolith; S, saccular otolith). All mnl/mnl larvae survived through day 10 of development. Thereafter, S-S larvae showed a rapid decline, probably because of starvation, and none survived to adulthood. Survival rates in all other classes of mnl/mnl larvae (those having at least one utricular otolith) were close to normal. The presence or absence of utricular otoliths also correlated with vestibular function during early larval development, as measured by three criteria: First, unlike wild-type larvae, S-S mutant larvae showed almost no detectable counter-rotation of the eyes when tilted tail up or tail down. Second, 95% of S-S mutant larvae never acquired the ability to maintain a balanced dorsal-up posture. Third, although most wild-type larvae responded to gentle prodding by swimming in a straight line, S-S larvae responded by swimming in rapid circles, showing sudden and frequent changes in direction ("zigzagging"), and/or rolling and spiraling. All other phenotypic classes of mnl/mnl larvae behaved normally in these assays. These data demonstrate that bilateral loss of utricular otoliths disrupts the ability to sense gravity, severely impairs balance and motor coordination, and is invariably lethal. The presence of a utricular otolith in at least one inner ear is necessary and sufficient for vestibular function and survival. In contrast, saccular otoliths are