729 research outputs found

    Характеристика механизма функционирования форм хозяйствования с иностранными инвестициями

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    Механизм функционирования предприятия с иностранными инвестициями неразрывно связан с понятиями "хозяйственный механизм" и "механизм функционирования предприятия". В экономической науке советского периода широко применялся термин "хозяйственный механизм". Рассматривался хозяйственный механизм отдельного предприятия, отрасли, экономики страны в целом, то есть рассматривался хозяйственный механизм экономических систем различного уровня

    Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape

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    Understanding molecular recognition of small molecules by proteins in atomistic detail is key for drug design. Molecular docking is a widely used computational method to mimic ligand-protein association in silico. However, predicting conformational changes occurring in proteins upon ligand binding is still a major challenge. Ensemble docking approaches address this issue by considering a set of different conformations of the protein obtained either experimentally or from computer simulations, e.g., molecular dynamics. However, holo structures prone to host (the correct) ligands are generally poorly sampled by standard molecular dynamics simulations of the apo protein. In order to address this limitation, we introduce a computational approach based on metadynamics simulations called ensemble docking with enhanced sampling of pocket shape (EDES) that allows holo-like conformations of proteins to be generated by exploiting only their apo structures. This is achieved by defining a set of collective variables that effectively sample different shapes of the binding site, ultimately mimicking the steric effect due to the ligand. We assessed the method on three challenging proteins undergoing different extents of conformational changes upon ligand binding. In all cases our protocol generates a significant fraction of structures featuring a low RMSD from the experimental holo geometry. Moreover, ensemble docking calculations using those conformations yielded in all cases native-like poses among the top-ranked ones

    34* Tracheal structure abnormalities in Cftr-/- knockout mice

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    Individual training at the undergraduate level to promote competence in breaking bad news in oncology

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    Training medical students in breaking bad news (BBN) in oncology may be key to improve patient care in an area where many physicians tend to be uncomfortable. Given the lack of evidence in the literature, this study aimed to assess empirically the impact of 2 teaching strategies to prepare students for the task of BBN in oncology: one-to-one simulated patient (SP) training with individual feedback (intervention group) vs small-group SP training with collective feedback (comparison group). Fourth-year students (N = 236) were randomly assigned to the intervention or comparison group. The SP videotaped interviews were analyzed with respect to BBN communication performance, rated using the Calgary-Cambridge checklist of teaching objectives for BBN; verbal interaction behaviors, coded with the Roter interaction analysis system; and 7 nonverbal behaviors. Students in the intervention group scored significantly higher after than before the training on the overall evaluation of the interview (P < .001) as well as on process skills (P < .001); they also obtained significantly higher scores compared to students in the comparison group on the overall evaluation of the interview (P < .001) and on process skills (P < .001). This study supports an individualized BBN teaching strategy and contributes to efforts to find the best way to train and reach the largest number of future physicians to improve communication competences in oncology

    Effect of lensing non-Gaussianity on the CMB power spectra

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    Observed CMB anisotropies are lensed, and the lensed power spectra can be calculated accurately assuming the lensing deflections are Gaussian. However, the lensing deflections are actually slightly non-Gaussian due to both non-linear large-scale structure growth and post-Born corrections. We calculate the leading correction to the lensed CMB power spectra from the non-Gaussianity, which is determined by the lensing bispectrum. The lowest-order result gives ∼0.3% corrections to the BB and EE polarization spectra on small-scales, however we show that the effect on EE is reduced by about a factor of two by higher-order Gaussian lensing smoothing, rendering the total effect safely negligible for the foreseeable future. We give a simple analytic model for the signal expected from skewness of the large-scale lensing field; the effect is similar to a net demagnification and hence a small change in acoustic scale (and therefore out of phase with the dominant lensing smoothing that predominantly affects the peaks and troughs of the power spectrum)

    Предопухолевая патология молочных желез в различных этнических популяциях населения Крыма

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    Серед жіночого населення АРК виявлені популяції із украй високою захворюваністю РМЖ (армянки - 114,25); з високою захворюваністю (слов’янки - 65,21); а також з відносно низькою захворюваністю (кримські татарки - 41,99 на 100 тис. відповідного жіночого населення; р < 0,001). Порівняльний аналіз поширеності доброякісної патології в 531 пацієнтки (399 слов’янок, 69 татарок, 63 армянки) показав, що вірогідно найбільш частими захворюваннями у вірменській популяції з високою захворюваністю РМЖ є кисты молочних залоз (Р=0,033) і вузлова форма фиброзно-кистозной хвороби (Р=0,040), які, очевидно, можна відносити до предраковой патології.In Crimean woman there are populations with very high Breast Cancer incidence (Armenians - 114,25); with high incidence (Slavs - 65,21); and with lowest incidence (Tatars - 41,99 in 100 000 woman populations; р < 0,001). In 531 patients (399 Slavs, 69 Tatars, 63 Armenians) more freqwently was diagnosed Breast Cysts (Р=0,033) and Nodular Fibrocystic disease (Р=0,040) in Armenian ethnic group with very high Breast Cancer incidence. Breast Cysts and Nodular Fibrocystic disease only are precancerous diseases of the Breast

    Tuning Properties of Iron Oxide Nanoparticles in Aqueous Synthesis without Ligands to Improve MRI Relaxivity and SAR.

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    Aqueous synthesis without ligands of iron oxide nanoparticles (IONPs) with exceptional properties still remains an open issue, because of the challenge to control simultaneously numerous properties of the IONPs in these rigorous settings. To solve this, it is necessary to correlate the synthesis process with their properties, but this correlation is until now not well understood. Here, we study and correlate the structure, crystallinity, morphology, as well as magnetic, relaxometric and heating properties of IONPs obtained for different durations of the hydrothermal treatment that correspond to the different growth stages of IONPs upon initial co-precipitation in aqueous environment without ligands. We find that their properties were different for IONPs with comparable diameters. Specifically, by controlling the growth of IONPs from primary to secondary particles firstly by colloidal and then also by magnetic interactions, we control their crystallinity from monocrystalline to polycrystalline IONPs, respectively. Surface energy minimization in the aqueous environment along with low temperature treatment is used to favor nearly defect-free IONPs featuring superior properties, such as high saturation magnetization, magnetic volume, surface crystallinity, the transversal magnetic resonance imaging (MRI) relaxivity (up to r₂ = 1189 mM(-1)·s(-1) and r₂/r₁ = 195) and specific absorption rate, SAR (up to 1225.1 W·gFe(-1))

    Weak Hyperon Decays: Quark Sea and SU(3) Symmetry Breaking

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    An explanation of the difference in the values of the apparent f/df/d ratios for the S- and P- wave amplitudes of nonleptonic hyperon decays is proposed. The argument is formulated in the framework of the standard pole model with (56,0+)(56,0^{+}) ground-state and (70,1)(70,1^{-}) excited baryons as intermediate states for the P- and S- waves respectively. Under the assumption that the dominant part of the deviation of (f/d)Pwave(f/d)_{P-wave} from 1-1 is due to large quark sea effects, SU(3)SU(3) symmetry breaking in energy denominators is shown to lead to a prediction for (f/d)Swave(f/d)_{S-wave} which is in excellent agreement with experiment. This corroborates our previous unitarity calculations which indicated that the matrix elements of the parity conserving weak Hamiltonian between the ground-state baryons are characterized by f0/d01.6f_{0}/d_{0} \approx -1.6 or more. A brief discussion of the problem of the relative size of S- and P- wave amplitudes is given. Finally, implications for weak radiative hyperon decays are also discussed.Comment: 26 pages, LATEX, 1647/PH IFJ Krako
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