Conductivity in the Square Lattice Hubbard Model at High Temperatures: Importance of Vertex Corrections.

Recent experiments on cold atoms in optical lattices allow for a quantitative comparison of the measurements to the conductivity calculations in the square lattice Hubbard model. However, the available calculations do not give consistent results, and the question of the exact solution for the conductivity in the Hubbard model remained open. In this Letter, we employ several complementary state-of-the-art numerical methods to disentangle various contributions to conductivity and identify the best available result to be compared to experiment. We find that, at relevant (high) temperatures, the self-energy is practically local, yet the vertex corrections remain rather important, contrary to expectations. The finite-size effects are small even at the lattice size 4×4, and the corresponding Lanczos diagonalization result is, therefore, close to the exact result in the thermodynamic limit.

Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood-brain barrier penetration of α-adrenergic/imidazoline receptor ligands, and QSPR analysis.

For this study, 31 compounds, including 16 imidazoline/α-adrenergic receptor (IRs/α-ARs) ligands and 15 central nervous system (CNS) drugs, were characterized in terms of the retention factors (k) obtained using biopartitioning micellar and classical reversed phase chromatography (log kBMC and log kwRP, respectively). Based on the retention factor (log kwRP) and slope of the linear curve (S) the isocratic parameter (φ0) was calculated. Obtained retention factors were correlated with experimental log BB values for the group of examined compounds. High correlations were obtained between logarithm of biopartitioning micellar chromatography (BMC) retention factor and effective permeability (r(log kBMC/log BB): 0.77), while for RP-HPLC system the correlations were lower (r(log kwRP/log BB): 0.58; r(S/log BB): -0.50; r(φ0/Pe): 0.61). Based on the log kBMC retention data and calculated molecular parameters of the examined compounds, quantitative structure-permeability relationship (QSPR) models were developed using partial least squares, stepwise multiple linear regression, support vector machine and artificial neural network methodologies. A high degree of structural diversity of the analysed IRs/α-ARs ligands and CNS drugs provides wide applicability domain of the QSPR models for estimation of blood-brain barrier penetration of the related compounds.

Bad-Metal Behavior Reveals Mott Quantum Criticality in Doped Hubbard Models.

Bad-metal (BM) behavior featuring linear temperature dependence of the resistivity extending to well above the Mott-Ioffe-Regel (MIR) limit is often viewed as one of the key unresolved signatures of strong correlation. Here we associate the BM behavior with the Mott quantum criticality by examining a fully frustrated Hubbard model where all long-range magnetic orders are suppressed, and the Mott problem can be rigorously solved through dynamical mean-field theory. We show that for the doped Mott insulator regime, the coexistence dome and the associated first-order Mott metal-insulator transition are confined to extremely low temperatures, while clear signatures of Mott quantum criticality emerge across much of the phase diagram. Remarkable scaling behavior is identified for the entire family of resistivity curves, with a quantum critical region covering the entire BM regime, providing not only insight, but also quantitative understanding around the MIR limit, in agreement with the available experiments.

Quantum critical transport near the Mott transition.

We perform a systematic study of incoherent transport in the high temperature crossover region of the half filled one-band Hubbard model. We demonstrate that the family of resistivity curves displays characteristic quantum critical scaling of the form ρ(T, δU) = ρ(c)(T)f(T/T0(δU)), with T0(δU) ~ |δU|(zν), and ρ(c)(T) ~ T. The corresponding ß function displays a "strong coupling" form ß ~ ln(ρ(c)/ρ), reflecting the peculiar mirror symmetry of the scaling curves. This behavior, which is surprisingly similar to some experimental findings, indicates that Mott quantum criticality may be acting as the fundamental mechanism behind the unusual transport phenomena in many systems near the metal-insulator transition.

[Diagnosis of breast cancer in women age 40 and younger: mammography and breast ultrasound].

Breast cancer is the leading cause of mortality among women aged 25 to 44 years in Serbia. The purpose of this study was to determine basic clinical and radiological features of breast cancer in young women. 93 women aged 31.0 +/- 3.5 years with breast cancer were identified. The analysis included clinical characteristics (TNM classification) and radiological features (mammography and breast ultrasound). 53.8% of the patients had locoregional disease. The mean diameter of breast cancer was 2.6 +/- 6 cm. Carcinoma in situ was found in 2.2%. Mammography was performed in 25.8% of the patients and breast ultrasound in 68.8%. The results of our study indicate that the diagnosis of breast cancer in young women is late, in the stage with palpable breast tumor and lymph node metastases. Mammography or breast ultrasound are not routinely used. The implementation of algorithms for breast cancer detection and diagnosis in young women helps in earlier detection of breast cancer and consequently improves outcomes.