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The atomic structure and charge redistribution of different terminations of BaZrO3 011 surfaces have been studied using density functional simulations. We found that the O-terminated 011 flat surface had the smallest cleavage energy among 011 surfaces, but this value was still twice as large as for the formation of a pair of complimentary 001 surfaces. The density functional calculations allowe...

In the hybrid sulfur (HyS) cycle, reaction between SO2 and H2O is manipulated to produce hydrogen with water sulfuric acid as by-products. However, poisoning of catalyst has been widely reported occur in this which due strong chemisorption on metal surface. The catalysts may deactivate a result these impurities present reactants or incorporated during its preparation operation HyS cycle. Here, ...

OBJECTIVES To study the hypothesis that gemcitabine treatment augments the chemoresistance to gemcitabine by clusterin (sCLU) upregulation. Clusterin inhibition could augment the chemosensitivity of human pancreatic cancer cells by inhibition of clusterin-dependent pERK1/2 activation. METHODS Clusterin was silenced by serial concentration of OGX-011 transfection in pancreatic cancer MIAPaCa-2...

This paper reports that the in situ growth magnetic field (Hg) during magnetic-phase CoFeB deposition impacts electric-field control of anisotropy Co40Fe40B20/(011)-Pb(Mg1/3Nb2/3)0.7Ti0.3O3 [CoFeB/(011)-PMN-PT] composite multiferroic heterostructures at room temperature. In Hg1 mode (in Hg along [011¯] direction ferroelectric PMN-PT substrate), electric-field-controlled modulation ratios coerci...

Multi-target drug design, in which drugs are designed as single molecules to simultaneously modulate multiple physiological targets, is an important strategy in the field of drug discovery. QT-011, a tamibarotene-furoxan derivative, was here prepared and proposed to exert synergistic effects on antileukemia by releasing nitric oxide and tamibarotene. Compared with tamibarotene itself, QT-011 di...

We present and discuss the results of calculations of surface relaxation and rumpling on SrTiO3 (001) and (011) surfaces. We consider both SrO and TiO2 terminations of the (001) surface, and three terminations (Sr, TiO and O) of the polar (011) surface. The calculations are based on hybrid Hartree-Fock and density-functional theory exchange functionals, using Becke’s three-parameter method, com...