“
“The dependences

of the structural, electronic, mechanical, and thermodynamic properties of AlSc2 compound on pressure were investigated for the first time by means of the first-principles method based on the density functional theory with generalized gradient approximation and local density approximation. It was found that the pressure has significant effects on the equilibrium volume, mechanical Cl-amidine chemical structure properties, electronic properties and the heat capacity. Our calculated structural data are in good agreement with the previous experimental and theoretical data results. The calculated elastic constants indicate that the AlSc2 compound is mechanically stable in the pressure range of 0-50 GPa. The Zener ratio A and linear compressibility coefficients k(c)/k(a) are used to estimate anisotropic elasticity. The isotropic bulk modulus

B, PD173074 Angiogenesis inhibitor shear modulus G, Young’s modulus E, and Poisson’s ratio nu of polycrystalline AlSc2 compound were determined using the Voigt-Reuss-Hill averaging scheme. The B/G, Poisson’s ratio and microhardness parameter are calculated. The band structure and density of states are also discussed. The Debye temperature can be obtained from the elastic constants and the sound velocities and the pressure has little influence. The temperature-dependent behavior of thermodynamical properties (internal energy, entropy, free energy, and heat capacity) at 0, 20, and 40 GPa have been obtained from phonon density of states. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3622340]“
“Ganoderic acid (GA) is a kind of important bioactive triterpenoid with anti-cancer effect. 7-O-Ethyl ganoderic acid O (7-O-ethyl GA-O) was recently found to be a promising target for mass production of bioactive individual GA due to its high content. However, its apparent degradation was observed during preparation procedures. In this research, Kinase Inhibitor Library to understand and control its degradation process during the preparative isolation, a systematic kinetic investigation on 7-O-ethyl GA-O stability was done not only under different conditions of pH and temperature, but in different solvents as well. 7-O-Ethyl GA-O was proved to possess an optimal stability in neutral

and non-polar environment. Its degradation kinetics and thermodynamics could be effectively described by first-order reaction model and Arrhenius equation. The activation energy was estimated to be 38.2 +/- 3.6 kJ/mol in acidic methanol (0.01 mM HCl, pH = 5.1), 103.2 +/- 2.4 kJ/mol in aqueous methanol (20% water), and 105.8 +/- 3.3 kJ/mol in methanol. Furthermore, the possible mechanism of acid-catalyzed 7-O-ethyl GA-O decomposition in methanol was proposed, consisting of a fast protonation, followed by a committed step of ethanol removal. (C) 2010 Elsevier B.V. All rights reserved.”
“The prognosis of glioblastoma multiforme (GBM) is poor even with aggressive first-line therapy, which includes surgery, radiation therapy, and adjuvant chemotherapy.