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Deep Insight (deep + insight)
Selected AbstractsIn Situ Observation of Dynamic Recrystallization in the Bulk of Zirconium Alloy,ADVANCED ENGINEERING MATERIALS, Issue 8 2009Klaus-Dieter Liss Dynamic recrystallization and related effects have been followed in situ and in real time while a metal undergoes rapid thermo-mechanical processing. Statistics and orientation correlations of embedded/bulk material grains were deduced from two-dimensional X-ray diffraction patterns and give deep insight into the formation of the microstructure. Applications are relevant in materials design, simulation, and in geological systems. [source] Management of hepatocellular carcinoma: Report of Consensus Meeting in the 45th Annual Meeting of the Japan Society of Hepatology (2009)HEPATOLOGY RESEARCH, Issue 7 2010Shigeki Arii Hepatocellular carcinoma (HCC) is responsible for approximately 600 000,700 000 deaths worldwide. It is highly prevalent in the Asia,Pacific region and Africa, and is increasing in Western countries. The evidence-based guideline for HCC in Japan was published in 2005 and revised in 2009. Apart from this guideline, a consensus-based practice manual proposed by the HCC expert panel of the Japan Society of Hepatology (JSH), which reflects widely accepted daily practice in Japan, was published in 2007. At the occasion of the 45th Annual meeting of the JSH in Kobe 4,5 June 2009, a consensus meeting of HCC was held. Consensus statements were createdbased on 67% agreement of 200 expert members. This article describes the up-to-date consensus statements which largely reflect the real world HCC practice in Japan. We believe readers of this article will gain the newest knowledge and deep insight on the management of HCC proposed by consensus of the HCC expert members of JSH. [source] Predicting the tautomeric equilibrium of acetylacetone in solution.JOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 4 2010Abstract This study investigates how the various components (method, basis set, and treatment of solvent effects) of a theoretical approach influence the relative energies between keto and enol forms of acetylacetone, which is an important model system to study the solvent effects on chemical equilibria from experiment and theory. The computations show that the most popular density functional theory (DFT) approaches, such as B3LYP overestimate the stability of the enol form with respect to the keto form by ,10 kJ mol,1, whereas the very promising SCS-MP2 approach is underestimating it. MP2 calculations indicate that in particular the basis set size is crucial. The Dunning Huzinaga double , basis (D95z(d,p)) used in previous studies overestimates the stability of the keto form considerably as does the popular split-valence plus polarization (SVP) basis. Bulk properties of the solvent included by continuum approaches strongly stabilize the keto form, but they are not sufficient to reproduce the reversal in stabilities measured by low-temperature nuclear magnetic resonance experiments in freonic solvents. Enthalpic and entropic effects further stabilize the keto form, however, the reversal is only obtained if also molecular effects are taken into account. Such molecular effects seem to influence only the energy difference between the keto and the enol forms. Trends arising due to variation in the dielectric constant of the solvent result from bulk properties of the solvent, i.e., are already nicely described by continuum approaches. As such this study delivers a deep insight into the abilities of various approaches to describe solvent effects on chemical equilibria. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010 [source] Novel 3,6-Disubstituted 7H -1,2,4-Triazolo[3,4- b][1,3,4]thiadiazines: Synthesis, Characterization, and Evaluation of Analgesic / Anti-inflammatory, Antioxidant ActivitiesARCHIV DER PHARMAZIE, Issue 5 2009Birsen Tozkoparan Abstract In this study, the synthesis of a new series of 3,6-disubstituted-7H -1,2,4-triazolo[3,4- b][1,3,4]thiadiazine 1a,4c compounds derived from 4-amino-3-substituted-1,2,4-triazole-5-thiones 1,4 is described. All of the synthesized compounds were screened for their possible analgesic / anti-inflammatory, antioxidant activities and gastric toxicity. The compound 2c was found to have both significant analgesic and consistent anti-inflammatory activity without inducing any gastric lesions along with minimal lipid peroxidation. A deep insight into the structures of the active compounds revealed that the compounds carrying an electron withdrawing group (a chloride or fluoride) on the phenyl ring at 6-position of the condensed heterocyclic derivatives exhibited noticeable higher activity. [source] | ||||||||||