Sound velocity in alumino-silicate liquids determined up to 2550 K from Brillouin spectroscopy: glass transition and crossover temperatures

Hypersonic longitudinal sound velocities in five silicate and alumino-silicate liquids have been measured between 293 and 2550 K by Brillouin spectroscopy. Together with previous observations for four other glasses and liquids of the system SiO₂-Al₂O₃-CaO-MgO, these results are used to discuss changes in hypersonic velocities in three adjacent temperature domains, i.e., below, in, and above the glass transformation range. The temperature dependence of Brillouin velocities is consistent with the observed variations with temperature of viscosity, density, and mean heat capacity for the same three temperature domains. These variations of physical properties of alumino-silicate liquids are qualitatively in agreement with the Inherent Structure Theory for liquids.     

On the Smoothness of a Generalized Solution of the First Initial Boundary-Value Problem for Strongly Parabolic Systems in a Cylinder with Nonsmooth Base with Respect to Time Variable

We consider the first initial boundary-value problem for strongly parabolic systems in an infinite cylinder with nonsmooth boundary. We establish conditions for the existence of generalized solutions, an estimate for this solutions, and an estimate for the derivative of the solution.     

Carrier-mediated transport of yttrium(III) through a supported liquid membrane containing TOPO in n-dodecane

Transport of yttrium(III) from nitrate medium through liquid membrane containing tri-n-octyl-phosphine oxide (TOPO) in n-dodecane, supported on a nucleoporous filter, into a strip solution with ethylenediaminetetraacetic acid (EDTA) has been studied. The kinetic dependences of transport were obtained and compared with a model, resulting in calculation of permeability coeffients and initial fluxes of yttrium. The influence of salting-out agent, initial metal and nitric acid concentrations in the feed, and of concentration of carrier in membrane are discussed.     

Synthese de diterpenes tetracycliques du type hibane

Hibaone has been synthesized from manool through a photochemical cycloaddition of Δ⁸⁽¹⁴⁾ podocarpene-13-one to ethylene or 1,2 dichloroethylene.     

Natural anti-HIV agents. Part 3: Litseaverticillols A-H, novel sesquiterpenes from Litsea verticillata

Bioassay directed-fractionation led to the identification of litseaverticillols A-H (1-8) from the leaves and twigs of Litsea verticillata Hance. These new sesquiterpenes possess a unique skeleton that was recently designated as ‘litseane’. The structures of these compounds were determined by spectroscopic means including 1D and 2D NMR data. Structural configurations were determined by ROESY experiments. Mosher ester reactions and optical rotation measurements established the sesquiterpenes 1-8 as racemates. Isolates 1-8 inhibited HIV-1 replication in HOG.R5 cells with IC₅₀ values ranging from 2 to 15 μg/ml (8-58 μM) while affecting the growth of HOG.R5 at concentrations 2-3-fold higher. Based on this data, structure-activity relationships can be discerned, suggesting compounds of this class are good candidates for analog production.     

A simulation-based genetic algorithm approach for reducing emissions from import container pick-up operation at container terminal

Emissions from idle truck engines are a main source of pollution at container terminals. In this study, we focus on reducing such emission from waiting trucks as well as the related crane operations with a new truck arrival control method that gives individual truck limited time slots for entry. We develop a method to optimize the time slot assignment for individual trucks, aiming at minimizing total emissions from trucks and cranes at import yards. The method applies discrete event simulation to estimate total truck waiting times and crane moving distance, and then applies a genetic algorithm to minimize the generated emissions from these trucks and cranes. The experiment result shows that the truck arrivals should be controlled based on the stacking of import containers, and that such control is necessary for reducing truck idling emissions at a congested container terminal.     

Electronic Structure of N-Bridged High-Valent Diiron-Oxo

Density functional theory (DFT) and an advanced ab initio technique based on density matrix renormalization group (DMRG-CASPT2) were employed to investigate a reactive N-bridged high-valent diiron-oxo species involved in H-abstraction reactions. We studied in detail two important doublet states, the ground state with two iron(IV) centers and a mixed valence Fe^V-Fe^IV excited state. We found that the latter state is low-lying. Furthermore, its electronic structure and spin density imply that it has significantly higher H-abstraction reactivity than the ground state. This low-lying excited state might be the reason behind the high oxidation reactivity of this diiron-oxo species towards methane.