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An experimental study of the thermal decomposition of a β‐hydroxy alkene, 3‐methyl‐3‐buten‐1‐ol, in m‐xylene solution, has been carried out at five different temperatures in the range of 513.15–563.15 K. The temperature dependence of the rate constants for the decomposition of this compound in the corresponding Arrhenius equation is given by ln k (s?1) = (25.65 ± 1.52) ? (17,944 ± 814) (kJ·mol?1)·T?1. A computational study has been carried out at the M05–2X/6–31+G(d,p) level of theory to calculate the rate constants and the activation parameters by the classical transition state theory. There is a good agreement between the experimental and calculated rate constants and activation Gibbs energies. The bonding characteristics of reactant, transition state, and products have been investigated by the natural bond orbital analysis, which provides the natural atomic charges and the Wiberg bond indices. Based on the results obtained, the mechanism proposed is a one‐step process proceeding through a six‐membered cyclic transition state, being a concerted and slightly asynchronous process. The results have been compared with those obtained previously by us (Struct Chem 2013, 24, 1811–1816) for the thermal decomposition of 3‐buten‐1‐ol, in m‐xylene solution. We can conclude that in the compound studied in this work, 3‐methyl‐3‐buten‐1‐ol, the effect of substitution at position 3 by a weakly activating CH3 group is the stabilization of the transition state formed in the reaction and therefore a small increase in the rate of thermal decomposition. 相似文献
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Abstract Due to the wide use of polymers in medicine, researchers are required to solve a very important problem–to understand the interaction between materials of nonphysiological origin and the surrounding biological liquids, and tissues, particularly blood. 相似文献
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Progress in direct-drive inertial confinement fusion research at the
laboratory for laser energetics
R. L. McCrory D. D. Meyerhofer S. J. Loucks S. Skupsky R. Betti T. R. Boehly T. J.B. Collins R. S. Craxton J. A. Delettrez D. H. Edgell R. Epstein K. A. Fletcher C. Freeman J. A. Frenje V. Yu. Glebov V. N. Goncharov D. R. Harding I. V. Igumenshchev R. L. Keck J. D. Kilkenny J. P. Knauer C. K. Li J. Marciante J. A. Marozas F. J. Marshall A. V. Maximov P. W. McKenty S. F.B. Morse J. Myatt S. Padalino R. D. Petrasso P. B. Radha S. P. Regan T. C. Sangster F. H. Séguin W. Seka V. A. Smalyuk J. M. Soures C. Stoeckl B. Yaakobi J. D. Zuegel 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,44(2):233-238
Direct-drive inertial confinement fusion (ICF) is
expected to demonstrate high gain on the National Ignition Facility (NIF) in
the next decade and is a leading candidate for inertial fusion energy
production. The demonstration of high areal densities in hydrodynamically
scaled cryogenic DT or D2 implosions with neutron yields that are a
significant fraction of the “clean” 1-D predictions will validate the
ignition-equivalent direct-drive target performance on the OMEGA laser at
the Laboratory for Laser Energetics (LLE). This paper highlights the
recent experimental and theoretical progress leading toward achieving this
validation in the next few years.
The NIF will initially be configured for X-ray drive and with no beams
placed at the target equator to provide a symmetric irradiation of a
direct-drive capsule. LLE is developing the “polar-direct-drive” (PDD)
approach that repoints beams toward the target equator. Initial 2-D
simulations have shown ignition. A unique “Saturn-like” plastic ring
around the equator refracts the laser light incident near the equator toward
the target, improving the drive uniformity.
LLE is currently constructing the multibeam, 2.6-kJ/beam, petawatt laser
system OMEGA EP. Integrated fast-ignition experiments, combining the OMEGA
EP and OMEGA Laser Systems, will begin in FY08. 相似文献
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Z.M. Babar Wan Mohd Azizi Solachuddin JA Ichwan Qamar Uddin Ahmed Abul Kalam Azad Imranul Mawa 《Natural product research》2019,33(15):2266-2270
The current study provides a way of extraction for both active NSO and WSE from Nigella sativa seeds using 98% methanol. About 1?kg of ground seeds was macerated by 1:2.5 w/v (g/mL) for 72?hours. After rotary evaporation and 7 days of continuous drying and chilling at 50 and 4?°C, NSO and WSE were obtained at the same instant. Solubility tests of 24 solvents and 11 thin layer chromatographic analyses while 2, 2-diphenyl-1-picrylhydrazyl free radical scavenging assay of NSO (73.66) , WSE (33.32) and NSO?+?WSE (78.22) against ascorbic acid (IC50?=?4.28?mg/mL) was performed. WSE was found to be highly soluble in water and 5% NaOH exhibiting the same Rf value of 0.95 for EtOH:DMSO (9:1) against the honey. WSE has revealed more than twofold higher anti-oxidant activity than others. Formulation of WSE with Tualang honey may provide better targeted hydrophilic drug delivery systems. 相似文献
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