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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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Jasquer A. Sehnem Priscila Milani Vanessa Nascimento Leandro H. Andrade Luciano Dorneles Antonio L. Braga 《Tetrahedron: Asymmetry》2010,21(8):997-1003
N-Trifluoracyl β-chalcogeno amides and N-perfluoracyl β-thio amide ligands were prepared by a simple and efficient reaction sequence. These new ligands were evaluated in palladium-catalyzed alkylation of rac-(E)-1,3-diphenyl-2-propenyl acetate in the presence of dimethyl malonate and an enantioselectivity of up to 99% was obtained. After catalysis, the fluorous ligand can be easily recovered by liquid–liquid extraction and reused without loss in the activity. 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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A. L. Sehnem D. Espinosa E. S. Gonçalves A. M. Figueiredo Neto 《Brazilian Journal of Physics》2016,46(5):547-555
We discuss the thermal lens phenomenon in high-absorbing colloidal systems, studied by using the Z-scan technique. The characteristics of the experimental setup to avoid undesirable effects are presented, in particular when pulsed laser beam is used. We show that a cumulative effect may appear in the experiment with chopped laser beams and compromise the results obtained with this technique. This artefact is more significative when colloidal suspensions are investigated. These materials have different characteristic times of heat and mass diffusion, which must be carefully considered to choose the appropriate time interval for the laser pulse and the time between pulses. Two experimental cases with a chopped laser beam, with and without a shutter, are discussed. The sample employed is a magnetic colloidal suspension (a ferrofluid). This sample has magnetic nanoparticles electrically charged in an aqueous solution with free ions and counter ions. Besides the thermal lens effect, charge and mass diffusion may take place when the sample is illuminated by the Gaussian beam, which imposes a thermal gradient on it. The results show that, with the experimental setup without a shutter, the sample does not achieve a complete relaxation between two laser pulses. This generates a measurable cumulative effect after the sample is illuminated during a relatively long period of time. A time modulation with longer time interval between chopped pulses allows the complete relaxation of the sample. This procedure is important for the correct analysis of the thermal lens effect. Reliable values of the thermal conductivity of the sample in different temperatures are obtained and discussed. 相似文献
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