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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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Intracavity terahertz-wave generation in a synchronously pumped optical parametric oscillator using quasi-phase-matched GaAs 总被引:1,自引:0,他引:1
We generated 1 mW of average output power at 2.8 THz (bandwidth of approximately 300 GHz) in a diffraction-limited beam by placing a 6-mm-long quasi-phase-matched GaAs crystal inside the cavity of a synchronously pumped optical parametric oscillator (OPO). The OPO used type-II-phase-matched periodically poled lithium niobate as a gain medium and was pumped by a mode-locked laser at 1064 nm, with a 7 ps pulse duration, 50 MHz repetition rate, and 10 W average output power. The terahertz radiation was generated by difference frequency mixing between the signal and idler waves of the near-degenerate doubly resonant OPO. 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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Serge Zaugg Mike van der Schaar Ludwig Houégnigan Michel André 《Applied Acoustics》2012,73(3):281-290
Acquisition of acoustic data from ocean observatories is expected to play a key role for the long-term monitoring of marine mammals and anthropogenic noise. It typically requires processing of a large volume of acoustic data and it must rely on automated identification of signals. We present an algorithmic framework for the detection of short tonal sounds (e.g. cetacean calls, anthropogenic pings) intended to act as a first stage in a system for the automated real-time detection, classification, and localisation of acoustic sources. The algorithm was validated under a diversity of scenarios expected at ocean observatories. Using simulated signals that emulate a variety of cetacean call-types, perfect identification of signal position was obtained for signal to noise ratios of ?15 to ?5 dB, depending on the signal-type. Separation of real-world data segments with short tonal sounds (mainly cetacean calls) from segments with other sounds or noise resulted in Area Under the ROC Curve values between 0.96 and 0.98. The algorithm can be used to automatically identify cetacean calls and anthropogenic short tonal sounds much faster than in real-time, thereby reducing the burden put on data transmission, storage, or processing by classification and localisation algorithms. 相似文献
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