Experimental and Computational Study of the Thermal Decomposition of 3‐Methyl‐3‐buten‐1‐ol in m‐Xylene Solution

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.     

Structural and Kinetic Aspects of Blood Plasma Protein Adsorption on the Surface of Hydrophobic Polymers

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.     

Strong enhancement and extinction of single harmonic intensity in the mid- and end-plateau regions of the high harmonics generated in weakly excited laser plasmas

Strong intensity enhancement or extinction of some single harmonics is observed in high-harmonic generation from 48 fs Ti:sapphire laser pulses propagating through preformed low-excited laser-produced plasmas of various materials (GaAs, Cr, InSb, stainless steel). The intensities of some of the harmonics in the mid- and end-plateau regions vary from ~23-fold enhancement to near disappearance compared with those of the neighboring ones. It is also shown that the observed intensity enhancement (or extinction) can be varied by controlling the chirp of the driving laser radiation.     

A simple method for extracting both active oily and water soluble extract (WSE) from Nigella sativa (L.) seeds using a single solvent system

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.     

Characterization of the 46.9-nm soft X-ray laser beam from a capillary discharge

Intense lasing had been obtained from argon plasma in the soft X-ray region from a capillary discharge plasma system. Different diagnostics have been used to characterize the lasing properties by recording the temporal, spatial, and spectral profiles of the emission. The divergence measurement indicates that the soft X-ray laser beam has good directionality with a divergence of 3.5 mrad. The spectrum of the laser beam measured using a transmission grating showed intense lasing line at 46.9 nm. Diffraction orders as high as 10th orders were observed. The temporal profile recorded with a vacuum diode showed a distinct laser peak with a pulse width ~1.2 ns (FWHM). In addition, the coherence of the X-ray laser beam was also confirmed from the high-contrast interference fringes (visibility ~85 %) recorded using double slits.     

Use of carbon-containing materials for efficient high-order harmonic generation of laser radiation

A systematic study of the high-order harmonic generation (HHG) of laser radiation in various carbon-containing plasma plumes (CCPPs) is presented. The materials studied are: graphite, boron carbide, C₆₀, polytetrafluoroethylene, polyethylene, carbon nanotubes, and soot. These studies show that CCPPs present the best plasma media for efficient lower order (from 9th to 19th) harmonic generation, while the harmonic cutoff restricted to the 29th order. The advantages of CCPPs for the harmonic generation are confirmed by comparison of the HHG conversion efficiency with that in Ag and In plasma plumes, where the highest conversion efficiency was reported. Use of two-color pump scheme allows further enhancement of harmonic yield from the CCPPs.     

高聚合度Ⅱ-型聚磷酸铵的合成

用聚合反应-热处理两段工艺合成了高聚合度的聚磷酸铵（APP）阻燃材料,其结构经XRD,粒度及平均聚合度表征。优化反应条件为：磷酸氢二铵1mol,n（磷酸氢二铵）：n（五氧化二磷）：n（脲）：1．0：1．0：0．3．干燥氨气氛下于290℃反应30min,再经250℃-280℃后处理100min-110min。APP的平均聚合度大于150,粒度小于50μm。