Formation of Chlorotriophenoxy Radicals from Complete Series Reactions of Chlorotriophenols with H and OH Radicals

The chlorothiophenoxy radicals (CTPRs) are key intermediate species in the formation of polychlorinated dibenzothiophenes/thianthrenes (PCDT/TAs). In this work, the formation of CTPRs from the complete series reactions of 19 chlorothiophenol (CTP) congeners with H and OH radicals were investigated theoretically by using the density functional theory (DFT) method. The profiles of the potential energy surface were constructed at the MPWB1K/6-311+G(3df,2p)//MPWB1K/6-31+G(d,p) level. The rate constants were evaluated by the canonical variational transition-state (CVT) theory with the small curvature tunneling (SCT) contribution at 600–1200 K. The present study indicates that the structural parameters, thermal data, and rate constants as well as the formation potential of CTPRs from CTPs are strongly dominated by the chlorine substitution at the ortho-position of CTPs. Comparison with the study of formation of chlorophenoxy radicals (CPRs) from chlorophenols (CPs) clearly shows that the thiophenoxyl-hydrogen abstraction from CTPs by H is more efficient than the phenoxyl-hydrogen abstraction from CPs by H, whereas the thiophenoxyl-hydrogen abstraction from CTPs by OH is less impactful than the phenoxyl-hydrogen abstraction from CPs by OH. Reactions of CTPs with H can occur more readily than that of CTPs with OH, which is opposite to the reactivity comparison of CPs with H and OH.     

An approach to measure infill matric suction of irregular infilled rock joints under constant normal stiffness shearing

Rock joints infilled with sediments can strongly influence the strength of rock mass. As infilled joints often exist under unsaturated condition, this study investigated the influence of matric suction of infill on the overall joint shear strength. A novel technique that allows direct measurement of matric suction of infill using high capacity tensiometers (HCTs) during direct shear of infilled joints under constant normal stiffness (CNS) is described. The CNS apparatus was modified to accommodate the HCT and the procedure is explained in detail. Joint specimens were simulated by gypsum plaster using three-dimensional (3D) printed surface moulds, and filled with kaolin and sand mixture prepared at different water contents. Shear behaviours of both planar infilled joints and rough joints having joint roughness coefficients (JRCs) of 8–10 and 18–20 with the ratios of infill thickness to asperity height (t/a) equal to 0.5 were investigated. Matric suction shows predominantly unimodal behaviour during shearing of both planar and rough joints, which is closely associated with the variation of unloading rate and volumetric changes of the infill material. As expected, two-peak behaviour was observed for the rough joints and both peaks increased with the increase of infill matric suction. The results suggest that the contribution of matric suction of infill on the joint peak normalised shear stress is relatively independent of the joint roughness.     

Changes in the physical properties of honey powder during storage

Honey powders produced by spray drying with the addition of Arabic gum and sodium caseinate were characterised in terms of the influence of storage time on the following physical properties: particle size, moisture content, water activity, bulk density, flowability and hygroscopicity. The storage affected those properties; after 12 weeks of storage, particle size decreased (except Arabic gum powder treated as a control sample), moisture content and water activity increased, hygroscopicity decreased. Changes in bulk density, particle size and moisture content caused the rise of Hausner ratio value; however, the powders were still characterised by a very good flow properties and low cohesiveness. The colour of reconstituted powders was also affected by storage; in most of samples, the darkening, reduction in redness and yellowness were observed. Colour parameters were the most stable in powders obtained with the addition of 2% w/w of sodium caseinate.     

基于DSP的多元数据同步采集与存储系统的设计与实现

从硬件和软件两个角度出发,介绍基于DSP的多元数据同步采集与存储系统的组成、工作模式以及功能的测试。系统主要由上位机和数字采集与存储单元组成,其中数字采集与存储单元的硬件部分包括电源模块,值班电路模块,数据采集模块,数据存储模块,时钟同步模块。系统采用DSP作为中央处理芯片,利用经过同步后的秒脉冲作为触发信号,实现同步数据采集。以CF卡作为存储介质,实现数据自容式存储。软件部分实现自检、同步、数据采集存储功能。经过测试,系统工作稳定,功能正常,同步精度在100ns以内。     

Iron mediated cathodic electrosynthesis of hausmannite nanoparticles

A novel synthetic route has been proposed to prepare hausmannite nanoparticles. The synthetic route comprises an iron mediated constant current cathodic electrodeposition of manganite and heat treatment of the latter to obtain hausmannite. The obtained nanostructures have been characterized using X-ray Diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectrometry (EDX) and Fourier transform Infrared Spectrometry (FTIR). The role of iron in the formation of manganite precursor has been studied by cyclic voltammetry (CV) and differential thermal analysis (DTA). A formation mechanism based on iron mediated formation of Mn³⁺ and subsequent cathodic reduction of the disproportionated products has been proposed accordingly. The prepared nanoparticles exhibited specific capacitance of 143 F g⁻¹ in 0.5 M Na₂SO₄ solution. The retained specific capacity was 87% after 2000 cycles.     

Dielectric,ferroelectric, and energy storage properties in dysprosium doped sodium bismuth titanate ceramics

In this work, Na_0.5(Bi_1-xDy_x)_0.5TiO₃ (0?≤?x?≤?15%) ceramics were prepared via solid state reaction method and were characterized. A stable and pure perovskite phase was revealed by X-ray diffraction analysis for all compositions and a symmetry change from rhombohedral to orthorhombic phase was detected beyond 10% of Dy substitution. The incorporation of Dy³⁺ into Sodium Bismuth Titanate (Na_0.5Bi_0.5TiO₃) matrix allows a substantial decrease of the coercive field, an increase in the resistivity, and leads to a high stability of the dielectric permittivity (??/?_(150?°C) ≤?±?15%) over a wide temperature range. Furthermore, this system was found to exhibit improved energy storage properties at high temperatures with a maximum energy density of 1.2?J/cm³ obtained for 2%Dy composition at 200?°C. The obtained results are very promising for energy storage capacitors operating at high temperatures.     

Tribological behaviour of a 3Y-TZP/Ta ceramic-metal biocomposite against ultrahigh molecular weight polyethylene (UHMWPE)

This study aims to evaluate the tribological behaviour of 3Y-TZP/Ta (20 vol%) ceramic-metal composites and 3Y-TZP monolithic ceramic prepared by spark plasma sintering (SPS) against ultrahigh molecular weight polyethylene (UHMWPE). According to the results of pin (UHMWPE)-on-flat wear test under dry conditions, the UHMWPE – 3Y-TZP/Ta system exhibited lower volume loss and friction coefficient than the UHMWPE – monolithic ceramic combination due to the presence of an autolubricating layer that provides sufficient lubrication for reducing the friction. Owing to the lubrication of the liquid media, under wet conditions obtained using simulated body fluid (SBF), similar behaviour is observed in both cases. Additionally, the ceramic and biocomposite materials were subjected to a low temperature degradation (LTD) process (often referred to as “ageing”) to evaluate the changes in the tribological behaviour after this treatment. In this particular case, the wear properties of the UHMWPE-biocomposite system were found to be less influenced by ageing in contrast to the case of the UHMWPE-zirconia monolithic material. In addition to their exceptional mechanical performance, 3Y-TZP/Ta composites also showed high resistance to low temperature degradation and good tribological properties, making them promising candidates for biomedical applications, especially for orthopaedic implants.     

Group sequential crossover trial designs with strong control of the familywise error rate

Crossover designs are an extremely useful tool to investigators, and group sequential methods have proven highly proficient at improving the efficiency of parallel group trials. Yet, group sequential methods and crossover designs have rarely been paired together. One possible explanation for this could be the absence of a formal proof of how to strongly control the familywise error rate in the case when multiple comparisons will be made. Here, we provide this proof, valid for any number of initial experimental treatments and any number of stages, when results are analyzed using a linear mixed model. We then establish formulae for the expected sample size and expected number of observations of such a trial, given any choice of stopping boundaries. Finally, utilizing the four-treatment, four-period TOMADO trial as an example, we demonstrate that group sequential methods in this setting could have reduced the trials expected number of observations under the global null hypothesis by over 33%.     

Effect of Biochar as Reductant on Magnetizing-roasting Behavior of Pyrite Cinder

The effect of biochar substituted for anthracite as reductant on magnetizing-roasting pyrite cinder was investigated.The key of magnetizing-roasting is the gasification reaction between reductants and CO2.Since biochar could react with CO2 more rapidly at lower temperature,the reactivity of biochar is better than that of anthracite.The gasification of biochar could produce reducing condition ofφCO/(φCO+φCO2)about 10%-20% between 700-800 ℃,which is in accord with the atmosphere and temperature of Fe2O3 reduction.So it is beneficial to the reduction of iron mineral of pyrite cinder.Compared with anthracite,biochar could decrease the roasting temperature from825 to 750 ℃ and roasting time from 20 to 15min,which shows that a better effect of magnetization could be obtained in the condition of lower temperature and shorter time.Using biochar as reductant,iron concentrate extracted from pyrite cinder as about 64%iron grade could be produced,and the recovery is over 90% under the condition of above 90% grinding particle less than 0.045 mm and magnetic intensity of 0.124-0.194 T.     

Application of Vis–NIR hyperspectral imaging in classification between fresh and frozen-thawed pork Longissimus Dorsi muscles

Fresh and frozen-thawed (F-T) pork meats were classified by Vis–NIR hyperspectral imaging. Eight optimal wavelengths (624, 673, 460, 588, 583, 448, 552 and 609 nm) were selected by successive projections algorithm (SPA). The first three principal components (PCs) obtained by principal component analysis (PCA) accounted for over 99.98% of variance. Gray-level-gradient co-occurrence matrix (GLGCM) was applied to extract 45 textural features from the PC images. The correct classification rate (CCR) was employed to evaluate the performance of the partial least squares-discriminate analysis (PLS-DA) models, by using (A) the reflected spectra at full wavelengths and (B) those at the optimal wavelengths, (C) the extracted textures based on the PC images, and (D) the fused variables combining spectra at the optimal wavelengths and textures. The results showed that the best CCR of 97.73% was achieved by applying (D), confirming the high potential of textures for fresh and F-T meat discrimination.