Synthesis,characterization and antifungal property of Ti3C2Tx MXene nanosheets

Although the antibacterial properties of MXene nanosheets containing Ti₃C₂T_x are known, their antifungal properties have not been well studied. Herein, we present for the first time a report on the antifungal properties of Ti₃C₂T_x MXene. The Ti₃C₂T_x MXene was obtained by first exfoliating MAX phase of Ti₃AlC₂ with concentrated hydrofluoric acid, then the Ti₃C₂T_x was intercalated and deliminated by ethanol treatment and ultrasonication process. The delaminated Ti₃C₂T_x MXene nanosheets (d-Ti₃C₂Tx) were characterized using field emission scanning electron microscopy (FE-SEM), energy dispersive X-ray (EDX), X-ray diffraction spectroscopy (XRD), and Raman spectroscopy. It was found that Ti₃C₂T_x MXene was characterized by lamellar structure alternating with layers of Ti, Al and C. The EDX results revealed that the delaminated Ti₃C₂T_x MXene nanosheets were composed of Ti, C, Si, O, F, and a trace amount of Al. The XRD and Raman spectra further indicated the elimination of Al and the formation of two-dimensional Ti₃C₂T_x MXene nanosheets. The antifungal activity of the delaminated Ti₃C₂T_x MXene was determined against Trichoderma reesei using the modified agar disc method. Observation using inverted phase contrastmicroscopy revealed inhibited fungus growth with the absence of hyphae around the discs treated wtih MXene. The surrounding of the control groups without an inclusion of MXene was found with large number of hyphae and spores. In addition, the spores of the fungi treated with the samples containing d-Ti₃C₂T_x MXene nanosheets did not germinate even after 11 days of culture. The results demonstrated disruption to the hemispheric structural formation of fungi colony, inhibition of hyphae growth and cell damage for fungi grown on the d-Ti₃C₂T_x MXene nanosheets. These new findings suggest that d-Ti₃C₂T_x MXene nanosheets developed in this work could be a promising anti-fungi material.     

Evaluation of hydrodynamic behavior of the perforated gas distributor of industrial gas phase polymerization reactor using CFD-PBM coupled model

A 2D computational fluid dynamics (Eulerian–Eulerian) multiphase flow model coupled with a population balance model (CFD-PBM) was implemented to investigate the fluidization structure in terms of entrance region in an industrial-scale gas phase fluidized bed reactor. The simulation results were compared with the industrial data, and good agreement was observed. Two cases including perforated distributor and complete sparger were applied to examine the flow structure through the bed. The parametric sensitivity analysis of time step, number of node, drag coefficient, and specularity coefficient was carried out. It was found that the results were more sensitive to the drag model. The results showed that the entrance configuration has significant effect on the flow structure. While the dead zones are created in both corners of the distributors, the perforated distributor generates more startup bubbles, heterogeneous flow field, and better gas–solid interaction above the entrance region due to jet formation.     

Coil‐Type Asymmetric Supercapacitor Electrical Cables

Cable‐shaped supercapacitors (SCs) have recently aroused significant attention due to their attractive properties such as small size, lightweight, and bendability. Current cable‐shaped SCs have symmetric device configuration. However, if an asymmetric design is used in cable‐shaped supercapacitors, they would become more attractive due to broader cell operation voltages, which results in higher energy densities. Here, a novel coil‐type asymmetric supercapacitor electrical cable (CASEC) is reported with enhanced cell operation voltage and extraordinary mechanical‐electrochemical stability. The CASECs show excellent charge–discharge profiles, extraordinary rate capability (95.4%), high energy density (0.85 mWh cm⁻³), remarkable flexibility and bendability, and superior bending cycle stability (≈93.0% after 4000 cycles at different bending states). In addition, the CASECs not only exhibit the capability to store energy but also to transmit electricity simultaneously and independently. The integrated electrical conduction and storage capability of CASECS offer many potential applications in solar energy storage and electronic gadgets.     

A hybrid knowledge and ensemble classification approach for prediction of venous thromboembolism

Clinical narratives such as progress summaries, lab reports, surgical reports, and other narrative texts contain key biomarkers about a patient's health. Evidence-based preventive medicine needs accurate semantic and sentiment analysis to extract and classify medical features as the input to appropriate machine learning classifiers. However, the traditional approach of using single classifiers is limited by the need for dimensionality reduction techniques, statistical feature correlation, a faster learning rate, and the lack of consideration of the semantic relations among features. Hence, extracting semantic and sentiment-based features from clinical text and combining multiple classifiers to create an ensemble intelligent system overcomes many limitations and provides a more robust prediction outcome. The selection of an appropriate approach and its interparameter dependency becomes key for the success of the ensemble method. This paper proposes a hybrid knowledge and ensemble learning framework for prediction of venous thromboembolism (VTE) diagnosis consisting of the following components: a VTE ontology, semantic extraction and sentiment assessment of risk factor framework, and an ensemble classifier. Therefore, a component-based analysis approach was adopted for evaluation using a data set of 250 clinical narratives where knowledge and ensemble achieved the following results with and without semantic extraction and sentiment assessment of risk factor, respectively: a precision of 81.8% and 62.9%, a recall of 81.8% and 57.6%, an F measure of 81.8% and 53.8%, and a receiving operating characteristic of 80.1% and 58.5% in identifying cases of VTE.     

Macroscopic and Microscopic Structures of Cesium Lead Iodide Perovskite from Atomistic Simulations

A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI₃. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic $Pm\overline{3}m$ upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic $Pm\overline{3}m$ phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling.     

多先验融合的图像显著性目标检测算法

为了更加准确地检测出图像中的显著性目标，提出了多先验融合的显著性目标检测算法。针对传统中心先验对偏离图像中心的显著性目标会出现检测失效的情况，提出在多颜色空间下求显著性目标的最小凸包交集来确定目标的大致位置，以凸包区域中心计算中心先验。同时通过融合策略将凸包区域中心先验、颜色对比先验和背景先验融合并集成到特征矩阵中。最后通过低秩矩阵恢复模型生成结果显著图。在公开数据集MSRA1000和ESSCD上的仿真实验结果表明，MPLRR能够得到清晰高亮的显著性目标视觉效果图，同时F，AUC，MAE等评价指标也比现有的许多方法有明显提升。     

Phase-composition dependent domain responses in (K0.5Na0.5)NbO3-based piezoceramics

Lead-free (K_0.5Na_0.5)NbO₃-based (KNN) piezoceramics featuring a polymorphic phase boundary (PPB) between the orthorhombic and tetragonal phases at room temperature are reported to possess high piezoelectric properties but with inferior cycling stability, while the ceramics with a single tetragonal phase show improved cycling stability but with lower piezoelectric coefficients. In this work, electric biasing in-situ transmission electron microscopy (TEM) study is conducted on two KNN-based compositions, which are respectively at and off PPB. Our observations reveal the distinctive domain responses in these two ceramics under cyclic fields. The higher domain wall density in the poled KNN at PPB contributes to the high piezoelectric properties. Upon cycling, however, a new microstructure feature, “domain intersection”, is directly observed in this PPB composition. In comparison, the off-PPB KNN ceramic develops large domains during poling, which experience much less extent of disruption during cycling. Our comparative study provides the basis for understanding the relation between phase composition and piezoelectric performance.     

（S）-噻吗洛尔半水合物的合成及表征

为了开发β受体阻断剂新药（S）-噻吗洛尔半水合物，采用3-吗啉-4-氯-1，2，5-噻二唑为起始原料，经水解反应得到中间体1（3-吗啉-4-羟基-1，2，5-噻二唑）。中间体1与R-环氧氯丙烷发生醚化反应，经后处理及重结晶得到中间体2 {（R）-4-［4-（环氧乙烷-2-基甲氧基）-1，2，5-噻二唑-3-基］吗啉}。中间体2经胺化反应、马来酸成盐及重结晶得到（S）-马来酸噻吗洛尔。（S）-马来酸噻吗洛尔经游离、纯水转晶得到符合药典标准的（S）-噻吗洛尔半水合物，总收率14.05%且e.e.值为99.66%。最终成品经IR、1H-NMR、13C-NMR、MS、TGA、DSC表征，并优化各步反应条件。结果表明:以三乙胺为醚化反应缚酸剂75 ℃反应最佳；以乙醇为胺化反应溶剂46 ℃反应16 h最佳；S-噻吗洛尔的转晶拆分以水作溶剂，比传统不对称合成工艺安全稳定，操作简单，适合工业化生产。     

Twin screw granulation – review of current progress

Twin screw granulation (TSG) is a new process of interest to the pharmaceutical community that can continuously wet granulate powders, doing so at lower liquid concentrations and with better product consistency than found by a high shear batch mixer. A considerable body of research has evolved over the short time since this process was introduced but generally with little comparison of results. A certain degree of confidence has been developed through these studies related to how process variables and many attributes of machinery configuration will affect granulation but some major challenges still lay ahead related to scalability, variations in the processing regimes related to degree of channel fill and the impact of wetting and granulation of complex powder formulations. This review examines the current literature for wet granulation processes studied in twin screw extrusion machinery, summarizing the influences of operational and system parameters affecting granule properties as well as strives to provide some practical observations to newly interested users of the technique.     

不同晶相结构ZrO2负载铜基催化剂用于二乙醇胺脱氢反应

通过制备不同晶相结构〔单斜相(m-ZrO_2)、四方相(t-ZrO_2)和无定型(a-ZrO_2)〕ZrO_2载体,再通过沉积沉淀法制得Cu/m-ZrO_2、Cu/t-ZrO_2和Cu/a-ZrO_2催化剂,分别用于催化二乙醇胺脱氢合成亚氨基二乙酸反应。采用XRD、氮气物理吸附脱附、XPS、H_2-TPR、CO_2-TPD对催化剂的结构进行了表征。结果表明,Cu/m-ZrO_2催化剂界面更加有利于Cu~+/Cu~0稳定存在,具有更多的碱性位点,且抗氧化性较好。在二乙醇胺脱氢反应中,Cu/m-ZrO_2催化剂性能最好,反应时间为2.5 h,亚氨基二乙酸收率为97.64%。