3-三氟甲基-5,6,7,8-四氢-1,2,4-三唑[4,3-α]吡嗪盐酸盐的合成

乙二胺与氯乙酸乙酯经取代、环合反应制得2-哌嗪酮,2-哌嗪酮与Boc酸酐进行氨基保护反应后,再与五硫化二磷进行硫代反应制得4-(N-叔丁氧羰基)-2-哌嗪硫酮,其与三氟乙酰肼经取代、环合、脱叔丁氧羰基成盐,得标题化合物,总收率为45.7%(以氯乙酸乙酯计)。为磷酸西他列汀中间体的工业化生产提供了一条较理想的工艺路线。     

Microwave dielectric properties of SrLa[Ga1−x(Mg0.5Ti0.5)x]O4 and SrLa[Ga1−x(Zn0.5Ti0.5)x]O4 (x = 0.2-0.8) ceramics

SrLa[Ga_1−x(R_0.5Ti_0.5)_x]O₄ (R = Mg, Zn) ceramics were prepared by a standard solid state sintering method. The single-phase ceramics with K₂NiF₄-type layered perovskite structure and I4/mmm space group were obtained, indicating that SrLa(R_0.5Ti_0.5) and SrLaGaO₄ can form the unlimited solid solutions. With increasing x for R = Mg and Zn, ε_r increases monotonously, the Qf value first increases and then decreases, while τ_f increases from a negative to a positive value. The optimized microwave dielectric properties were obtained as following: ε_r = 23.3, Qf = 89 400 GHz, τ_f = −0.8 ppm/°C for SrLa[Ga_0.6(Mg_0.5Ti_0.5)_0.4]O₄ and ε_r = 23.3, Qf = 76 200 GHz, τ_f = 0.2 ppm/°C for SrLa[Ga_0.7(Zn_0.5Ti_0.5)_0.3]O₄, indicating that the present solid solution ceramics are the promising candidates as microwave resonator materials for the telecommunication applications.     

Transesterification of Palm-based Methyl Palmitate into Esteramine Catalyzed by Calcium Oxide Catalyst

The technology for transesterification reactions between methyl esters and alcohols is well established by using classical homogeneous alkaline catalysts, which provide high conversion of methyl esters to specialty or nonindigenous esters. However, in certain products where the purity of the esters is of concern, the removal of homogeneous catalysts after the completion of the reaction is a challenge in terms of production cost and water footprint. Therefore, a study to investigate the potential of heterogeneous catalysts was conducted on reactions between methyl palmitate and triethanolamine. The degree of basicity and active surface area of calcium oxide (CaO), zinc oxide (ZnO), and magnesium oxide (MgO) were first characterized by using temperature-programmed desorption (TPD-CO₂) and Brunauere–Emmett–Teller (BET), respectively. Among the metal oxides investigated, the CaO catalyst showed the best catalytic activity toward the transesterification process as it gave the highest conversion of methyl palmitate and yielded fatty esteramine compositions similar to the conventional homogeneous catalyst. The optimum transesterification condition by using the CaO catalyst utilized a lower vacuum system of approximately 200 mbar, which could minimize a considerable amount of energy consumption. Furthermore, low CaO dosage of 0.1% was able to give a conversion of 94.5% methyl ester and formed esteramine at 170 °C for 2 h. Therefore, the production of esterquats from esteramine may become more economically feasible through the methyl ester route by using the CaO catalyst, which can be recycled three times.     

Single-Crystalline TiO2(B) Nanobelts with Unusual Large Exposed {100} Facets and Enhanced Li-Storage Capacity

The {100} facet of single-crystalline TiO₂(B) is an ideal platform for inserting Li ions, but it is hard to be obtained due to its high surface energy. Here, the single-crystalline TiO₂(B) nanobelts from H₂Ti₃O₇ with nearly 70% {100} facets exposed are synthesized, which significantly enhances Li-storage capacity. The first-principle calculations demonstrate an ab in-plane 2D diffusion through the exposed {100} facets. As a consequence, the nanobelts can significantly accommodate Li ions in LiTiO₂ formula with specific capacity up to 335 mAh g⁻¹, which is in good agreement with the electrochemical characterizations. Coating with conductive and protective poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate), the cut-off discharge voltage is as low as 0.5 V, leading to a capacity of 160.7 mAh g⁻¹ after 1500 cycles with a retention rate of 66% at 1C. This work provides a practical strategy to increase the Li-ion capacity and cycle stability by tailoring the crystal orientation and nanostructures.     

A dense and compact laser cladding layer with solid metallurgical bonding significantly improved corrosion resistance of Mg alloy for engineering applications

Although Mg alloy attracts great attention for engineering applications because of high specific strength and low density, low corrosion resistance limits its extensive use. In this study, Mg–Al–Zn–Mn alloy was treated via a laser cladding process to generate a dense and compact laser cladding layer with solid metallurgical bonding on the substrate for improving corrosion resistance, effectively hindering the corrosion pervasion into Mg alloy. The corrosion current density declined from 103 μA/cm² for Mg alloy to 13 μA/cm² for the laser cladding layer in NaCl aqueous solution. Moreover, the laser cladding layer was slightly corroded in comparison with Mg alloy in NaCl aqueous solution. Besides, the microhardness of the cladding layer reached a mean value of 170.5 HV, 3.1 times of Mg alloy (56.8 HV) due to the in situ formation of hardening intermetallic phases. Wear resistance of laser cladding layer was also obviously improved. These results demonstrated that the laser cladding layer obviously enhanced anticorrosion property of Mg alloy for engineering applications.     

K4,4,p的点可区别的IE-全染色(p≥1008)

该文利用色集事先分配法、构造染色法、反证法探讨了完全三部图K_4,4,p (p≥1008)的点可区别IE-全染色问题，确定了K_4,4,p (p≥1008)的点可区别IE-全染色数。     

水文序列相依变异识别的RIC定阶准则——以自回归模型为例

水文过程相依性是水文变异的主要表现形式之一,应用自回归模型对其进行拟合时合理确定模型阶数是一个难点问题。本文在分析AIC和BIC准则的基础上,提出了一种以原序列与其相依成分的相关系数作为拟合度指标,同时借用信息熵形式的函数式,作为模型不确定性度量指标的自回归模型定阶准则(简称RIC准则)。以AR(1)、AR(2)、AR(3)和AR(4)模型为例进行统计试验,将不同序列长度下该准则的定阶准确率与其他定阶准则进行比较,试验结果表明,RIC准则对于上述模型均具有较好的适应性,且定阶准确率远高于AIC准则,其中对于前三阶模型RIC准则优于BIC准则,但四阶模型略低于BIC准则。RIC准则的优势是可以同时满足模型定阶、相依程度分级与模型检验的需求,将其应用于实测水文序列分析,结果显示,该准则能较准确地识别自回归模型的阶数,且符合提出的"相依有变异而残差无变异的最小阶数"的检验标准。     

数据挖掘技术在软件系统中的应用

随着高新科学技术的发展,科学家研究出的利于人类工作生活的技术程序越来越多,大部分技术主要集中在如何帮助人们简化平时的工作量,能快速查找到自己所需要的信息,毕竟现代社会,工作效率和工作质量是关键。数据挖掘技术就具备这样的特点,数据挖掘技术在软件系统的应用将大大降低我们的工作量,提高我们的工作效率。现在我们研究数据挖掘技术在软件系统的应用,分析它是如何发挥其作用的,希望能提高使用该挖掘技术人员的使用效率。     

Zinc doped Fe2O3 for boosting Electrocatalytic Nitrogen Fixation to ammonia under mild conditions

Artificial nitrogen fixation is emerging as a promising approach for synthesis of ammonia at mild conditions. Inspired by biological nitrogen fixation based on bacteria containing iron, zinc doped Fe₂O₃ nanoparticles are proposed as an efficient and earth abundant electrocatalyst for converting N₂ to NH₃. In neutral media, it achieves a maximum Faradaic efficiency (FE) of 10.4% and a large NH₃ yield rate of 15.1 μg h^?1 mg^?1_cat. at ?0.5 V vs. reversible hydrogen electrode. This catalyst also exhibits excellent selectivity and stability. Theoretical calculations suggest the reaction follows the associative enzymatic mechanism and it has a barrier of as low as 0.68 eV.     

Model Selection for Unsupervised Learning of Visual Context

This study addresses the problem of choosing the most suitable probabilistic model selection criterion for unsupervised learning of visual context of a dynamic scene using mixture models. A rectified Bayesian Information Criterion (BICr) and a Completed Likelihood Akaike’s Information Criterion (CL-AIC) are formulated to estimate the optimal model order (complexity) for a given visual scene. Both criteria are designed to overcome poor model selection by existing popular criteria when the data sample size varies from small to large and the true mixture distribution kernel functions differ from the assumed ones. Extensive experiments on learning visual context for dynamic scene modelling are carried out to demonstrate the effectiveness of BICr and CL-AIC, compared to that of existing popular model selection criteria including BIC, AIC and Integrated Completed Likelihood (ICL). Our study suggests that for learning visual context using a mixture model, BICr is the most appropriate criterion given sparse data, while CL-AIC should be chosen given moderate or large data sample sizes.