Wavelet-based estimator for the hurst parameters of fractional brownian sheet

It is proposed a class of statistical estimators H =(H_1,…,H_d) for the Hurst parameters H =(H_1,…,H_d) of fractional Brownian field via multi-dimensional wavelet analysis and least squares,which are asymptotically normal.These estimators can be used to detect self-similarity and long-range dependence in multi-dimensional signals,which is important in texture classification and improvement of diffusion tensor imaging(DTI) of nuclear magnetic resonance(NMR).Some fractional Brownian sheets will be simulated and the simulated data are used to validate these estimators.We find that when H_i ≥ 1/2,the estimators are accurate,and when H_i 1/2,there are some bias.     

一维六方准晶压电材料中幂函数型曲线裂纹的反平面问题

依据一维六方准晶压电材料反平面问题的基本方程,利用复变函数方法,通过引入适当的保角映射,研究了一维六方准晶压电材料中幂函数型曲线裂纹的反平面问题,并利用Cauchy积分理论,得到电不可通和电可通边界条件下的应力场和位移场的复表示以及裂纹尖端场强度因子的解析表达式.     

Experimental analysis and thermodynamic modelling of Nitroxynil solubility in pure solvent and binary solvent

Nitroxynil(NIT) is a commonly used anti-liver fluke drug for cattle and sheep, Its solubility is closely related to its preparation. In this work, the molar solubility of NIT in nine pure solvents (methanol, ethanol, 1,2-propanediolethyl, isopropanol, ethyl acetate, acetonitrile, n-butanol, phemethylol) and two kinds of binary mixtures with different ratio(ethanol + phemethylol; ethanol + acetonitrile) was determined by shake flask method over the temperature from 278.15 ～ 323.15 K at atmosphere pressure. Results show that the solubility of NIT in all tested solvents was increased with raised temperature. In mono-solvents, the mole fraction solubility of NIT was highest in phemethylol and the solubility order is: phemethylol > acetonitrile > ethyl acetate > methanol > n-butanol > ethanol > 1,2-propanediolethyl > isopropanol > water. In binary solvents, the mole fraction solubility increased with increasing ratio of phemethylol/acetonitrile. In mono-solvents, the modified Apelblat equation, λh equation, Van't Hoff model were applied to correlate the solubility data. In binary solvents, the modified Apelblat equation, λh equation, GSM model and Jouyban-Acree model were to correlate the solubility data. Solubility order of NIT in nine pure solvent and two binary solvent systems were analysed by using the Hansen solubility parameter (HSP). Activity coefficient was to access the solute–solvent molecular interactions. In addition, the dissolution of NIT is an endothermic and entropy-friendly process, since thermodynamic parameters such as enthalpy, entropy, and apparent standard Gibbs free energy are all greater than zero. The results will supply some essential data on recrystallization process, purification and formulation development of NIT in pharmaceutical applications.     

Effect of synthesis parameters on the structural,morphological characteristics,and photocatalytic activity of La2O3 nanoparticles

This study investigates the influence of synthesis processes such as sonication, sol-gel, and microwave on the production of highly crystalline Lanthanum oxide nanoparticles (La₂O₃) employing Lanthanum nitrate and Ammonium hydroxide (NH₄OH) as precursors. X-ray diffraction (XRD), particle size analysis (DLS), Field emission scanning electron microscopy (FESEM), Fourier-transform infrared spectroscopy (FTIR), ultraviolet–visible absorption spectroscopy (UV–Vis), and electrochemical impedance spectroscopy (EIS) were used to examine the most effective processing method and its effects on the nanoparticle characteristics, such as structure, morphology, and optical and electrical behavior. Sonication produces La₂O₃ NPs with a smaller crystalline size, an agglomerated nanorod structure, a higher bandgap, and better electrical responsiveness than sol-gel and microwave techniques. Structural and optical characterization tests discovered this. The photocatalytic degradation activity of cationic Safranin and anionic Congo red dye exhibits degradation efficiency of around 90.13% and 89.66%, respectively.     

二维超声联合超声造影TIC参数在乳腺导管内病变良/恶性诊断中的应用价值

本研究分析了二维超声(2DUS)联合超声造影(CEUS)时间-强度曲线(TIC)参数在乳腺导管内病变良/恶性鉴别诊断中的应用价值。选取乳腺导管内病变患者81例(共93个病变),均行2DUS及CEUS检查。结果显示,2DUS检出恶性病变17个,良性病变48个,诊断准确度69.89%(65/93)、敏感度53.13%(17/32)、特异度78.69%(48/61),阳性预测值为56.67%(17/30),阴性预测值为76.19%(48/63)。恶性病变达峰时间早于良性病变(P<0.05),峰值强度、曲线上升支斜率、曲线下面积均高于良性病变(P<0.05)。ROC曲线分析结果显示:2DUS联合CEUS-TIC参数鉴别诊断乳腺导管内病变良/恶性的AUC、敏感度、特异度均高于2DUS或CEUS单独检查(P<0.05)。因此可知,对于乳腺导管内病变,2DUS联合CEUS检查可明显提高对良/恶性的鉴别诊断效能。     

MRI相关定量参数在肩峰下撞击综合征诊断中的价值及与肩关节功能、治疗效果的关系

为分析MRI相关定量参数对肩峰下撞击综合征(SIS)的诊断价值,本研究将56例SIS患者设为SIS组,同期56例健康体检者设为对照组,对比了两组对象的一般资料、肩关节功能评分(Constant评分)及MRI相关定量参数水平,探讨了MRI定量参数与Constant评分、SIS发病相关影响因素、治疗效果的关系及对SIS的诊断价值。结果显示SIS组Constant评分、最短肩肱间距低于对照组,肩峰指数、肩锁关节骨赘高度高于对照组,且SIS组治疗有效患者肩峰指数、肩锁关节骨赘高度低于无效患者,最短肩肱间距高于无效患者(P<0.05);SIS患者肩峰指数、肩锁关节骨赘高度与Constant评分呈负相关,而最短肩肱间距与其呈正相关(P<0.05);各MRI相关定量参数均为SIS发病的重要影响因素(P<0.05)。应用各MRI相关定量参数联合诊断SIS特异度为87.50%,敏感度为80.36%。由此可知MRI相关定量参数对SIS诊断价值较高,且与肩关节功能和治疗效果有关。     

经腹彩色多普勒超声检查对子宫内膜异位症的诊断价值

本研究选取我院100例子宫内膜异位症患者作为病例组、同期健康妇女100例作为对照组,探讨了经腹彩色多普勒超声检查对子宫内膜异位症患者子宫动脉血流特征、子宫特征的诊断价值。结果显示,病例组的子宫体积、子宫内膜厚度测定值均大于对照组(P<0.05);摆动子宫颈后,病例组的EDV测定值低于对照组,RI测定值大于对照组(P<0.05);通过绘制ROC曲线,可知EDV、RI、子宫体积大小、子宫内膜厚度诊断子宫内膜异位症的AUC值均超过0.65,灵敏度和特异度都较高,漏诊率和误诊率也在可控范围内。本研究证实,通过经腹彩色多普勒超声检测子宫动脉血流参数及子宫形态特征,对诊断子宫内膜异位症具有一定的临床参考价值。     

超声弹性成像参数联合血清MK和VEGF对分化型甲状腺癌的诊断价值及与肿瘤恶性程度关系研究

本研究选取了分化型甲状腺癌(DTC)患者106例为甲状腺癌组,同期106例甲状腺腺瘤患者为甲状腺腺瘤组,检测比较了两组患者的超声弹性成像参数(弹性比值、蓝色面积比值)、血清中期因子(midkine,MK)、血管内皮生长因子(VEGF)水平。研究结果发现,弹性比值、蓝色面积比值、血清MK和VEGF水平与DTC患者淋巴结转移、包膜侵犯、临床分期相关(P<0.05);弹性比值、蓝色面积比值、血清MK和VEGF水平联合诊断DTC的曲线下面积(AUC)为0.888;弹性比值、蓝色面积比值、血清MK及VEGF水平与DTC患者组织中趋化因子受体(CXCR)4、解聚素金属蛋白酶(ADAM)9、靶向Xklp2靶蛋白(TPX2)基因表达量呈正相关,与程序性细胞死亡因子(PDCD)4基因表达量呈负相关。这些结果提示超声弹性成像参数、血清MK及VEGF水平上调可能用来评估DTC患者病情程度及肿瘤恶性程度,三者联合对DTC具有可靠诊断价值,可为临床诊治提供参考。     

Dividing a complex reaction involving a hypervalent iodine reagent into three limiting mechanisms by ab initio molecular dynamics

The electrophilic N‐trifluoromethylation of MeCN with a hypervalent iodine reagent to form a nitrilium ion, that is rapidly trapped by an azole nucleophile, is thought to occur via reductive elimination (RE). A recent study showed that, depending on the solvent representation, the S_N2 is favoured to a different extent over the RE. However, there is a discriminative solvent effect present, which calls for a statistical mechanics approach to fully account for the entropic contributions. In this study, we perform metadynamic simulations for two trifluoromethylation reactions (with N‐ and S‐nucleophiles), showing that the RE mechanism is always favoured in MeCN solution. These computations also indicate that a radical mechanism (single electron transfer) may play an important role. The computational protocol based on accelerated molecular dynamics for the exploration of the free energy surface is transferable and will be applied to similar reactions to investigate other electrophiles on the reagent. Based on the activation parameters determined, this approach also gives insight into the mechanistic details of the trifluoromethylation and shows that these commonly known mechanisms mark the limits within which the reaction proceeds. © 2015 Wiley Periodicals, Inc.     

Particle size effects in Fischer-Tropsch synthesis by Co catalyst supported on carbon nanotubes

The effect of Co particle size on the Fischer-Tropsch synthesis (FTS) activity of carbon nanotube (CNT)-supported Co catalysts was investigated. Microemulsion (using water-to-surfactant molar ratios of 2 to12) and impregnation techniques were used to prepare catalysts with different Co particle sizes. Kinetic studies were performed to understand the effect of Co particle size on catalytic activity. Size-dependent kinetic parameters were developed using a thermodynamic method, to evaluate the structural sensitivity of the CNT-supported Co catalysts. The size-independent FTS reaction rate constant and size-independent adsorption parameter increased with increasing reac-tion temperature. The Polani parameter also depended on catalyst particle size, because of changes in the catalyst surface coverage.