Blind separation of fluorescence spectra using sparse non‐negative matrix factorization on right hand factor

Sparse non‐negative matrix factorization on right side factor (SNMF/R) has better performance in feature extraction than non‐negative matrix factorization. In this work, SNMF/R was first used to separate the overlapped three‐dimensional fluorescence spectra of polycyclic aromatic hydrocarbons mixtures in pure water, lake water, and river water, respectively. It is found that the similarity coefficients between the acquired three‐dimensional spectra and the corresponding reference spectra with random initials are all above 0.80; the recognition rate of SNMF/R is higher than that of PARAFAC and non‐negative matrix factorization algorithms, especially in the case of lake water and river water samples. In addition, SNMF/R does not need any initialization scheme designing during spectra separation. These results demonstrate that SNMF/R is an appropriate algorithm to separate the overlapped fluorescence spectra of polycyclic aromatic hydrocarbons in aquatic environment accurately and effectively. Copyright © 2015 John Wiley & Sons, Ltd.     

中空纤维三相液相微萃取-高效液相色谱法测定水中的4种酚类化合物

建立了中空纤维液-液-液三相微萃取-高效液相色谱法测定水中4种酚类化合物的方法.实验系统地优化了影响萃取效率的因素(包括有机溶剂种类、接收相浓度、分散相pH值、加盐量、转速及萃取时间).得到的最佳萃取条件为:萃取剂为正辛醇,接收相NaOH溶液的浓度为0.09 mol/L,分散相的pH为4,萃取时间为40 min,搅拌速...     

A study of aromatic three membered rings

The resonance energies (REs) of neutral three membered ring analogs of the cyclopropenyl cation, computed using block localized wave function (BLW) methods, reveal considerable variations. The RE's of cyclopropenes substituted with exocyclic double bonded groups C?X, (X = O, NH, CH₂, S, PH, SiH₂) increase with the electronegativity of X in the same row (SiH₂ < PH < S and CH₂ < NH < O). The extra cyclic resonance energies (ECREs) (an energetic measure of aromaticity based on comparisons with the RE's of acyclic models) of these derivatives range from +10.5 kcal/mol for cyclopropenone (X = O) (somewhat aromatic; the benzene ECRE is 29.3 kcal/mol) to ?2.4 kcal/mol (slightly antiaromatic) for X = SiH₂. Additional disubstitution of the C?C double bond by X′ groups (X′ = CH₃, NH₂, OH, SiH₃, PH₂, SH) increases the REs considerably, but has only small effects on the ECREs. Even the ECRE of deltic acid (X = O, X′ = OH) is only increased to +13.3 kcal/mol. The conclusion based on ECRE's, that all 12 of the three membered rings are only marginally aromatic/antiaromatic, is supported by the satisfactorily plot (R² = 0.92) of ECRE against values of NICS(0)_πzz (a superior nucleus chemical independent shift magnetic index of aromaticity), which range only from ?6.1 ppm (diatropic) for deltic acid (cf., ?35.5 ppm for benzene and ?14.2 ppm for the parent cyclopropenium ion) to +8.9 ppm (paratropic) for the silicon derivative, X = SiH₂, X′ = SiH₃. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

三维裂纹体应力强度因子的计算

本文采用塌缩三棱柱形奇异单元的位移计算应力强度因子，给出了一个新的全三维外推公式，它是Ｃｈｅｎ和Ｋｕａｎｇ公式〔１３〕的全三维推广，特例证明，它的精度比Ｉｎ－ｇｒａｆｆｅａ和Ｍａｎｕ的公式〔８〕高一阶。数值计算表明，结果稳定和对单元尺寸改变不敏感     

应变花埋丝技术在齿科修复学上的应用研究

本文通过采用三维应变花埋丝技术，对固定义齿修复的牙周应力分布进行了定量分析研究，绘制了修复前后牙周的应力分布随基牙倾斜角度的变化曲线，测得下颌第二磨牙用作固定桥基牙时近中倾斜的最大角度为７０度，从生物力学的角度证明，固定义齿修复有利于倾斜基牙牙周组织健康、为齿科临床上广泛开展倾斜基牙固定修复提供了依据。     

侧柱对串列双柱脉动压力的干扰

研究了串列双圆柱旁加上一个等直径的圆柱，组成一个等边三角形排列的三圆柱的脉动压力分布．着重研究侧柱对串列双圆柱脉动压力分布的影响．研究的结果表明，绕流等边三角形排列的三圆柱，受影响最严重的是后柱．脉动压力分布出现了严重的不对称，外侧的压力脉动极其强烈，内侧的压力脉动较弱，与时均压力分布，很好的对应关系．另外，侧柱对于串列双圆柱是否达到超过临界间距的绕流流态，有很大的影响     

远距离三原子量子纠缠特性与其应用

三原子分别被束缚在用光纤环形连接单侧泄漏微光学腔场中,在微腔中输入激光驱动场和施加局域激光场,利用输入-输出技术及绝热近似理论,推导出一维Ising链模型的有效哈密顿量,该哈密顿量表明该系统会诱导出三原子中的任意两原子纠缠及三原子纠缠,用伴随数(concurrence)度量两原子纠缠,用内禀纠缠度量三原子纠缠,通过数值计算,给出两原子和三原子纠缠随时间演化曲线,通过适当调控激光驱动场和局域激光场,在远距离三原子中任意两原子实现未知量子态的隐形传送。     

Recovery performance and characteristics in shape memory effects of aliphatic polyether urethane

The analysis on the recovery performance and characteristics in shape memory effects is helpful for the optimal design and engineering applications of shape memory polymers and their composites. To investigate the relationships among recovery performance, material parameters, and loading conditions, by taking aliphatic polyether urethane as an example, the researchers simulate the shape memory behaviors numerically using a three‐dimensional viscoelastic model. The material parameters for this model are taken from stress relaxation tests, rather than dynamic mechanical analysis tests. Both the unconstrained and the constrained recovery behaviors during strain‐controlled shape memory processes are analyzed. The results reveal that the unconstrained recovery occurs at the same temperature regardless of the applied strain values. Another interesting result is that the shape recovery temperature in unconstrained recovery situations increases and the maximum recovery stress under constrained recovery conditions decreases with the increase of heating rates. Copyright © 2013 John Wiley & Sons, Ltd.