量子点标记链霉亲和素及其生物活性检测

选用无机盐为前驱体,在水相中合成CdTe量子点,并用此量子点标记链霉亲和素,通过SephadexG-100层析分离纯化量子点标记的链霉亲和素,采用磁颗粒标记的链霉亲和素与量子点标记的链霉亲和素竞争结合辣根过氧化酶标记的生物素,即酶联免疫竞争抑制分析法检测链霉亲和素标记量子点后的生物活性,计算约70.3%的链霉亲和素标记到量子点上,且具有生物活性。每毫克量子点大约可偶联0.14 mg的链霉亲和素。采用荧光光谱研究量子点标记前后的荧光变化,标记后量子点的最大发射波长蓝移了8 nm,而发射光谱的半峰宽基本不变,说明量子点与链霉亲和素结合后粒子没有团聚,分散性好。     

The α stable distribution model in ocean ambient noise

In view of the non-Gaussian ocean ambient noise,the a stable distribution is applied to the statistical modeling.Firstly,the correspondence between the model characteristic exponent and the sample kurtosis is established based on the similarity in physical meaning of the two.And the kurtosis of the sum of two independent random variables is deduced,and this can be used to explain the kurtosis characteristic of interfered background noise.Secondly,some numerical simulations are made to model samples with higher and lower kurtosis than three,the results show good adaptability in leptokurtic distribution.Finally,three typical samples are taken under quiet environment,air gun interference and ship interference environment.Their Gaussianities are judged by the quantile-quantile plot.And then the four parameters of the model are estimated by the quantile based method and characteristic function based method jointly of the three categories.The statistical law of the characteristic exponent is emphatically analyzed:in the quiet environment,the characteristic exponent is close to 2.0,which is the value of Gaussian model;but for the air gun data,it is between 1.2 and 1.7,which means leptokurtic;and under the interference of the sailing ship,the value of a is related to the ship speed and the distance from the ship source to the receiving location,the more significant the ship impact is,the smaller the characteristic exponent is,which is consistent with the variation of kurtosis of disturbing noise in physical meaning.The results of the model verification show that the a stable distribution behaves well under the above three kinds of trial conditions,especially for the air gun environment which is far superior to the normal distribution.     

THE CONSTRUCTION OF WAVELET-BASED TRUNCATED CONICAL SHELL ELEMENT USING B-SPLINE WAVELET ON THE INTERVAL

Based on B-spline wavelet on the interval (BSWI), two classes of truncated conicalshell elements were constructed to solve axisymmetric problems, i.e. BSWI thin truncated conicalshell element and BSWI moderately thick truncated conical shell element with independent slope-deformation interpolation. In the construction of wavelet-based element, instead of traditionalpolynomial interpolation, the scaling functions of BSWI were employed to form the shape functionsthrough the constructed elemental transformation matrix,and then construct BSWI element viathe variational principle. Unlike the process of direct wavelets adding in the wavelet Galerkinmethod, the elemental displacement field represented by the coefficients of wavelets expansionwas transformed into edges and internal modes via the constructed transformation matrix. BSWIelement combines the accuracy of B-spline function approximation and various wavelet-basedelements for structural analysis. Some static and dynamic numerical examples of conical shellswere studied to demonstrate the present element with higher efficiency and precision than thetraditional element.     

A periodic DFT study on adsorption of small molecules(CH_4,CO,H_2O,H_2S,NH_3)on the WO_3(001) surface-supported Au

Gas molecules(such as CH4,CO,H2O,H2S,NH_3)adsorption on the pure and Au-doped WO3(001)surface have been studied by Density functional theory calculations with generalized gradient approximation.Based on the the calculation of adsorption energy,we found the most stable adsorption site for gas molecules by comparing the adsorption energies of different gas molecules on the WO3(001)surface.We have also compared the adsorption energy of five different gas molecules on the WO3(001)surface,our calculation results show that when the five kinds of gases are adsorbed on the pure WO3(001)surface,the order of the surface adsorption energy is CO>H2S>CH4>H2O>NH3.And the results show that NH3 is the most easily adsorbed gas among the other four gases adsorbed on the surface of pure WO3(001)surface.We also calculated the five different gases on the Au-doped WO3(001)surface.The order of adsorption energy was found to be different from the previous calculation:CO>CH4>H2S>H2O>NH3.These results provide a new route for the potential applications of Au-doped WO3 in gas molecules adsorption.     

稀土元素(La,Y)掺杂GaN的第一性原理计算

采用基于密度泛函理论的第一性原理赝势平面波方法,对稀土元素La,Y单掺杂和La和Y共掺杂GaN的晶格常数、电子结构及光学性质进行了计算与分析.计算结果表明:掺杂改变了GaN的能带结构,未掺杂和Y掺杂形成导带底和价带顶位于G点的直接带隙半导体,而La掺杂和La和Y共掺杂形成导带底位于G点,价带顶位于Q点的间接带隙半导体.可以通过掺杂元素来调制GaN的禁带宽度和带隙类型,掺杂均提高GaN在低能区的静态介电常数、反射率、折射率,使光子的跃迁强度增大,说明稀土元素La,Y掺杂可有效调制GaN的光电性质.     

Mn2+、N2-共掺杂Zn2GeO4晶体电子结构和光学性质的研究

采用基于密度泛函理论的平面波超软赝势方法对本征Zn2GeO4,Mn2+掺杂Zn2GeO4,Mn2+/N2-共掺杂Zn2GeO4超晶胞进行了几何结构优化,计算了掺杂前后体系的晶格常数、能带结构、态密度和光学性质。结果表明,Mn离子掺入后,Mn离子3d轨道与O离子2p轨道之间有强烈的轨道杂化效应,掺杂系统不稳定,而Mn/N离子共掺后,Mn离子和N离子之间的吸引作用克服了Mn离子之间的排斥作用,能够明显地提高掺杂浓度和体系的稳定性。光学性质计算结果表明,Mn离子与N离子共掺杂能改善Zn2GeO4电子在低能区的光学跃迁特性,增强电子在可见光区的光学跃迁;吸收谱计算结果显示,Mn离子与N离子掺入后体系对低频电磁波吸收增加。     

生长及耗散波色-爱因斯坦凝聚中的怪波

利用达布变换法(Darboux transformation),解析的研究了生长及耗散波色-爱因斯坦凝聚(BEC)中的怪波.通过降维和无量纲化,将描述BEC的Gross-Pitaevskii (GP)方程转化成一维无量纲非线性薛定谔方程.利用达布变换,得到了一维非线性薛定谔方程的怪波解析解.根据解析结果,数值模拟了生长及耗散BEC中怪波的性质.结果表明,BEC中出现了一种典型的双洞怪波,并且BEC生长会延缓怪波的消失,而BEC的耗散会加速怪波的消失.     

phyphox软件介绍及其在物理教学中的应用

全面介绍了基于手机传感器应用的phyphox软件的功能,并对于每种传感器均给出了相应实例来说明并启发其在物理教学中的应用.文章最后尝试总结了phyphox软件的优缺点,并对phyphox在物理教学中的应用前景作了展望和思考,期望对广大物理教师和物理教育研究者提供有益参考.     

MM工质热分解及其对ORC系统影响的研究

热稳定性是限制有机工质在有机朗肯循环(Organic Rankine Cycle,ORC)使用的重要因素。硅氧烷类工质具有低毒环保、化学性质稳定等优点,适用于150~350℃热源。本文研究了六甲基二硅氧烷(MM)工质热分解的特点及其对ORC系统的影响,结果表明,MM的热分解产物为硅氧烷类化合物及微量气态小分子碳氢化合物;热分解将导致系统性能下降,分解量足够大时,会出现蒸发器换热不充分导致膨胀机入口处工质干度低于1从而影响机组安全的问题。     

NeuDATool：支持GPU硬件加速和计算机集群跨节点并行的开源中子散射数据分析软件

实验势精修是20世纪80年代英国散裂中子源无定型材料组开发的用于分析中子散射实验数据的软件. 实验势精修的目标是根据中子散射数据重建样品的三维原子结构. 在过去的几十年,实验势精修被广泛用于中子散射实验数据分析,为实验用户提供了可靠的分析结果. 但是实验势精修是基于共享内存并行计算(OpenMP)的Fortran程序,不支持计算机服务器集群跨节点并行加速和GPU加速;这限制了它的分析速度. 随着计算机服务器集群的广泛建设和GPU加速技术的普遍使用,有必要重新编写EPSR程序以提高运算速度. 本文使用面向对象的C++语言,开发了一套实现EPSR算法的开源软件包NeuDATool;软件通过MPI和CUDA C实现了计算机集群跨节点并行和GPU加速. 使用液态水和玻璃态二氧化硅的中子散射实验数据对软件进行了测试. 测试显示软件可以正确重建出样品的三维原子结构;并且模拟体系达到10万原子以上时,使用GPU加速可以比串行的CPU算法提高400倍以上的模拟速度. NeuDATool为中子实验用户尤其是对熟悉C++编程并希望定义特殊分析算法的实验科学家提供了一种新的选择.