Some insights on the description of gradient elution in reversed‐phase liquid chromatography

The so‐called “fundamental equation for gradient elution” has been used for modeling the retention in gradient elution. In this approach, the instantaneous retention factor (k) is expressed as a function of the change in the modifier content (φ(t_s)), t_s being the time the solute has spent in the stationary phase. This approach can only be applied at constant flow rate and with gradients where the elution strength depends on the column length following a f(t?l/u) function, u being the linear mobile phase flow rate, and l the distance from the column inlet to the location where the solute is at time t measured from the beginning of the gradient. These limitations can be solved by using the here called “general equation for gradient elution”, where k is expressed as a function of φ(t,l). However, this approach is more complex. In this work, a method that facilitates the integration of the “general equation” is described, which allows an approximate analytical solution with the quadratic retention model, improving the predictions offered by the “linear solvent strength model.” It also offers direct information about the changes in the instantaneous modifier content and retention factor, and gives a meaning to the gradient retention factor.     

Novel highly sensitive Cu‐based SERS platforms for biosensing applications

Novel surface enhanced Raman spectroscopy (SERS) platforms have been prepared and used for the bacteria detection. Unlike typical, expensive SERS platforms prepared from gold or silver, the presented platforms are prepared using copper. A new, simple, cost‐efficient and fast high pressure method is used for platform fabrication, through the decomposition of copper hydride. The platform enhancement factors are verified using the malachite green isothiocyanate as a standard. The platforms exhibit extremely high SERS enhancement factors depending on pressure used for their preparation. The calculated enhancement factors have been found in the range between 1.5 × 10⁶ and 4.6 × 10⁷. The SERS spectra reproducibility is established both across a single platform and among different platforms. The average spectral correlation coefficient (Γ) has been calculated to be 0.82. Fully characterized SERS platforms have then been used for detecting Staphylococcus aureus bacteria. These novel platforms have great potential to become excellent tools for biological or medical diagnostics as an alternative to more common silver or gold SERS platforms. Copyright © 2015 John Wiley & Sons, Ltd.     

基于斐波那契数积分计算非等径颗粒视角系数

热辐射是颗粒间热量传递的基本方式之一,视角系数计算的效率和精度是颗粒热辐射数值模拟中的主要难点。本文采用斐波那契数列对非等径颗粒表面进行离散,在此基础上计算视角系数,并且对z方向的积分使用非均匀变换以提高计算精度。结果表明,在具有不同球体数的粉末床中,用该方法计算的视角系数的相对误差为5%,与传统的蒙特卡洛方法相比,计算效率提升约30%。     

压电压磁材料中正n边形孔边裂纹分析

基于电磁复合材料力学,运用Stroh型公式和复变函数方法,针对压电压磁材料中含正n边形孔边裂纹反平面问题进行了研究。利用Schwarz-Christoffel变换技术,结合Cauchy积分公式和留数定理,导出了磁电全非渗透型边界条件下任意正n边形裂纹尖端场强度因子和能量释放率的解析解。当缺失磁场时,所得解退化为已有结果,以此验证方法的有效性。通过数值算例,对比分析了n=3,n=4和n=5三种特殊情形对应的孔口边长、裂纹长度和受到的力、电和磁载荷对等效场强度因子和无量纲能量释放率的影响规律。研究结果发现,正n边形孔洞的尺寸和裂纹长度均会促进裂纹扩展,且前者的影响更显著一些;正n边形边的数量增加会阻止裂纹的扩展;在磁电全非渗透型边界条件下,机械载荷始终促进裂纹的扩展,电位移载荷可以促进或抑制裂纹的扩展,磁载荷对裂纹的扩展贡献较少。本研究结果适用于任意正n边形孔边裂纹求解问题,为压电压磁材料元器件的优化设计和断裂特性分析提供了新思路。     

高技术产业技术创新生态系统健康性评价及关键影响因素分析——基于改进熵值-DEMATEL-ISM组合方法的实证研究

高技术产业技术创新生态系统的健康发展对完善国家创新生态系统至关重要。本研究选取24个系统健康性影响因素,运用改进熵值-DEMATEL-ISM组合方法得出2011~2016年中国省际系统健康性得分,并对健康性关键影响因素及因素间的作用关系予以分析。结果表明,几年间系统健康性得分水平偏低且存在东部优于中部、中部优于西部的区域差异;系统健康性关键影响因素为有研发机构的企业数占比、国际竞争力、市场需求、对人员的吸附能力、知识产权保护、国内竞争力、引进外资和高技术企业数量;关键原因因素借助中层因素的中介传递作用影响关键结果因素最终影响系统健康的9条影响传递路径是关联广泛的主导路径,在改善系统健康性时应优先重视。     

不确定因素下永磁同步电动机系统的混沌鲁棒控制

<正>针对永磁同步电动机混沌系统,考虑受不确定因素的影响,对其数学模型采用基于微分几何理论的精确反馈线性化法,建立鲁棒控制模型,设计鲁棒控制器,实现永磁同步电动机混沌系统的鲁棒镇定和输出跟踪控制.数值仿真的结果证明了所提出方法的有效性及控制器的鲁棒性.     

黄萎病棉叶光谱识别影响因素分析

通过开展光谱测试试验,对黄萎病棉叶光谱测试影响因素进行准确性分析,明确各因素对黄萎病棉叶光谱识别的影响程度,优化其光谱测试方法。结果表明:黄萎病不同严重程度下,棉叶病症部位反射率形状和大小在所有波段均高于正常部位,差异显著;白板做底板时棉叶光谱值在可见光波段略高于黑板,其他波段显著高于黑板;棉叶主茎叶影响较小,旁叶影响较大;相同或相邻叶位影响较小,不同叶位影响较大;正常叶叶位影响较小,病害叶叶位影响较大;棉叶背面光谱反射率在可见光波段高于正面,近红外波段呈先高后平再低的趋势,短波红外波段呈先高后低的趋势;不同测试时间,测试品种的棉叶光谱特征差异较小,单一条件下对病害识别的影响在可接受范围内;不同测试试验区的棉叶光谱特征差异很小,对病害识别基本无影响。各因素对黄萎病棉叶光谱识别的影响程度不同,结果可为作物病害光谱识别的研究人员提供参考。     

光谱匹配因子对GF-1/WFV时间序列交叉定标的影响分析

在轨运行的传感器辐射性能由于受到元部件老化、外太空辐射等因素的影响,会发生变化,通过传感器在轨定标可以及时追踪传感器在轨运行期间的辐射性能变化。利用Terra/MODIS(Terre卫星中分辨率成像光谱仪)参考,GF-1/WFV(高分-1号卫星视场传感器)传感器为目标,基于敦煌校正场的实测地表光谱数据,在考虑两传感器成像时刻的不同观测角度、光谱响应、大气条件和地表特性的匹配贡献的基础上,获得交叉定标光谱匹配因子,进一步得出WFV自发射后的时间序列交叉定标系数。以此辐亮度定标系数得到的表观辐亮度值与MODIS表观辐亮度值进行比对,开展光谱匹配因子对GF-1/WFV定标系数的影响分析。分析认为：在不同波段,光谱匹配因子变化趋势总体一致,大于0.9的光谱匹配因子比重分别为53.1%,75%,81.2%和93.8%;辐亮度定标系数的时间序列变化趋势与光谱匹配因子的时间变化趋势呈现负相关;匹配因子越接近1,两传感器辐亮度值的相对偏差越小。     

Theoretical study of spin-forbidden cooling transitions of indium hydride using ab initio methods

The feasibility of spin-forbidden cooling of the In H molecule is investigated based on ab initio quantum chemistry calculations. The potential energy curves for the X~1Σ_(0~+)~+, a~3Π_~(0~-), a~3Π_(0~+), a~3Π_1, a~3Π_2, A~1Π_1, 1~3Σ_(0~-)~+, and 1~3Σ_1~+states of In H are obtained based on multi-reference configuration interaction plus the Davidson corrections method. The calculated spectroscopic constants are in good agreement with the available experimental data. In addition, the influences of the active space and spin–orbit coupling effects on the potential energy curves and spectroscopic constants are also studied. For Re of a~3Π_(0~-), a~3Π_(0~+), a~3Π_1, and a~3Π_2 states, the error from large active space is small. The potential energy curve of the A~1Π_1state is not smooth for small active space. The spin–orbit coupling effects have great influences on the potential well depth and equilibrium internuclear distance of the A~1Π state. The Franck–Condon factors and radiative lifetimes are obtained on the basis of the transition dipole moments of the a~3Π_(0~+) → X~1Σ_(0~+)~+, a~3Π_1 → X~1Σ_(0~+)~+, and A~1Π_1 → X~1Σ_(0~+)~+ transitions. Our calculation indicates that the a~3Π_1( ν'= 0) → X~1Σ_(0~+)~+(ν = 0) transition provides a highly diagonally distributed Franck–Condon factor and a short radiative lifetime for the a3Π1 state, which can ensure rapid and efficient laser cooling of In H.The proposed laser drives a~3Π_1 → X~1Σ_(0~+)~+ transitions by using three wavelengths.     

基于模糊证据推理及改进TOPSIS的多属性群决策方法

针对不同识别框架多属性群决策问题属性准则度量的不确定性、随机性,定义基于梯形模糊数表征的属性准则评价等级相似度量,求解专家决策权重的最优解。对公共识别框架备选方案属性准则采用模糊证据推理过程综合专家评价等级置信度信息;利用可严格区分属性准则评价等级的相似度量,改进TOPSIS方法中备选方案属性准则评价等级置信度距离因子,获取备选方案逼近正负理想解的贴近度。实例分析以某通信企业电信产品市场竞争力评估为例,说明基于模糊证据推理、改进TOPSIS的多属性群决策问题求解过程,从属性准则专家模糊评价等级置信度集中获取直观的待评估产品市场竞争力排序结果,验证该方法解决此类决策问题的可行性与有效性。