近红外光谱相关系数法用于快速检测药品的质量

对近红外光谱相关系数法检测药品质量变化的效果进行了研究,并考察了相关系数方法对同一品种药品来自不同厂家生产的样品的区分能力进行了计算,还研究了在不同仪器上、由不同人员测定光谱时相关系数方法的识别能力。本文还对计算相关系数时的光谱预处理方法和谱段等参数进行了探讨,提供了建议性的参数条件,为近红外光谱相关系数方法用于药品质量快速分析提供参考。     

Lattice Bhatnagar-Gross-Krook Simulations of Hydromagnetic Double-Diffusive Convection in a Rectangular Enclosure with Opposing Temperature and Concentration Gradients

The temperature-concentration lattice Bhatnagar-Gross-Krook （TCLBGK） model with a robust boundary scheme is developed for two-dimensional hydromagnetic double-diffusive convective flow of a binary gas mixture in a rectangular enclosure, in which the upper and lower walls are insulated, while the left and right walls are constant temperature and constant concentration, and a uniform magnetic field is applied in the x-direction. In the model the velocity, temperature and concentration fields are solved by three independent LBGK equations, which are combined into a coupled equation for the whole system. In our simulations, we take the Prandtl number Pr = 1.0, the Lewis number Le = 2.0, the thermal Rayleigh number RaT = 10^5, and the aspect ratio A = 2 for the enclosure. The numerical results are found to be in good agreement with those of previous studies.     

Effects of High Pressure on BC3

High-pressure phases of BC3 are studied within the local density approximation under the density functional theory framework. When the pressure reaches 20 GPa, the layered BC3 that is a semiconductor at ambient pressure, becomes metallic. As the pressure increases, the material changes into a network structure at about 35 GPa. To understand the mechanism of phase transitions, band structure and density of states are discussed. With the increase of pressure, the width of bands broadens and the dispersion of bands enlarges. Additionally, the density of states of the network bears great resemblance to that of diamond. Formation of the sp3 bonding in the network is the main reason for the structural transformation at 35 GPa.     

小鼠卵母细胞染色体三维双光子荧光图像的轴向衰减

双光子荧光显微镜作为一种高分辨光学仪器,已经被广泛应用于生物样品的非侵入式三维光学成像中。相比共聚焦显微镜,双光子荧光显微镜拥有更深的探测深度。然而,即便如此,在对较厚的生物样品进行非侵入式光学三维成像时,样品的成像质量也往往会随着探测深度的增加而下降。在临床和生物学领域对研究母性遗传起重要作用的小鼠卵母细胞拥有较大的直径(80～100 μm),吸收和散射效应较为明显。本文研究小鼠卵母细胞染色体的三维双光子荧光图像随探测深度增加图像质量的衰减程度。通过对所得图像进行轴向衰减矫正,利用体积作为参数,将矫正前后小鼠卵母细胞内染色体三维双光子荧光图像进行对比。结果表明,由于吸收和散射效应,卵母细胞存在较严重的光学轴向衰减问题,因此,对用双光子荧光三维成像手段获得的小鼠卵母细胞图像进行衰减矫正是有必要的。这为进一步精确定量的研究卵母细胞内染色体的三维构像打下良好的基础。     

环境光对谷氨酸钠溶液激光拉曼光谱的影响

探讨了环境光的存在,对谷氨酸钠溶液的激光拉曼光谱的影响。研究表明,不同的环境光,自然光和室内荧光灯光,会对拉曼光谱产生不同的干扰效应,存在着特征谱峰、负峰或尖锐正峰, 干扰的影响不能忽略。建议在进行溶液激光拉曼光谱检测时,需在暗室或暗罩中进行,以完全隔离环境光的影响。     

理论研究电流注入对垂直腔面发射激光器多横模行为的影响

从包含时空变量的速率方程出发,针对弱折射率导引垂直腔面发射激光器(VCSELs),利用空间积分法分析了典型电注入参数对VCSELs多横模行为的影响,在不降低模型准确性的前提下提高了仿真效率。仿真结果表明,注入盘孔径和注入环越小、注入强度越低以及电流扩散越弱时,VCSELs更易实现单横模工作;反之,VCSELs高阶横模开始出现并呈现较强的模式竞争,引发了载流子空间烧孔效应,并导致基模强度降低。进一步得出,在环形注入方式下,高阶模式更容易出现且彼此间的竞争较盘形注入时强。     

边缘效应对小型平直翅片管束传热和阻力性能的影响

本文通过数值模拟方法对四排管叉排布置的小型平直翅片管束的传热和阻力性能进行了研究,分析了边缘效应对小型翅片管束传热和阻力性能的影响,结果表明,6-6-6-6布管方式优于6-5-6-5布管方式,在只有较少换热管的小型翅片管换热器中,边缘效应不可忽略,实际整体模型的阻力系数比文献中常用的简化对称模型小13%~14%,努塞尔数小15%~18%,本文提出的公式可用于快速而准确地估算小型平直翅片管束的努塞尔数和阻力系数.     

单螺杆发动机在不同进气压力下的实验研究

为了改善原有气动发动机的缺陷,提出了一种新型的气动发动机—单螺杆膨胀机,其具有容积效率高、结构控制简单、噪声低、寿命长等特点。为了测试单螺杆膨胀机的各项性能,建立了单螺杆膨胀机压缩空气动力系统,对膨胀机在不同进气压力下进行了实验研究.实验结果表明:随着进气压力升高膨胀机输出功率及总效率升高,而气耗率下降,即膨胀机在高进气压力下具有较好的动力性能、经济性能和较高的总效率。     

谱峰相对强度比法在碳炔含量测定中应用

碳炔材料是一种不溶不熔高聚物 ,红外谱图是最简易的一种分析测试工具。将 C—H键的振动峰面积与 C C键的振动峰面积相关联 ,用谱峰相对强度比法测定不同制备条件下产生的碳炔材料的相对含量。结果表明 ,两者比值对反应物浓度的变化具有相关性 ,可用作碳炔材料制备中实验条件的优选手段。     

A STUDY ON ABSORPTION OF Na ATOMS ON Si(100) 2×1 SURFACES WITH DV-Xα METHOD

The Na absorption on Si(100) 2×1 surface is studied with quantum chemistry molecular cluster method. The calculated results show that the most favourable absorption site of Na is the cave site and the charge transfer of Na atom to Si is large when the Na coverage is smaller than 0.5 monolayer (ML). A Na chain is formed along the cave sites at the 0.5 ML Na coverage, the charge transfer then becomes small. The calculated density of states show that the Na atoms are metallic along the chain. At 1 ML coverage, the Na atoms occupy both the cave and pedestal sites and form a double-layer. There is a charge transfer of 0.5e from each Na atom to the Si surface. The calculated surface energy shows that the saturation absorption of Na on Si surface is 1 ML.