平行平板横向剪切干涉仪装调误差的矫正方法研究

对平行平板双光路横向剪切干涉仪的装调进行了研究,提出了一种矫正两个平行平板之间角度误差的方法.输出激光的波前采用Zernike多项式拟合,经过理论推导,发现两个方向差分波前求解出的倾斜像散之差与平行平板的角度误差存在线性关系,利用两个方向倾斜像散之差来矫正两个平行平板之间的角度误差.在平行平板横向剪切干涉仪的装调过程中使两个方向差分波前的倾斜像散之差为零即可以使两个方向的平行平板之间的角度误差值为零.进一步地从实验上证明了这个线性关系,对于所用的实验系统,当离焦像差为-3.224 7±0.001 8,两个方向差分波前的倾斜像散之差波动范围为±2.0×10^-3时,平行平板的角度误差可以控制在8.82″之内,高阶像差对平行平板的角度误差调节精度的影响约为1.63″.该方法具有装调简单、精确度高,易于流程化操作的优点.     

“Parallel factor analysis of multi-excitation ultraviolet resonance Raman spectra for protein secondary structure determination”

Protein secondary structural analysis is important for understanding the relationship between protein structure and function, or more importantly how changes in structure relate to loss of function. The structurally sensitive protein vibrational modes (amide I, II, III and S) in deep-ultraviolet resonance Raman (DUVRR) spectra resulting from the backbone C–O and N–H vibrations make DUVRR a potentially powerful tool for studying secondary structure changes. Experimental studies reveal that the position and intensity of the four amide modes in DUVRR spectra of proteins are largely correlated with the varying fractions of α-helix, β-sheet and disordered structural content of proteins. Employing multivariate calibration methods and DUVRR spectra of globular proteins with varying structural compositions, the secondary structure of a protein with unknown structure can be predicted. A disadvantage of multivariate calibration methods is the requirement of known concentration or spectral profiles. Second-order curve resolution methods, such as parallel factor analysis (PARAFAC), do not have such a requirement due to the “second-order advantage.” An exceptional feature of DUVRR spectroscopy is that DUVRR spectra are linearly dependent on both excitation wavelength and secondary structure composition. Thus, higher order data can be created by combining protein DUVRR spectra of several proteins collected at multiple excitation wavelengths to give multi-excitation ultraviolet resonance Raman data (ME-UVRR). PARAFAC has been used to analyze ME-UVRR data of nine proteins to resolve the pure spectral, excitation and compositional profiles. A three factor model with non-negativity constraints produced three unique factors that were correlated with the relative abundance of helical, β-sheet and poly-proline II dihedral angles. This is the first empirical evidence that the typically resolved “disordered” spectrum represents the better defined poly-proline II type structure.     

一步法高通量可控制备生物相容水/水微囊及其响应释放

生物相容水/水微囊在药物递送、 医学治疗等领域具有重要应用. 本文通过设计同轴微流控器件, 结合数值模拟优化和流动阻力分析, 实现一步法高通量可控制备大小均匀、 尺寸可控、 壁厚可调、 生物相容的水/水微囊. 采用实验研究和数值模拟相结合的方式, 研究了微流控器件结构、 内相流速、 外相流速、 外相/空气界面张力、 内相/外相界面张力、 内相黏度和外相黏度等参数对水/水微囊直径和壁厚的调控规律. 通过微通道流动阻力分析, 设计多通道平行放大微流控器件, 实现尺寸均匀可控水/水微囊的高通量制备. 验证了生物相容水/水微囊作为活性物质的理想载体, 可以通过改变pH或溶解囊壁释放载体, 进而实现活性物质的pH响应释放, 为其实际应用奠定了基础.     

Flow and heat transfer in a moving fluid over a moving flat surface

In this paper, a numerical analysis of the momentum and heat transfer of an incompressible fluid past a parallel moving sheet based on composite reference velocity U is carried out. A single set of equations has been formulated for both momentum and thermal boundary layer problems containing the following parameters: r the ratio of the free stream velocity to the composite reference velocity, σ (Prandtl number) the ratio of the momentum diffusivity of the fluid to its thermal diffusivity, and E _c (E _ck ) (Eckert number). The present study has been carried out in the domain 0 ≤ r ≤ 1. It is found that the direction of the wall shear changes in such an interval and an increase of the parameter r yields an increase in temperature.      

Two-phase flow distribution of air–water annular flow in a parallel flow heat exchanger

The air and water flow distribution are experimentally studied for a round header – flat tube geometry simulating a parallel flow heat exchanger. The number of branch flat tube is 30. The effects of tube outlet direction, tube protrusion depth as well as mass flux, and quality are investigated. The flow at the header inlet is identified as annular. For the downward flow configuration, the water flow distribution is significantly affected by the tube protrusion depth. For flush-mounted configuration, most of the water flows through frontal part of the header. As the protrusion depth increases, more water is forced to the rear part of the header. The effect of mass flux or quality is qualitatively the same as that of the protrusion depth. Increase of the mass flux or quality forces the water to rear part of the header. For the upward flow configuration, however, most of the water flows through rear part of the header. The protrusion depth, mass flux, or quality does not significantly alter the flow pattern. Possible explanations are provided based on the flow visualization results. Negligible difference on the water flow distribution was observed between the parallel and the reverse flow configuration.     

Two‐dimensional replica‐exchange method for predicting protein–ligand binding structures

We have developed a two‐dimensional replica‐exchange method for the prediction of protein–ligand binding structures. The first dimension is the umbrella sampling along the reaction coordinate, which is the distance between a protein binding pocket and a ligand. The second dimension is the solute tempering, in which the interaction between a ligand and a protein and water is weakened. The second dimension is introduced to make a ligand follow the umbrella potential more easily and enhance the binding events, which should improve the sampling efficiency. As test cases, we applied our method to two protein‐ligand complex systems (MDM2 and HSP 90‐alpha). Starting from the configuration in which the protein and the ligand are far away from each other in each system, our method predicted the ligand binding structures in excellent agreement with the experimental data from Protein Data Bank much faster with the improved sampling efficiency than the replica‐exchange umbrella sampling method that we have previously developed. © 2013 Wiley Periodicals, Inc.     

Point availability of Gaver’s duplex system supervised by a safety device unit

We analyse the point availability of Gaver’s parallel system supervised by a safety device. For safety reasons, no unit is allowed to operate without supervision. The entire system is attended by two heterogeneous repairmen. Our methodology is based on the theory of sectionally holomorphic functions combined with the notion of dual transforms. As an application we consider Coxian repair time distributions.     

基于荧光光谱技术的菜籽油氧化状态智能评价

菜籽油在加工及贮藏过程中，易受氧气、温度、光照等因素的影响，产生氧化酸败现象。为准确判断油脂氧化程度，实现不同氧化模式下菜籽油品质的快速判别，采用三维同步荧光光谱技术结合平行因子分析法及BP神经网络法建立菜籽油氧化状态的智能评价模型。以冷榨菜籽油为原料，将样品分别置于常温、Schaal烘箱、高温模式中氧化处理，期间采集菜籽油的三维同步荧光光谱数据及理化指标，当理化指标超出国标限定范围时，停止采集数据。结果表明，菜籽油中荧光物质在不同氧化模式中的演变规律呈显著差异，氧化温度对菜籽油荧光光谱有明显影响。常温氧化350 d与第1 d相比，菜籽油的特征荧光峰位置无变化，仅在激发波长Ex为620和660 nm附近荧光峰强度发生微弱变化；Schaal烘箱氧化26 d后，在激发波长Ex为620和660 nm附近荧光峰强度显著减弱，且在激发波长Ex为350～450 nm之间有新的荧光峰生成；高温氧化48 h后，Ex为620和660 nm处荧光峰消失，在Ex为400～550 nm处产生显著荧光峰，相对Schaal烘箱氧化，荧光波长发生一定程度红移，这是由于高温氧化过程中油脂氧化生成的物质稳定性较差引起的。利用平行因子分析法对三维同步荧光光谱数据进行分解获取有效的二维荧光光谱数据，当组分数为6，Δλ=60 nm时激发波长的载荷值最大，不同样品间差异最显著。选定Δλ=60 nm波段的二维荧光光谱数据用于智能评价，作为BP神经网络模型的输入值，以极性组分作为模型输出值，分别对菜籽油三种氧化模式数据建模训练。实验结果表明，三种氧化模式对应的训练集、验证集、测试集模型相关系数r均能达到0.9以上，其中常温氧化模式中验证集及测试集模型的相关系数r为1，输出值与目标值较接近，模型的预测效果较好；综合三种氧化模式数据建模，对应训练集、验证集、测试集模型的相关系数分别为0.999，0.913和0.988，均方误差均较小，说明该模型能准确判断菜籽油的不同氧化状态。因此，三维同步荧光光谱技术结合平行因子分析法、BP神经网络法建立快速检测模型能实现菜籽油不同氧化状态的判别，为菜籽油的氧化程度的评价提供新方法，同时为其他食用油的品质评价提供参考。     

A Parallel 3D Unsteady Flow Analysis in an Asymmetrically Constricted Vessel

In this study, parallel computation of unsteady incompressible flow in an asymmetrically constricted 3D vessel has been presented. A time accurate cell centered finite volume method (FVM) in conjunction with pseudo-compressibility technique and Roe's flux difference splitting of nonlinear terms has been employed for solving the Navier-Stokes (NS) equations on the multiple instruction multiple data (MIMD) machine VPP700. The influence of Reynolds' number ( Re ) and the Strouhal number ( St ) on flow dynamic factors like wall pressure (WP), wall shear stress (WSS), central axis velocity (CAV), etc., have been analyzed. Three-dimensional (3D) features in the formation and detachment of separation zones, which are sensitive to both Re and St have been noticed on the diverging wall of the constriction.     

Simple matching vs linear assignment in scheduling models with positional effects: A critical review

This paper addresses scheduling models in which a contribution of an individual job to the objective function is represented by the product of its processing time and a certain positional weight. We review most of the known results in the area and demonstrate that a linear assignment algorithm as part of previously known solution procedures can be replaced by a faster matching algorithm that minimizes a linear form over permutations. Our approach reduces the running time of the resulting algorithms by up to two orders, and carries over to a wider range of models, with more general positional effects. Besides, the same approach works for the models with no prior history of study, e.g., parallel machine scheduling with deterioration and maintenance to minimize total flow time.