Decomposition of circular dichroism of norepinephrine by singular value decomposition-least square method

Singular value decomposition - least squares (SVDLS), a new method for processing the multiple spectra with multiple wavelengths and multiple components in thin layer spectroelectrochemistry has been developed. The CD spectra of three components, norepinephrine reduced form of norepinephrinechrome and norepinephrinequinone, and their fraction distributions with applied potential were obtained in three redox processes of norepinephrine from 30 experimental CD spectra, which well explains electrochemical mechanism of norepinephrine as well as the changes in the CD spectrum during the electrochemical processes.

Euler Solution Using Adaptive Cartesian Grid With A Gridless Boundary Treatment

A quadtree-based adaptive Cartesian grid generator and flow solver were developed. The grid adaptation based on pressure or density gradient was performed and a gridless method based on the least-square fashion was used to treat the wall surface boundary condition, which is generally difficult to be handled for the common Cartesian grid. First, to validate the technique of grid adaptation, the benchmarks over a forward-facing step and double Mach reflection were computed. Second, the flows over the NACA 0012 airfoil and a two-element airfoil were calculated to validate the developed gridless method. The computational results indicate the developed method is reasonable for complex flows.

Novel method to construct a quality map for phase unwrapping based on modulation and the phase gradient

A novel method to construct a quality map, called modulation-phase-gradient variance (MPGV), is proposed, based on modulation and the phase gradient. The MPGV map is successfully applied to two phase-unwrapping algorithms - the improved weighted least square and the quality-guided unwrapping algorithm. Both simulated and experimental data testify to the validity of our proposed quality map. Moreover, the unwrapped-phase results show that the new quality map can have higher reliability than the conventional phase-derivative variance quality map in helping to unwrap noisy, low-modulation, and/or discontinuous phase maps. (c) 2006 Society of Photo-Optical Instrumentation Engineers.

Novel method to construct a quality map for phase unwrapping based on modulation and the phase gradient

A novel method to construct a quality map, called modulation-phase-gradient variance (MPGV), is proposed, based on modulation and the phase gradient. The MPGV map is successfully applied to two phase-unwrapping algorithms - the improved weighted least square and the quality-guided unwrapping algorithm. Both simulated and experimental data testify to the validity of our proposed quality map. Moreover, the unwrapped-phase results show that the new quality map can have higher reliability than the conventional phase-derivative variance quality map in helping to unwrap noisy, low-modulation, and/or discontinuous phase maps. (c) 2006 Society of Photo-Optical Instrumentation Engineers.

一种步进扫描投影光刻机承片台不平度检测新技术

提出一种步进扫描投影光刻机承片台不平度检测新技术。在晶圆与承片台存在不同偏移量时,利用线性差分传感器在线测量晶圆上不同点的局部高度;通过建立临时边界条件,以递推法消除晶圆面形影响,并逐行计算出承片台的相对不平度;通过逐行计算的结果递推相邻行之间的高度差,并将该高度差叠加到每一行,以消除临时边界条件的限制,得到处于同一高度上的承片台不平度;将计算的结果作为初始值,根据最小二乘原理,以邻近的四个测量点作为参考,逐步逼近得到承片台的真实不平度。计算机仿真结果验证了该检测方法的正确性,计算结果逐步收敛并逼近真实值

一种测量光刻机工件台方镜不平度的新方法

提出一种新的步进扫描投影光刻机工件台方镜不平度测量方法。以方镜平移补偿量与旋转补偿量为测量目标,使用两个双频激光干涉仪分别测量工件台在x和y方向的位置和旋转量；将方镜不平度的测量按照一定的偏移量分成若干个序列,每一个序列包括对方镜有效区域的若干次往返测量；根据所有序列的测量结果计算出方镜的旋转补偿量；为每一个序列建立临时边界条件,并据此计算出每一序列所测得的方镜粗略平移补偿量；采用三次样条插值与最小二乘法建立每一个序列间的关系,以平滑连接所有测量序列得到精确的方镜平移补偿量。结果表明,该方法用于测量方镜平

一种检测光刻机激光干涉仪测量系统非正交性的新方法

提出一种精确检测光刻机激光干涉仪测量系统非正交性的新方法。将对准标记曝光到硅片表面并进行显影;利用光学对准系统测量曝光到硅片上的对准标记理论曝光位置与实际读取位置的偏差;由推导的位置偏差与非正交因子、坐标轴尺度比例、过程引入误差的线性模型,根据最小二乘原理计算出干涉仪测量系统的非正交性。实验结果表明,利用该方法使用同一硅片在不同旋转角下进行测量,干涉仪测量系统非正交因子的测量重复精度优于0.01 μrad,坐标轴尺度比例的测量重复精度优于0.7×10-6。使用不同的硅片进行测量,非正交因子的测量再现性优于

Room-temperature photoluminescence of ZnO/MgO multiple quantum wells deposited by reactive magnetron sputtering

Wurtzite ZnO/MgO superlattices were successfully grown on Si (001) substrates at 750 degrees C using radio-frequency reactive magnetron sputtering method. X-ray reflection and diffraction, electronic probe and photoluminescence analysis were used to characterize the multiple quantum wells (MQWs). The results showed the periodic layer thickness of the MQWs to be 1.85 to 22.3 nm. The blueshift induced by quantum confinement was observed. Least square fitting method was used to deduce the zero phonon energy of the exciton from the room-temperature photoluminescence. It was found that the MgO barrier layers has a much larger offset than ZnMgO. The fluctuation of periodic layer thickness of the MQWs was suggested to be a possible reason causing the photoluminescence spectrum broadening.

A geometrical model of GaN morphology in initial growth stage

Based on morphology observed by atomic force microscopy, a geometrical model was proposed in order to explain the statistical results obtained from morphology observation on GaN in initial growth stage. Four parameters were introduced to describe the morphology characteristics in this model. Least-square fitting of height distribution was performed. The height distribution derived from the model agreed well with that obtained from experimental records. It was also found that the model should be further advanced to understand the growth of GaN in initial growth stage. (C) 2002 Elsevier Science BY. All rights reserved.

Kinetic spectra of light-adaptation dark-adaptation and M-intermediate of BR-D96N

BR-D96N is a kind of genetically site-specific mutants of bacteriorhodopsin (BR) with obvious photochromic effect. Compared to the wild type BR, the lifetime of M state of BR-D96N is prolonged to several minutes so that the photochromic kinetics and the intermediates formation can be studied by the conventional spectra analysis. In the experiment, the absorption spectra of the sample at different time after light illumination are measured with spectrophotometer. By fitting and analyzing the variation of the spectra, we suppose that there are three main states in the, photochromic process, i.e., B state (light-adapted state), M state and D state (dark-adapted state). The absorption spectra of the B state, M state and D state are extracted from the experimental data based on this three-state model and the spectra at various time are fitted with the least-square method. So, the variations of population percentages of the M state, B state and D state are obtained and the M state and B state lifetimes are estimated. In another way, from the measurement of the absorption dynamics at 407 and 568 nm, the M state and B state lifetimes are also obtained by two exponential data fitting, which give coincident results with those of the spectra analysis. (C) 2003 Elsevier Science B.V. All rights reserved.

Photochromic kinetic spectra and intermediates of BR-D96N

BR-D96N is a kind of genetically site-specific mutant of bacteriorhodopsin (BR) with obvious photochromic effect. Compared to the wild type BR, the lifetime of M state of BR-D96N is prolonged to several minutes so that the photochromic kinetics and the intermediates formation can be studied by the conventional spectra analysis. In the experiment, the absorption spectra of the sample at different time after light illumination are measured with spectrophotometer. By fitting and analyzing the variation of the spectra, we suppose there-are three main states in the photochromic process, i.e. B state (light-adapted state), M state and D state (dark-adapted state). The absorption spectra of the B state, M state and D state are extracted from the experimental data based on this three-state model and the spectra at various time are fitted With the least square method. So, the variations of population percentages of the M state, B state and D state are obtained and the M state and B state lifetimes are estimated. In another,way, from measuring the absorption dynamics at 407 nm and 568 nm, the M state and B state lifetimes are also obtained by two exponential data fitting, which give coincident results with those of the spectra analysis.

Fast simulation of the forward tracking detector of HPLUS

The necessity of installing a forward tracking detector stack is discussed for the Hadron Physics LanzhoU Spectrometer(HPLUS). A local tracker is developed to solve the multi-track finding problem. The track candidates are searched iteratively via Hough Transform. The fake tracks are removed by a least square fitting process. With this tracker we have studied the feasibility of pp -> pp + phi(-> K+K-), a typical physical channel proposed on HPLUS. The single track momentum resolution due to the uncertainty of the positioning in FTD is 1.3%. The multiple scattering effect contributes about 20% to the momentum resolution in the FTD coverage. The width and the signal-to-background ratio of the reconstructed phi are 1.51 MeV and 4.36, respectively, taking into account the direct Kaon channel pp -> pp + K+K- as background. The geometry coverage of FTD for phi events is about 85.4%. Based on the current fast simulation and estimation, the geometrical configuration of FTD meets the physical requirement of HPLUS under the current luminosity and multiplicity conditions. The tracker is applicable in the full simulation coming next and is extendable to other tracking component of HPLUS.

Observation of a Possible New Isomer in Ir-175

The neutron deficient nuclide Ir-175 was produced by irradiation of Nd-146 with 210 MeV Cl-35 via a fusion-evaporation reaction channel. The reaction products were transported to a low-background location using a helium-jet recoil fast-moving tape-transport system for measurement. The experimental devices and data analysis method are introduced. Based on the decay-curve fitting of the beta-delayed gamma ray from Ir-175, realized by the least-square method, a new long-lived isomeric state of Ir-175 is proposed and briefly discussed.

Low-temperature heat capacities and standard molar enthalpy of formation of aspirin

Molar heat capacities (C-p,C-m) of aspirin were precisely measured with a small sample precision automated adiabatic calorimeter over the temperature range from 78 to 383 K. No phase transition was observed in this temperature region. The polynomial function of Cp, vs. T was established in the light of the low-temperature heat capacity measurements and least square fitting method. The corresponding function is as follows: for 78 Kless than or equal toTless than or equal to383 K, C-p,C-m/J mol(-1) K-1=19.086X(4)+15.951X(3)-5.2548X(2)+90.192X+176.65, [X=(T-230.50/152.5)]. The thermodynamic functions on the base of the reference temperature of 298.15 K, {DeltaH(T)-DeltaH(298.15)} and {S-T-S-298.15}, were derived.

Comparison of steroid substrates and inhibitors of P-glycoprotein by 3D-QSAR analysis

Steroid derivatives show a complex interaction with P-glycoprotein (Pgp). To determine the essential structural requirements of a series of structurally related and functionally diverse steroids for Pgp-mediated transport or inhibition, a three-dimensional quantitative structure activity relationship study was performed by comparative similarity index analysis modeling. Twelve models have been explored to well correlate the physiochemical features with their biological functions with Pgp on basis of substrate and inhibitor datasets, in which the best predictive model for substrate gave cross-validated q(2) = 0.720, non-cross-validated r(2) = 0.998, standard error of estimate SEE = 0.012, F = 257.955, and the best predictive model for inhibitor gave q(2) = 0.536, r(2) = 0.950, SEE = 1.761 and F = 45.800. The predictive ability of all models was validated by a set of compounds that were not included in the training set. The physiochemical similarities and differences of steroids as Pgp substrate and inhibitor, respectively, were analyzed to be helpful in developing new steroid-like compounds. (C) 2004 Elsevier B.V. All rights reserved.