Influence of relaxation effects on probabilities of the 2s2p35S2－2s22p2 3P1，2 intercombination transitions in NII

Transition probabilities of the 2s2p^3 {}^5S_2－2s^22p^2 {}^3P_{1,2} intercombination transitions in NII have been calculated by using a large-scale multiconfiguration Dirac－Fock method. In the calculation the most important effects of relativity, correlation, and relaxation are considered. From the calculated transition probabilities, the lifetime of the 2s2p^3 {}^5S_2 metastable state is derived. The result is in excellent agreement with the latest experimental result. In the meantime the influence of anomalously strong relaxation effects on probabilities of the 2s2p^3 {}^5S_2－2s^22p^2 {}^3P_{1,2} lines in NII have been found.     

大视场短焦距镜头CCD摄像系统的畸变校正

从光学测量角度出发,结合计算机视觉中的摄像机标定方法,解决了大视场短焦距镜头CCD摄像系统的畸变校正问题。与摄像机标定不同,畸变校正中仅标定内部参数,外部参数作为已知条件。采用线性畸变模型,由最小二乘法解线性方程组得到摄像系统畸变模型的畸变系数。介绍了数字图像中像素间距和光学中心的标定方法。通过比较由标定参数得到的畸变图像和摄像机采集的畸变图像对实验标定精度进行评定,实验结果表明边缘视场(112°)的标定精度达到了0 75%。     

工业CT图像均匀性校正

在工业CT图像重建过程中,射束硬化使得图像出现“杯状”伪影,阵列探测器响应不一致使得图像出现环状伪影、带状伪影和点伪影,影响图像均匀性.本文分析了射束硬化的原理和探测器响应不一致的数学模型,并通过实验,对探测器响应进行多挡板定标得到校正系数表.利用查表插值的方法对投影数据进行均匀性校正,消除上述伪影.     

三十烷醇在GA_3影响水稻幼苗生长和生理性状中的增效作用

微量三十烷醇（ＴＲＩＡ）与ＧＡ３配合使用，比ＧＡ３单独使用能明显地促进幼苗生长和增加幼苗干物质积累．同时还增强了ＧＡ３对幼叶中叶绿素含量、可溶性蛋白质含量、呼吸速率、细胞膜透性和过氧化物酶活性的影响．ＧＡ３＋ＴＲＩＡ与ＧＡ３处理相比，促进幼叶内源ＧＡ３水平提高，稳定保持内源ＺＴ于一定水平，ＴＲＩＡ在ＧＡ３低浓度时降低ＩＡＡ水平，在高浓度时则提高ＩＡＡ水平．作者认为ＴＲＩＡ可作为ＧＡ３处理时的增效剂．     

Gradient- and Sensitivity-Enhanced TOCSY Experiments

A pulsed field gradient version of the sensitivity-enhanced 2D TOCSY experiment is proposed which yields high-quality spectra with improved sensitivity and a minimum of two scans pert₁increment. For rapid acquisition of 1D TOCSY spectra, the 1D DPFGSE–TOCSY experiment was modified to include phase-encoded multiple-selective excitation followed by a simple spectral editing. Combination of these two building blocks is used in a sensitivity-enhanced 2D analog of the 3D TOCSY–TOCSY experiment which provides an efficient tool for resolving severely overlapped signals of oligomers in short experimental time.     

Methods in carbon K-edge NEXAFS: Experiment and analysis

Near-edge X-ray absorption spectroscopy (NEXAFS) is widely used to probe the chemistry and structure of surface layers. Moreover, using ultra-high brilliance polarised synchrotron light sources, it is possible to determine the molecular alignment of ultra-thin surface films. However, the quantitative analysis of NEXAFS data is complicated by many experimental factors and, historically, the essential methods of calibration, normalisation and artefact removal are presented in the literature in a somewhat fragmented manner, thus hindering their integrated implementation as well as their further development. This paper outlines a unified, systematic approach to the collection and quantitative analysis of NEXAFS data with a particular focus upon carbon K-edge spectra. As a consequence, we show that current methods neglect several important aspects of the data analysis process, which we address with a combination of novel and adapted techniques. We discuss multiple approaches in solving the issues commonly encountered in the analysis of NEXAFS data, revealing the inherent assumptions of each approach and providing guidelines for assessing their appropriateness in a broad range of experimental situations.     

交替三线性分解算法结合高效液相色谱法同时测定水杨酸与龙胆酸

利用交替三线性分解算法(ATLD)与高效液相色谱法相结合,在色谱保留时间为0.662 8~0.949 5min(间隔1/150 min)、紫外吸收波长为268~332 nm(间隔2 nm)且在未知干扰物2,3-二羟基苯甲酸存在下,同时测定了水溶液中光谱及色谱严重重叠的水杨酸(SA)和龙胆酸(GA)的含量,回收率分别为(102.2±6.7)%,(102.1±4.1)%,分辨结果与实际结果一致。研究结果表明:该方法定量快速准确、实验操作步骤简单,说明ATLD算法收敛快速稳定,对复杂体系中组分数估计不敏感,能有效解决色谱中的二阶校正问题。     

人工神经网络及其在分析化学中的应用

人工神经网络是一种新兴的计算方法，有着广阔的发展前途，目前在分析化学领域已经有了多方面的应用。本文简要介绍了人工神经网络的原理及其在分析化学中的应用。     

Electrochiroptical systems based on biphenyl-2,2′-diyl-type dicationic dyes: strong chiroptical signals through the transmission of point chirality to axial chirality

Huge CD amplitude (A = +538) was attained by diastereomeric preference (50% de) for the title dication with two bis[4-(R)-sec-butoxyphenyl]methylium units in benzene at 23 °C. Intramolecular π-π stacking is the origin for effective transmission of point chirality to axial chirality to attain the chiroptical enhancement of 400-times. Thanks to the strong CD signaling, chiroptical changes upon electrolysis could be readily detected, thus realizing a new class of electrochiroptical response systems. Chiroptical properties could also be modified by solvent polarity.     

Multivariate calibration of near infrared spectra by orthogonal WAVElet correction using a genetic algorithm

Orthogonal WAVElet correction (OWAVEC) is a pre-processing method aimed at simultaneously accomplishing two essential needs in multivariate calibration, signal correction and data compression, by combining the application of an orthogonal signal correction algorithm to remove information unrelated to a certain response with the great potential that wavelet analysis has shown for signal processing. In the previous version of the OWAVEC method, once the wavelet coefficients matrix had been computed from NIR spectra and deflated from irrelevant information in the orthogonalization step, effective data compression was achieved by selecting those largest correlation/variance wavelet coefficients serving as the basis for the development of a reliable regression model. This paper presents an evolution of the OWAVEC method, maintaining the first two stages in its application procedure (wavelet signal decomposition and direct orthogonalization) intact but incorporating genetic algorithms as a wavelet coefficients selection method to perform data compression and to improve the quality of the regression models developed later. Several specific applications dealing with diverse NIR regression problems are analyzed to evaluate the actual performance of the new OWAVEC method. Results provided by OWAVEC are also compared with those obtained with original data and with other orthogonal signal correction methods.