光电直读光谱法分析钛合金时铝对碳干扰及校正

研究发现用光电直读光谱法分析钛合金时,碳工作曲线的精密度很差,其原因主要是共存的铝所引起,几种常用钛合金中铝含量高达[w（Al）]6％,在试样激发时,较高含量的铝在193．003nm波长处谱线强度较高,而此谱线与碳的分析线193．090nm十分靠近,造成了强度叠加的光谱干扰和正误差。在制作碳的工作曲线找到了通常遇到两类干扰,即平移干扰和转动干扰,并计算得到这两类干扰校正系数,利用校正系数可对仪器直接测得的谱线强度和工作曲线各实验点的强度作出校正,按校正后的工作曲线查得的钛合金试样的碳含量与已知值很符合。     

正交信号校正在人体血糖近红外光谱分析中的研究

本文以血清的近红外光谱为研究对象,首先运用载荷向量分析确定最佳定标谱区为4192-4943 cm-1与5294-7200 cm-1两个波段,然后分别用平滑、一阶导数、正交信号校正(OSC)预处理方法,结合偏最小二乘回归方法建立了血清中血糖的模型.用平滑、一阶导数所建立模型的预测标准偏差(RMSEP)分别是0.545、0.568,用OSC校正后所建立模型的RMSEP是0.390,结果表明使用OSC校正对光谱进行合理的校正,能够滤除光谱矩阵与浓度矩阵无关的信号,降低模型的因子数,从而降低模型的复杂性,提高模型的稳健性.     

开放式微波消化-ICP-MS法快速测定食品中多种微量元素

开放式微波消解系统消化食品样品 ,以 45Sc、89Y、1 1 5In、2 0 9Bi作内标元素抑制分析信号的动态漂移 ,加入 1 %异丙醇消除 C元素对 As、Se等元素的干扰 ,建立食品中多种元素同时测定的ICP- MS方法。对 4类食品 (奶粉、鹅肝酱、水果片、燕麦片 )中的 1 2种元素 (Al、Cr、Ni、Ge、As、Se、Ag、Cd、Sn、Sb、Pb、Hg)进行了直接测定 ,绝大部分回收率在 85 %— 1 1 0 %之间 ;线性相关系数均大于 0 .999;精密度 (RSD)值 <1 0 %。对国家标准物质 (SRM)进行了分析 ,测得值与标准参考值相吻合。该法灵敏度、精密度和准确度都能满足有关标准的要求 ,具有多元素同时分析、样品前处理简单、干扰少、测定快速准确 ,省事省力等优点。     

FULL DISCRETE TWO-LEVEL CORRECTION SCHEME FOR NAVIER-STOKES EQUATIONS

In this paper, a full discrete two-level scheme for the unsteady Navier-Stokes equations based on a time dependent projection approach is proposed. In the sense of the new projection and its related space splitting, non-linearity is treated only on the coarse level subspace at each time step by solving exactly the standard Galerkin equation while a linear equation has to be solved on the fine level subspace to get the final approximation at this time step. Thus, it is a two-level based correction scheme for the standard Galerkin approximation. Stability and error estimate for this scheme are investigated in the paper.     

关于TLS问题

1.引 言考虑观测线性系统AX=B,（1.1a）其中A∈Cm×n,B∈Cm×d（本文通篇假设m≥n d）,分别是精确但不可观测的A0∈Cm×n,B0∈Cm×d的近似,即精确线性系统是A0X=B0.（1.1b）Golub和Van Loan于1980年提出的总体最小二乘问题（以下简称TLS问题）就是求解线性系统AX=B（1.2）     

ICP─AES法多元素同时测定土壤、岩石和水系沉积物中基体元素干扰和校正方法的研究

本文研究了用ＩＣＰ－ＡＥＳ法同时测定土壤、岩石和水系沉积物样品中的多元素时，样品中基体元素对微量元素测定的光谱干扰问题。本文采用人工基体匹配与光谱干扰校正因子相结合的校正方法。对标准的制备，校正因子的选择以及校正因子的长期稳定性等进行了探讨，确定了最佳测定条件，完成了大量的国家“七五”、“八五”攻关课题样品分析任务，数据准确可靠。     

矩阵投影算法用于校正ICP—AES中的光谱干扰

本文将矩阵投影算法应用于ＩＣＰ－ＡＥＳ中光谱干扰的校正，在有关文献方法基础上，对残差作了进一步的校正，并采用最优化技术确定背景光谱的最优解，因而提高了方法的准确度。对实际干扰体系的校正结果表明，本方法能够对ＩＣＰ－ＡＥＳ中比较复杂的结构背景以及谱线重叠干扰进行较为准确地校正。     

Correction function on biased results due to matrix effects: Application to the routine analysis of pesticide residues

A new strategy to carry out the correction of analytical results affected by systematic errors due to the matrix effect is proposed. Two types of external calibrations must be established with the purpose to estimate the matrix effect: solvent calibration (SC) and matrix-matched calibration (MC). These calibration curves are statistically compared and a correction function (CF) is proposed with the aim to simplify the resolution to the problems associated with the incidence of matrix systematic error in the analytical results. Applying this correction function to the results obtained from the solvent calibration, it is possible to make a prediction of the values that would be obtained when the matrix-matched calibration is applied. On the other hand, a rigorous study of the associated uncertainty is developed and applied to the calculated correction function. Finally, this correction function is validated by means of obtained data of recovery studies carried out by a traditional methodology. The methodology has been satisfactorily applied to the quantification of the pesticide procymidone by HPLC for assessing dermal exposure.     

PDA－ICP－AES中光谱干扰校正的卡尔曼滤波法研究

本实验采用光电二极管阵列（ＰＤＡ）检测器消除波长定位误差、并藉平滑处理原始光谱图以减轻随机噪声影响，研究了卡尔曼滤波法在ＰＤＡ－ＩＣＰ－ＡＥＳ中光谱干扰校正方面的应用，探讨了影响滤波结果准确性的若干因素。藉此法分析了一些合成试样，回收率一般为９０％～１１０％。     

Rank annihilation correction for the amendment of instrumental inconsistencies

The globalisation of the analysis of a series of individual measurements often results in more robust and reliable outcomes. However, instrumental drifts that can occur between individual measurements destroy the ideal data structure and thus the advantages. A method based on rank annihilation factor analysis (RAFA) is introduced for the correction of several types of instrumental inconsistencies. It can be applied to many series of bilinear datasets. Experimental examples discussed in this paper comprise the successful correction of non-uniform retention time drifts in chromatography due to temperature or pressure changes, wavelength shifts in IR spectroscopy in an industrial control situation, and background absorption shifts in UV-VIS spectroscopy applied to equilibrium investigations.