阳离子交换树脂分离—偏最小二乘光度法测定地质样品中的金,铂,…

本文采用阳离子交换树脂分离地质样品中的贱金属元素，利用偏最小二乘回归光度法在Ｍｎ＾＋－ＳｎＣｌ２－丁基罗丹明Ｂ－阿拉伯胶－乳化剂ＯＰ高灵敏的离子缔合物体系中对金、铂、钯、铑同时进行测定。结果表明，该方法灵敏度高，操作简便，可同时测定地质样品中痕量贵金属元素金、铂、钯、铑，其标准回入回收率为９２．４％￣１０７％。     

模糊聚类—催最小二乘回归光度法同时测定地质样品中金铂钯铑的研究

将模糊聚类分析与偏最小二乘法相结合,对地质样品中吸收光谱严重重叠的贵金属多组分体系进行解析,较好地解决了计算光度分析中校准模型的优化问题,使计算结果的精度得到了显著提高,分析结果的相对误差小于１０％,标准偏差小于０．６７,明显优于一般偏最小二乘（ＰＬＳ）法。采用小铳试金法消除样品中贱金属元素的干扰,其回收率为９２％￣１０７％,标准偏差为０．１０￣０．６７;相对标准偏差为４．７％￣１１．０％,并对影     

偏最小二乘催化极谱法同时测定铂,钯,铑

应用Ｍ２７３Ａ电化学系统中的线性扫描技术，确定了０．７５ｍｏｌ／ＬＨ２ＳＯ４－１．５％ＮＨ４Ｃｌ－２．８ｍｍｏｌ／Ｌ（ＣＨ２）６Ｎ４－０．００２５％Ｎ２Ｈ４．Ｈ２ＳＯ４为偏最小二乘极谱法同时测定Ｐｔ、Ｐｄ、Ｒｈ的最佳极谱体系。Ｐｔ、Ｐｄ、Ｒｈ的线性范围为３．２ｍｇ／Ｌ、０－１５．０ｍｇ／Ｌ和０－１．０ｍｇ／Ｌ。模拟样品及实际样品的回收率在９０．３－１０７．７％之间。     

阳离子交换树脂分离-偏最小二乘光度法测定地质样品中的金、铂、钯、铑

本文采用阳离子交换树脂分离地质样品中的贱金属元素，利用偏最小二乘回归光度法在Mn＋－SnCl2－丁基罗丹明B－阿拉伯胶－乳化剂OP高灵敏的离子缔合物体系中对金、铂、钯、铑同时进行测定。结果表明，该方法灵敏度高，操作简便，可同时测定地质样品中痕量贵金属元素金、铂、钯、铑，其标准回入回收率为92．4％～107％。     

模糊聚类-偏最小二乘回归光度法同时测定地质样品中金铂钯铑的研究

将模糊聚类分析与偏最小二乘法相结合,对地质样品中吸收光谱严重重叠的贵金属多组份体系进行解析,较好地解决了计算光度分析中校准模型的优化问题,使计算结果的精度得到了显著提高,分析结果的相对误差小于 10%,标准偏差小于 0.67,明显优于一般偏最小二乘 (PLS)法。采用小锍试金法消除样品中贱金属元素的干扰,其回收率为 92%～107%,标准偏差为 0.10～0.67;相对标准偏差为 4.7%～11.0%。并对影响聚类效果的参数选择作了讨论。     

溶剂浮选—偏最小二乘回归光度法测定地质样品痕量贵金属元素

研究了贵金属Ｒｕ、Ｒｈ、Ｐｄ、Ａｕ－ＳｎＣｌ２－ＲＢ体系及缔和物溶剂浮选的条件,采用偏最小二乘回归法对重叠光谱进行解数据处理。对地质样品Ｒｕ、Ｒｈ、Ｐｄ、Ａｕ同时测定,相对误差小于１１．１％,标准差为０．００６２－０．０１９。     

用Amberlyst A—26树脂分离金,钯,铂的研究

本文用ＡｍｂｅｒｌｙｓｔＡ－２６大孔阴离子交换树龙分离及用ＴＭＫ分光光度法分别与同时测定金，钯，铂。研究酸度，流速，离子浓度，淋洗剂的选择，共存离子的干扰情况并应用于矿样的分析，得到满意的测定结果。     

胶束增溶光度法同时测定铂、铑、钯和金的研究

本文研究了贵金属Pt、Rh、Pd和Au在SnCl_2-BRB-AG-乳化剂OP离子缔合物体系中显色反应的条件,采用偏最小二乘回归法对上述体系重迭光谱进行解析及数据处理。结果表明,该体系灵敏度高,表观摩尔吸光系数可达1.74×10～6～2.47×10～6L·mol～-1·cm～-1;体系稳定性较好。应用本文方法对混合试样中Pt、Rh、Pd、Au进行同时测定,取得较满意的结果。     

加权最小二乘光度法同时测定钨和钼

痕量钨和钼与芦丁在混合表面活生剂（ＣＴＭＡＢ＋Ｂｒｉｊ－３５）存在下，于ｐＨ５．４ＨＡＣ－ＮａＡｃ介质中产生灵敏的显色反应，所形成的胶束配合物的吸收峰严重重叠。用加权最小二乘法成功地同时测定了混合样中的两组分。     

Simultaneous Determination of Dipyrone and Papaverine in Pharmaceutical Formulation using PLS Regression and UV Spectrophotometry

Abstract

A combination of sodium dipyrone and papaverine hydrochloride is used as an analgesic and antispasmodic drug. A simple and rapid procedure is proposed for simultaneous determination of these drugs in commercial formulations (Melpaz^®) based on partial least squares (PLS) regression and UV spectrophotometric measurements in the range of 218–300 nm. The calibration set was built with 25 solutions in concentrations ranging from 15.0–35.0 mg ml^?1 for dipyrone and from 0.5–1.5 mg ml^?1 for papaverine in methanol. The relative standard deviation (RSD) was 1.05% for dipyrone and 1.55% for papaverine in pharmaceutical formulations. The percent of relative recovery was 95.9% for dipyrone and 95.2% for papaverine. Figures of merit, such as accuracy, precision, sensitivity and adjust were also determined. The methodology was validated by using an independent method, based on high performance liquid chromatography (HPLC).     

pH校正最小二乘紫外分光光度法同时测定焦化废水中的吡啶,苯酚和萘

利用任一ｐＨ下被测组分的分布系数，提出ｐＨ校正最小二乘法。对不同ｐＨ的试样进行分析，既可简化分析步骤又可提高准确度。该ｐＨ校正原理同样适合于其它化学计量学光度法。利用该法对焦化废水中的吡啶、苯酚、萘混合三组分进行同时测定，得到了满意的结果。     

Near-Infrared Spectroscopy Analytical Model Using Ensemble Partial Least Squares Regression

A novel ensemble-based feature selection method was developed which is designated as ensemble partial least squares regression coeffientents (EPRC). It was composed of two steps: generating a series of different single feature selectors and aggregating them to reach a consensus. Specifically, the bootstrap resampling approach was used to generate a diversity of single feature selectors, and the absolute values of the regression coefficients of the partial least squares (PLS) model were used to rank the features. Next, these feature rankings out of single feature selectors were aggregated by the weighted-sum approach. Finally, coupled with the regression model, the features selected by EPRC were evaluated through cross validation and an independent test set. By experiments of constructing the spectroscopy analysis model on three near infrared spectroscopy (NIRS) datasets, it was shown that the EPRC located key wavelengths, gave a promotion to regression performance, and was more stable and interpretable to the domain experts.     

偏最小二乘法辅助分光光度法同时测定痕量锰、铁、铜和锌

痕量Mn（Ⅱ）、Fe（Ⅲ）、Cu（Ⅱ）和Zn（Ⅱ）与2－（5－溴－2－吡啶偶氮）－5－二乙氨基苯酚和聚乙二醇辛基本基醚在pH8．8发生高灵敏的显色反应，所形成的三元胶束络合物的吸收光谱严重重叠，用偏最小二乘法（PLS）辅助分光光度法成功地同时测定了模拟试样及铝合金和饲料添加剂中上述四种痕量组分。结果表明，PLS法是化学计量学法中一种可适用于基体较复杂的实际试样中痕量组分同时分光光度测定的优良的多元计算方法。