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化学计量学辅助分光光度法,使用2-苄基螺[异吲哚啉-1,5'-恶唑烷]-2',3,4'-三酮,结合连续小波变换和偏最小二乘法,同时测定不同食品、土壤和水样中的Pb²⁺和Cu²⁺离子 - 用秩湮灭因子分析计算配合物的pKf

Chemometrics-assisted spectrophotometric method for simultaneous determination of Pb²⁺ and Cu²⁺ ions in different foodstuffs, soil and water samples using 2-benzylspiro [isoindoline-1,5'-oxazolidine]-2',3,4'-trione using continuous wavelet transformation and partial least squares - calculation of pKf of complexes with rank annihilation factor analysis.

作者信息

Abbasi Tarighat Maryam, Nabavi Masoume, Mohammadizadeh Mohammad Reza

机构信息

Department of Chemistry, Faculty of Sciences, Persian Gulf University, Bushehr 75169, Iran.

Department of Chemistry, Faculty of Sciences, Persian Gulf University, Bushehr 75169, Iran.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jun 15;145:54-62. doi: 10.1016/j.saa.2015.02.048. Epub 2015 Feb 27.

DOI:10.1016/j.saa.2015.02.048
PMID:25766479
Abstract

A new multi-component analysis method based on zero-crossing point-continuous wavelet transformation (CWT) was developed for simultaneous spectrophotometric determination of Cu(2+) and Pb(2+) ions based on the complex formation with 2-benzyl espiro[isoindoline-1,5 oxasolidine]-2,3,4 trione (BSIIOT). The absorption spectra were evaluated with respect to synthetic ligand concentration, time of complexation and pH. Therefore according the absorbance values, 0.015 mmol L(-1) BSIIOT, 10 min after mixing and pH 8.0 were used as optimum values. The complex formation between BSIIOT ligand and the cations Cu(2+) and Pb(2+) by application of rank annihilation factor analysis (RAFA) were investigated. Daubechies-4 (db4), discrete Meyer (dmey), Morlet (morl) and Symlet-8 (sym8) continuous wavelet transforms for signal treatments were found to be suitable among the wavelet families. The applicability of new synthetic ligand and selected mother wavelets were used for the simultaneous determination of strongly overlapped spectra of species without using any pre-chemical treatment. Therefore, CWT signals together with zero crossing technique were directly applied to the overlapping absorption spectra of Cu(2+) and Pb(2+). The calibration graphs for estimation of Pb(2+) and Cu (2+)were obtained by measuring the CWT amplitudes at zero crossing points for Cu(2+) and Pb(2+) at the wavelet domain, respectively. The proposed method was validated by simultaneous determination of Cu(2+) and Pb(2+) ions in red beans, walnut, rice, tea and soil samples. The obtained results of samples with proposed method have been compared with those predicted by partial least squares (PLS) and flame atomic absorption spectrophotometry (FAAS).

摘要

基于零交叉点连续小波变换(CWT)开发了一种新的多组分分析方法,用于基于与2-苄基螺[异吲哚啉-1,5-恶唑烷]-2,3,4-三酮(BSIIOT)形成配合物同时分光光度法测定Cu(2+)和Pb(2+)离子。针对合成配体浓度、络合时间和pH值对吸收光谱进行了评估。因此,根据吸光度值,选用0.015 mmol L(-1)的BSIIOT、混合10分钟后以及pH 8.0作为最佳值。通过秩湮灭因子分析(RAFA)研究了BSIIOT配体与阳离子Cu(2+)和Pb(2+)之间的配合物形成。在小波族中发现Daubechies-4(db4)、离散Meyer(dmey)、Morlet(morl)和Symlet-8(sym8)连续小波变换适用于信号处理。新合成配体和选定母小波的适用性用于在不进行任何化学预处理的情况下同时测定物种的强重叠光谱。因此,将CWT信号与零交叉技术一起直接应用于Cu(2+)和Pb(2+)的重叠吸收光谱。通过分别测量小波域中Cu(2+)和Pb(2+)零交叉点处的CWT幅度,获得了用于估算Pb(2+)和Cu(2+)的校准曲线。通过同时测定红豆、核桃、大米、茶叶和土壤样品中的Cu(2+)和Pb(2+)离子,验证了所提出的方法。将所提出方法对样品的测定结果与偏最小二乘法(PLS)和火焰原子吸收分光光度法(FAAS)预测的结果进行了比较。

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