Multivariate calibration of on-line enrichment near-infrared (NIR) spectra and determination of trace lead in water

作者：Huang Zixia; Tao Wei; Fang Juanjuan; Wei Xuemei; Du Yiping^*

来源：Chemometrics and Intelligent Laboratory Systems, 2009, 98(2): 195-200.

DOI：10.1016/j.chemolab.2009.07.001

• Near-infrared spectroscopy (NIRS)
• Lead
• Partial least squares (PLS)
• Enrichment

An on-line enrichment near-infrared spectroscopy (NIRS) technique was developed in order to improve the sensitivity for the determination of trace heavy metal lead. Trace Pb(2+) was enriched by chelating resin with on-line enrichment equipment and then the enriched lead on the resin was directly determined by near-infrared diffuse reflectance spectroscopy without elution procedure for simplicity of measurements. Partial least squares (PLS) regression was used to build models between the corrected spectra and concentrations of Pb(2+), and segmental cross-validation was used to search for a reasonable number of PLS factors. The results showed that NIR spectra and concentrations of Pb(2+) had a good linear relationship with the maximum of correlation coefficient of 0.9228 in the 1006-1383 nm region. The minimum RMSEP was 0.4777 mg L(-1) when the latent variable number was 5 by using the region of 1006-1383 nm. The limit of detection (LOD) of lead was 0.2384 mg L(-1) in this case. This study demonstrates that the prediction of trace heavy metal lead concentrations by NIRS is feasible with enrichment technique.

• 出版日期2009-10-15
• 单位华东理工大学