Department of Analytical Chemistry, University of Valencia, 50 Dr. Moliner Street, 46100 Burjassot, Valencia, Spain.
Environ Sci Technol. 2009 Dec 15;43(24):9314-20. doi: 10.1021/es9005898.
Multivariate partial least-squares (PLS) calibration models have been developed for the spatial and seasonal simultaneous monitoring of 14 trace elements (Al, As, Cd, Co, Cr, Cu, Fe, Mg, Mn, Ni, Pb, Sn, V, and Zn) in sediments from 117 samples taken in the estuary of the Nerbioi-Ibaizabal River. Models were based on the chemometric treatment of diffuse reflectance near-infrared (NIR) and attenuated total reflectance (ATR) mid infrared (MIR) spectra, obtained from samples previously lyophilized and sieved with a particle size lower than 63 microm. Vibrational spectra were scanned in both, NIR and MIR regions. Developed PLS models, based on the interaction between trace elements and organic mater provide good screening tools for the prediction of trace elements concentration in sediments.
已建立多元偏最小二乘(PLS)校准模型,用于同时监测 Nerbioi-Ibaizabal 河口 117 个沉积物样本中 14 种微量元素(Al、As、Cd、Co、Cr、Cu、Fe、Mg、Mn、Ni、Pb、Sn、V 和 Zn)的空间和季节性分布。模型基于对经冻干和过 63 微米筛的样品漫反射近红外(NIR)和衰减全反射(ATR)中红外(MIR)光谱的化学计量学处理。在 NIR 和 MIR 区域都扫描了振动光谱。基于微量元素与有机物相互作用的 PLS 模型为预测沉积物中微量元素浓度提供了良好的筛选工具。