School of Chemical Engineering and Advanced Materials, Newcastle University, Merz Court, Newcastle upon Tyne NE1 7RU, United Kingdom.
Anal Chem. 2011 Mar 15;83(6):1931-7. doi: 10.1021/ac1024073. Epub 2011 Feb 22.
The effectiveness of a scatter correction approach based on decoupling absorption and scattering effects through the use of the radiative transfer theory to invert a suitable set of measurements is studied by considering a model multicomponent suspension. The method was used in conjunction with partial least-squares regression to build calibration models for estimating the concentration of two types of analytes: an absorbing (nonscattering) species and a particulate (absorbing and scattering) species. The performances of the models built by this approach were compared with those obtained by applying empirical scatter correction approaches to diffuse reflectance, diffuse transmittance, and collimated transmittance measurements. It was found that the method provided appreciable improvement in model performance for the prediction of both types of analytes. The study indicates that, as long as the bulk absorption spectra are accurately extracted, no further empirical preprocessing to remove light scattering effects is required.
通过使用辐射传输理论来解耦吸收和散射效应，基于这种方法的散点校正方法的有效性，通过考虑一个模型多组分悬浮液来进行研究。该方法与偏最小二乘回归相结合，建立了用于估计两种分析物浓度的校准模型：一种吸收（无散射）物质和一种颗粒（吸收和散射）物质。通过这种方法建立的模型的性能与应用经验散射校正方法对漫反射、漫透射和准直透射测量的性能进行了比较。结果表明，该方法对两种分析物的预测都显著提高了模型性能。研究表明，只要准确提取了总体吸收光谱，就不需要进一步的经验预处理来去除光散射效应。
