Near-infrared absorption and scattering separated by extended inverted signal correction (EISC): Analysis of near-infrared transmittance spectra of single wheat seeds
Near-infrared absorption and scattering separated by extended inverted signal correction (EISC): Analysis of near-infrared transmittance spectra of single wheat seeds
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DOI：
10.1366/000370202760295467
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发表时间：
2002-09-01
影响因子：
3.5
通讯作者：
Engelsen, SB
中科院分区：
文献类型：
--
作者：
Pedersen, DK;Martens, H;Engelsen, SB
提出了一种新的扩展方法，用于分离光谱测量中的散射和吸光度，即扩展倒置信号校正（EISC），并与乘法信号校正（MSC）及其现有修改进行比较。 EISC 预处理应用于单个小麦籽粒的近红外透射 (NIT) 光谱，目的是通过偏最小二乘回归 (PLSR) 改进蛋白质含量的多变量校准。 EISC 方法的主要理由是有助于消除与目标分析物浓度不相关的光谱伪影和干扰。在本研究中，EISC 以一般形式应用，包括加法项、乘法项、光散射系数的波长依赖性和简单多项式项。它与光谱预处理的传统 MSC 和衍生方法进行了比较。 EISC 的性能与通过首先计算二阶导数 NIT 光谱，然后计算 MSC 获得的更复杂的双转换模型相当。基于 EISC 预处理的校准模型比基于原始数据、二阶导数、MSC 和 MSC 其次二阶导数的模型表现更好。
A new extended method for separating, e.g., scattering from absorbance in spectroscopic measurements, extended inverted signal correction (EISC), is presented and compared to multiplicative signal correction (MSC) and existing modifications of this. EISC preprocessing is applied to near-infrared transmittance (NIT) spectra of single wheat kernels with the aim of improving the multivariate calibration for protein content by partial least-squares regression (PLSR). The primary justification of the EISC method is to facilitate removal of spectral artifacts and interferences that are uncorrelated to target analyte concentration. In this study, EISC is applied in a general form, including additive terms, multiplicative terms, wavelength dependency of the light scatter coefficient, and simple polynomial terms. It is compared to conventional MSC and derivative methods for spectral preprocessing. Performance of the EISC was found to be comparable to a more complex dual-transformation model obtained by first calculating the second derivative NIT spectra followed by MSC. The calibration model based on EISC preprocessing performed better than models based on the raw data, second derivatives, MSC, and MSC followed by second derivatives.