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Optimal Selection of Mid-Infrared Wavelengths for Determination of Nitrate in Soil using ATR Spectroscopy

机译:使用ATR光谱法测定土壤中硝酸盐中的中红外波长的最佳选择

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Recent studies have shown that attenuated total reflectance (ATR) spectroscopy in the mid-infrared (mid-IR) range could be used to determine nitrate concentration in soil pastes. While these results were obtained using continuous spectra and chemometric methods (such as partial least squares-PLS), the present study investigates the possibility of using only spectral absorbance at several fixed wavelengths. A three-step procedure for determining the most appropriate wavelengths, as well as their width, is described. This procedure is applied to a dataset that includes eleven soils with various nitrate concentrations ranging from 0 to approximately 150 mg[N]/kg[dry soil]. The results show that nitrate concentration can be determined with only four wavelengths, namely 1280, 1330, 1379, and 1430 cm{sup}(-1). The prediction errors range from approximately 1.5 to 14.0 mg[N]/kg[dry soil], depending on soil composition and moisture content. For the lighter soils, which are the most vulnerable pollutionwise, the errors are inferior to 10 mg[N]/kg[dry soil]. These results are similar to results obtained by applying PLS to the continuous spectrum, and indicate that the development of a soil nitrate ATR sensor based on a few fixed mid-IR wavelengths could be considered.
机译:最近的研究表明,中红外(中红外)范围中的衰减总反射(ATR)光谱可用于确定土壤浆料中的硝酸盐浓度。虽然使用连续光谱和化学计量方法(例如局部最小二乘-PL)获得这些结果,但本研究研究了仅在几个固定波长下使用光谱吸光度的可能性。描述用于确定最合适的波长以及它们的宽度的三步过程。该过程应用于数据集,该数据集包括具有各种硝酸盐浓度的11个土壤,范围为0至约150mg [N] / kg [干燥土壤]。结果表明,硝酸盐浓度可以仅用四个波长,即1280,1330,1379和1430cm {sup}( - 1)测定。根据土壤组合物和水分含量,预测误差范围为约1.5至14.0mg [n] / kg [干燥土壤]。对于较轻的土壤,这是最脆弱的污染,误差较差至10mg [n] / kg [干燥土壤]。这些结果类似于通过将PLS向连续光谱施加到连续光谱而获得的结果,并且可以考虑基于少量固定的中红外波长的土壤硝酸盐ATR传感器的开发。

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