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Near- and mid-infrared spectroscopic determination of algal composition

机译:近红外和中红外光谱法测定藻类成分

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摘要

The objective of this study was to evaluate whether near-infrared reflectance spectroscopy (NIRS) or mid-infrared reflectance spectroscopy (MIRS) could be used to determine the composition of algal turf scrubber samples. We assayed a set of algal turf scrubber (ATS) samples (n=117) by NIRS, MIRS, and conventional means for ash, total sugar, mono-sugar, total N, and P content. A subset of these samples (n=64) were assayed by conventional means, MIRS, and NIRS for total lipid and total fatty acid content. We developed calibrations using all the samples and a one-out cross-validation procedure under partial least-squares regression. This process was repeated using 75% of randomly selected samples to develop the calibration and the remaining samples as an independent test set. Results using the entire sample set demonstrated that NIRS and MIRS can accurately determine ash (r2=0.994 and 0.995, respectively) and total N (r2=0.787 and 0.820, respectively) content, but not phosphorus, total sugar, or mono-sugar content in ATS samples. Results using the 64 sample subset indicated that neither NIRS nor MIRS can accurately determine lipid or total fatty acid content in ATS samples.
机译:这项研究的目的是评估是否可以使用近红外反射光谱(NIRS)或中红外反射光谱(MIRS)来确定藻类洗涤塔样品的成分。我们通过NIRS,MIRS和常规方法测定了一组藻类洗涤器(ATS)样品(n = 117),以测定灰分,总糖,单糖,总氮和磷含量。通过常规方法,MIRS和NIRS测定这些样品的子集(n = 64)的总脂质和总脂肪酸含量。我们使用所有样本和部分最小二乘回归下的一次性交叉验证程序开发了校准。使用75%的随机选择的样品重复此过程以建立校准,其余样品作为独立的测试集。使用整个样本集的结果表明,NIRS和MIRS可以准确测定灰分(分别为r 2 = 0.994和0.995)和总氮(r 2 = 0.787和0.820,分别是ATS样品中的磷含量,总糖或单糖含量,而不是磷含量。使用64个样本子集的结果表明,NIRS和MIRS均无法准确测定ATS样本中的脂质或总脂肪酸含量。

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