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Application of ftir-pas and raman spectroscopies for the determination of organic matter in farmland soils

文献类型:期刊论文

作者Xing, Zhe1,2; Du, Changwen1; Tian, Kang1,2; Ma, Fei1; Shen, Yazhen1; Zhou, Jianmin1
刊名Talanta
出版日期2016-09-01
卷号158页码:262-269
ISSN号0039-9140
关键词Ftir-pas spectroscopy Raman spectroscopy Soil organic matter Principal component analysis (pca) Partial least -squares regression (plsr) Model-population analysis (mpa)
DOI10.1016/j.talanta.2016.05.076
通讯作者Du, changwen(chwdu@issas.ac.cn)
英文摘要In soil analysis, raman spectroscopy is not as widely used as infrared spectroscopy mainly owing to fluorescence interferences. this paper investigated the feasibility of fourier-transform infrared photo acoustic (ftir-pas) and raman spectroscopies for predicting soil organic matter (som) using partial least squares regression (plsr) analysis. 194 farmland soil samples were collected and scanned with ftir and raman spectrometers in the spectral range of 4000-400 cm(-1) and 180-3200 cm(-1), respectively. for the plsr models, the combined dataset was split into 146 samples as the calibration set (75%) and 48 samples as the validation set (25%). the optimal number of analytical factors was determined using a leave-one-out cross-validation. the results showed that som could be predicted using ftir-pas and raman spectroscopies independently, with r-2>0.70 and rpd > 1.8 for the validation sets. in comparison to the single applications of ftir-pas and raman spectroscopies, accurate prediction of som was made by combining ftir-pas and raman spectroscopies, with r-2=0.81 and rpd=2.18 for the validation sets. by statistically assessing large amounts of pls models, model-population analysis confirmed that the accuracy of the pls model can be increased by combining ftir-pas and raman spectroscopies. in conclusion, the combination of ftir-pas and raman spectroscopies is a promising alternative for soil characterization, especially for the prediction of sum, owing to the availability of complementary information from both ftir-pas (polar vibrations) and raman spectroscopy (non-polar vibrations). (c) 2016 elsevier b.v. all rights reserved.
WOS关键词MIDINFRARED PHOTOACOUSTIC-SPECTROSCOPY ; DIFFUSE-REFLECTANCE SPECTROSCOPY ; GREEN ANALYTICAL-CHEMISTRY ; X-RAY-FLUORESCENCE ; HUMIC ACIDS ; INFRARED-SPECTROSCOPY ; VARIABLE SELECTION ; NIR SPECTROSCOPY ; CARBON CONTENT ; QUALITY
WOS研究方向Chemistry
WOS类目Chemistry, Analytical
语种英语
出版者ELSEVIER SCIENCE BV
WOS记录号WOS:000379370400035
URI标识http://www.irgrid.ac.cn/handle/1471x/2374644
专题中国科学院大学
通讯作者Du, Changwen
作者单位1.Chinese Acad Sci, Inst Soil Sci, State Key Lab Soil & Sustainable Agr, Nanjing 210008, Jiangsu, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100039, Peoples R China
推荐引用方式
GB/T 7714
Xing, Zhe,Du, Changwen,Tian, Kang,et al. Application of ftir-pas and raman spectroscopies for the determination of organic matter in farmland soils[J]. Talanta,2016,158:262-269.
APA Xing, Zhe,Du, Changwen,Tian, Kang,Ma, Fei,Shen, Yazhen,&Zhou, Jianmin.(2016).Application of ftir-pas and raman spectroscopies for the determination of organic matter in farmland soils.Talanta,158,262-269.
MLA Xing, Zhe,et al."Application of ftir-pas and raman spectroscopies for the determination of organic matter in farmland soils".Talanta 158(2016):262-269.

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