近红外光谱及类类比的软独立建模在黑钙土、露天矿和灰壤鉴别中的应用

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2016-06-01 DOI:10.1255/jnirs.1223

M. Todorova, S. Atanassova

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引用次数: 7

摘要

本研究的目的是利用近红外漫反射光谱和化学计量学来区分保加利亚的三种主要土壤类型- Chernozems, Luvisols和versols。在700 ~ 2500 nm的光谱范围内，对草地和耕地土壤中经风干和筛分的78个土壤样品进行了漫反射光谱分析，并将其分类为Chernozems、Luvisols和Vertisols。对土壤和黏土矿物光谱进行二阶导数变换，找出黏土矿物含量对土壤光谱的影响。采用类类比的软独立建模(SIMCA)方法对样本进行分类。结果表明，SIMCA模型在校准集和验证集上对样本的分类准确率均达到100%，可以根据类别对样本进行区分。根据SIMCA程序的识别功率参数，黑钙土、露地土和复土分类模型中最重要的波长与高岭石、蒙脱石等粘土矿物、蒙脱石矿物、有机质和碳酸盐含量有关。

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Near Infrared Spectra and Soft Independent Modelling of Class Analogy for Discrimination of Chernozems, Luvisols and Vertisols

The objective of the present study was to use near infrared diffuse reflectance spectroscopy and chemometrics to distinguish three major soil types in Bulgaria – Chernozems, Luvisols and Vertisols. The diffuse reflectance spectra of 78 air-dried and sieved soil samples collected from grasslands and arable agricultural lands and classified as Chernozems, Luvisols and Vertisols were obtained in the spectral range 700–2500 nm. Second-derivative transformation of soil and clay spectra was performed in order to find soil spectral differences based on the clay minerals content. Soft independent modelling of class analogy (SIMCA) was performed to classify samples according to their classes. Results show that the samples can be distinguished according to their classes as the SIMCA models correctly classified 100% of the samples in both calibration and validation sets. According to the discrimination power parameter of the SIMCA procedure, the most important wavelengths in the classification models of Chernozem, Luvisol and Vertisol soils were related to the content of clay minerals such as kaolinite and montmorillonite, smectite minerals, organic matter and carbonates.

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.