Waveband selection for NIR spectroscopy analysis of soil organic matter based on SG smoothing and MWPLS methods

Chen, Huazhou; Pan, Tao; Chen, Jiemei; Lu, Qipeng

doi:10.1016/j.chemolab.2011.02.008

Cited by 140 publications

(69 citation statements)

References 8 publications

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“…Moving window PLS (MW-PLS), a well-performed and PLS-based method, is proven as an e®ective method for waveband selection in the analysis of many objects. [10][11][12]17,18,23 Absorbance is another important factor to consider because high absorbance leads to strong spectral absorption and noise interference, whereas low absorbance results in missing certain information. Each wavelength corresponds to an absorbance value in a spectrum.…”

Section: Introductionmentioning

confidence: 99%

“…However, waveband selection is necessary because the prediction e®ect of PLS is di±cult to improve when the signal-to-noise ratio of a waveband is not adequately high. 10,12,17,18 PLS analysis combined with waveband selection is important for spectral analysis of complex systems. Moving window PLS (MW-PLS), a well-performed and PLS-based method, is proven as an e®ective method for waveband selection in the analysis of many objects.…”

Section: Introductionmentioning

confidence: 99%

“…Given that NIR absorption strength is weak, most sample types can be measured directly without preprocessing and reagents. The NIR spectroscopic analysis is a rapid and reagentless technique that has been proven to be a powerful analytical tool for use in agriculture, [9][10][11][12][13] food, 14,15 environment, 16,17 medicine, 18,19 pharmaceuticals, 20 and so on. However, to the best of our knowledge, a quanti¯cation method for TCP using NIR spectroscopy has not been developed yet.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

AO–MW–PLS method applied to rapid quantification of teicoplanin with near-infrared spectroscopy

Chen

Pan

et al. 2017

J. Innov. Opt. Health Sci.

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Teicoplanin (TCP) is an important lipoglycopeptide antibiotic produced by fermenting Actinoplanes teichomyceticus. The change in TCP concentration is important to measure in the fermentation process. In this study, a reagent-free and rapid quanti¯cation method for TCP in the TCP-Tris-HCl mixture samples was developed using near-infrared (NIR) spectroscopy by focusing our attention on the fermentation process for TCP. The absorbance optimization (AO) partial least squares (PLS) was proposed and integrated with the moving window (MW) PLS, which is called AO-MW-PLS method, to select appropriate wavebands. A model set that includes various wavebands that were equivalent to the optimal AO-MW-PLS waveband was proposed based on statistical considerations. The public region of all equivalent wavebands was just one of the equivalent wavebands. The obtained public regions were 1540-1868 nm for TCP and 1114-1310 nm for Tris. The root-mean-square error and correlation coe±cient for leave-oneout cross validation were 0.046 mg mL À1 and 0.9998 mg mL À1 for TCP, and 0.235 mg mL À1 and 0.9986 mg mL À1 for Tris, respectively. All the models achieved highly accurate prediction e®ects, and the selected wavebands provided valuable references for designing specialized spectrometers. This study provided a valuable reference for further application of the proposed methods to TCP fermentation broth and to other spectroscopic analysis¯elds.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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AO–MW–PLS method applied to rapid quantification of teicoplanin with near-infrared spectroscopy

Chen

Pan

et al. 2017

J. Innov. Opt. Health Sci.

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“…Therefore, it is necessary to use appropriate pretreatment method to eliminate the baseline drift, tilt and other noises. The Savitzky-Golay (SG) smoothing is an efficient spectral pretreatment method with a wide range of application [3] [7] [11] [21]. In the present study, the PLS method combined with SG smoothing was applied to the NIR analysis of corn moisture.…”

Section: Introductionmentioning

confidence: 99%

“…It is well known, near-infrared (NIR) spectroscopy as a simple and quick tool has been effectively utilized in various fields for quantitative and qualitative analysis, such as agriculture [1] [2] [3] [4] [5], food [6] [7], environment [8] [9], biomedicine [10]- [15], medicine [16] [17], and so on [1] [18]. However, the used NIR equipment is mainly indoor general-purpose equipment, which is bulky, costly, and cannot meet the needs of large-scale applications, especially for the applications in the agricultural field.…”

Section: Introductionmentioning

confidence: 99%

Spectral Correction Method of Multi-Channels Near-Infrared Spectrometer and Applications

Pan¹,

Xu²,

Shen³

et al. 2017

AJAC

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Near-infrared (NIR) spectrometer based on semiconductor lasers can combine light source and splitter into one, which is an important direction for development of miniature instruments. In order to avoid random interference caused by inconsistency between light sources, the novel evaluation indicators for global stability of multi-channels spectral system were proposed based on the correlation between dynamic deviation spectra of any two channels. The NIR analysis of moisture for corn powder samples based on the partial least squares combined with Savitzky-Golay (SG) smoothing was taken as an example, and a spectral correction method for enhancing prediction performance of multi-channels spectral system was further provided using above evaluation indicators. The experiment results showed that the global stability evaluation indicators significantly increased after SG smoothing correction. Meanwhile, the root-mean-square errors of prediction for corn moisture reduced from 0.373 to 0.283 (%), and the correlation coefficient between predicted and actual values was improved from 0.702 to 0.855. The above results indicated that by improving global stability indicators, the prediction ability of multi-channels spectral system can be improved. The proposed method provided a valuable reference for designing multi-channels diminutive spectrometer with high prediction performance, which had significance for large-scale application of NIR technology.

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Spectral interval optimization on rapid determination of prohibited addition in pesticide by ATR‐FTIR

Huang

Song

et al. 2019

Pest Management Science

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BACKGROUND Acetamiprid, as a low‐toxicity pesticide, has already been extensively used to increase plant production and quality. Although fipronil has been prohibited, it is usually illicitly added to acetamiprid due to its particular insecticidal action and effect, so it is highly desirable to obtain a rapid and effective method to detect its concentration. Mid‐infrared spectroscopy (MIR) combined with two variable selection methods, interval combination optimization (ICO) and interval partial least squares (iPLS), were used to determinate the prohibited addition of fipronil. RESULTS The full spectra for both ICO and iPLS were divided into 40 equal‐width intervals. Consequently, 45 and 135 characteristic variables were extracted from ICO and iPLS to establish the models. Compared with iPLS, the ICO model acquired a more suitable spectral region and as a result gained a higher prediction accuracy. Specifically, the ICO method selected the characteristic wavelengths ascribed to CF and CN (in five‐membered heterocyclics), iPLS chose the intervals associated with CF and SO. CONCLUSION Results revealed that MIR combined with ICO could be efficiently used for rapid identification of illegal addition and had great potential to provide on‐site pesticide quality control. © 2018 Society of Chemical Industry

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Waveband selection for NIR spectroscopy analysis of soil organic matter based on SG smoothing and MWPLS methods

Cited by 140 publications

References 8 publications

AO–MW–PLS method applied to rapid quantification of teicoplanin with near-infrared spectroscopy

AO–MW–PLS method applied to rapid quantification of teicoplanin with near-infrared spectroscopy

Spectral Correction Method of Multi-Channels Near-Infrared Spectrometer and Applications

Spectral interval optimization on rapid determination of prohibited addition in pesticide by ATR‐FTIR

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