Vis-NIR wavelength selection for non-destructive discriminant analysis of breed screening of transgenic sugarcane

Guo, Hao-Song; Chen, Jiemei; Pan, Tao; Wang, Jihua; Gan, Cao

doi:10.1039/c4ay01833h

Cited by 70 publications

(27 citation statements)

References 24 publications

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“…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%

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%

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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“…Instead of the quantitative analysis for some components in the samples, its bases are the spectral overall features that are the spectral similarity of the samples of the same types and the spectral di®erences between samples of the di®erent types. Pattern recognition technology based on NIR spectral information is presently an important research area, 18 such as distinction of di®erent melon genotypes, 2 identi¯cation of transgenic sugarcane leaves, 9 and classi¯cation of multiple online petroleum industrial products. 17 Principal component analysis linear discriminant analysis (PCA-LDA) is the commonly well-performed method for spectral discriminant analysis.…”

Section: Introductionmentioning

confidence: 99%

“…17 Principal component analysis linear discriminant analysis (PCA-LDA) is the commonly well-performed method for spectral discriminant analysis. 2,9,17,18 The extraction of feature information and dimension reduction were performed based on a spectral data matrix that corresponds to variables (e.g., wavelengths) and samples. In general, the original data matrix for the entire scan range is directly subjected to PCA-LDA.…”

Section: Introductionmentioning

confidence: 99%

Moving-window bis-correlation coefficients method for visible and near-infrared spectral discriminant analysis with applications

Yao

Pan

et al. 2018

J. Innov. Opt. Health Sci.

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The moving-window bis-correlation coe±cients (MW-BiCC) was proposed and employed for the discriminant analysis of transgenic sugarcane leaves and -thalassemia with visible and nearinfrared (Vis-NIR) spectroscopy. The well-performed moving-window principal component analysis linear discriminant analysis (MW-PCA-LDA) was also conducted for comparison. A total of 306 transgenic (positive) and 150 nontransgenic (negative) leave samples of sugarcane were collected and divided to calibration, prediction, and validation. The di®use re°ection spectra were corrected using Savitzky-Golay (SG) smoothing with¯rst-order derivative (d ¼ 1), third-degree polynomial (p ¼ 3) and 25 smoothing points (m ¼ 25). The selected waveband was 736-1054 nm with MW-BiCC, and the positive and negative validation recognition rates (V REC þ , V REC À Þ were 100%, 98.0%, which achieved the same e®ect as MW-PCA-LDA. Another example, the 93 -thalassemia (positive) and 148 nonthalassemia (negative) of human hemolytic samples were collected. The transmission spectra were corrected using SG smoothing with d ¼ 1, p ¼ 3 and m ¼ 53. Using MW-BiCC, many best wavebands were selected (e.g., 1116-1146, 1794-1848 and 2284-2342 nm). The V REC þ and V REC À were both 100%, which achieved the same e®ect as MW-PCA-LDA. Importantly, the BiCC only required calculating correlation coe±cients between the spectrum of prediction sample and the average spectra of two types of calibration samples. Thus, BiCC was very simple in algorithm, and expected to obtain more applications. The results¯rst con¯rmed the feasibility of distinguishing -thalassemia and normal control samples by NIR spectroscopy, and provided a promising simple tool for large population thalassemia screening.

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Vis-NIR wavelength selection for non-destructive discriminant analysis of breed screening of transgenic sugarcane

Abstract: The Savitzky–Golay (SG) method and moving-window waveband screening are applied to a coupling model of principal component (PCA) and linear discriminant analyses (LDA).

Cited by 70 publications

References 24 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

Moving-window bis-correlation coefficients method for visible and near-infrared spectral discriminant analysis with applications

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