Prediction of Yellow-Poplar (Liriodendron Tulipifera) Veneer Stiffness and Bulk Density Using near Infrared Spectroscopy and Multivariate Calibration

2008 ◽  
Vol 16 (5) ◽  
pp. 487-496 ◽  
Author(s):  
Oluwatosin Emmanuel Adedipe ◽  
Ben Dawson-Andoh
Keyword(s):  
Bulk Density ◽  
Spectral Range ◽  
Predictive Models ◽  
Spectral Region ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
Nir Spectroscopy ◽  
Yellow Poplar ◽  
First Derivative ◽  
Calibration Models

This study investigated the feasibility of using near infrared (NIR) spectroscopy and multivariate calibration to predict bulk density and stiffness of 3.2 mm thick yellow poplar veneer strips. Full-range (800–2500 nm) raw NIR spectra and spectra pre-treated using the first derivative method, along with spectra from three other different wavelength windows of 1200–2400 nm, 1800–2400 nm and 1400–2000 nm were regressed against the bulk density (kg m−3) values and the dynamic modulus of elasticity (stiffness; GPa) of the veneers using the projection to latent structures (PLS) method to develop calibration models. All predictive models developed performed well in the prediction of bulk density and stiffness of new test samples that were not included in the calibration models. R2 values ranged from 0.67-0.78 and 0.56-0.72, respectively, for bulk density and stiffness. There was significant improvement in models developed with first derivative spectra over models developed with raw spectra. The models developed using the first derivative used fewer latent variables to achieve predictive models with higher R2 values, lower root mean square errors of prediction (RMSEP) and standard errors of prediction (SEP). Models developed using the full NIR spectral range (800–2500 nm) and the NIR spectral region of 1200–2400 nm performed better than models developed using the restricted NIR wavelength regions of 1800–2400 nm and 1400–2000 nm. However, there was no clear distinction between models developed using the full NIR spectral range and the NIR spectral region of 1200–2400 nm. Overall, models developed with the first derivative pre-processed spectra using the whole NIR spectrum performed best in predictability. The results of this study show the potential of using multivariate data analysis coupled with NIR spectroscopy for on-line sorting and assessment of veneer stiffness prior to the lay-up process in the manufacturing of veneer-based engineered wood products such as plywood, Parallam and laminated veneer lumber.

scholarly journals Evaluation of Carbohydrate Concentrations in Phalaenopsis Using Near-infrared Spectroscopy

2018 ◽  
Vol 143 (6) ◽  
pp. 494-502
Author(s):  
Yung-Kun Chuang ◽  
I-Chang Yang ◽  
Chao-Yin Tsai ◽  
Jiunn-Yan Hou ◽  
Yung-Huei Chang ◽  
...  
Keyword(s):  
Standard Error ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Dry Weight ◽  
Internal Quality ◽  
Least Squares Regression ◽  
First Derivative ◽  
Derivative Spectra ◽  
Calibration Models ◽  
Quantitative Analyses

Carbohydrate concentrations are important indicators of the internal quality of Phalaenopsis. In this study, near-infrared (NIR) spectroscopy was used for quantitative analyses of fructose, glucose, sucrose, and starch in Phalaenopsis plants. Both modified partial least-squares regression (MPLSR) and stepwise multiple linear regression (SMLR) methods were used for spectral analysis of 302 Phalaenopsis samples in the full visible NIR wavelength range (400–2498 nm). Calibration models built by MPLSR were better than those built by SMLR. For fructose, the smoothed first derivative MPLSR model provided the best results, with a correlation coefficient of calibration (Rc) of 0.96, standard error of calibration (SEC) of 0.22% dry weight (DW), standard error of validation (SEV) of 0.28% DW, and bias of -0.01% DW. For glucose, the MPLSR model based on the smoothed first derivative spectra was the best (Rc = 0.96; SEC = 0.26% DW; SEV = 0.32% DW; and bias = 0.01% DW). The best MPLSR model of sucrose was developed using the smoothed first derivative spectra (Rc = 0.96; SEC = 0.24% DW; SEV = 0.31% DW; bias = -0.03% DW). Regarding starch, the smoothed first derivative MPLSR model showed the best effects (Rc = 0.91; SEC = 0.47% DW; SEV = 0.56% DW; bias = -0.02% DW). Both the MPLSR and SMLR models showed satisfactory predictability, indicating that NIR has the potential to be adopted as an effective method of rapid and accurate inspection of the carbohydrate concentrations of Phalaenopsis plants. This technique could contribute substantially to quality management of Phalaenopsis.

scholarly journals Influence of environmental factors on the detection of blood in sheep faeces using visible–near-infrared spectroscopy as a measure of Haemonchus contortus infection

2020 ◽  
Vol 13 (1) ◽  
Author(s):  
Elise A. Kho ◽  
Jill N. Fernandes ◽  
Andrew C. Kotze ◽  
Glen P. Fox ◽  
Maggy T. Sikulu-Lord ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Haemonchus Contortus ◽  
Prediction Accuracy ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Component Analysis ◽  
Diagnostic Methods ◽  
Calibration Models ◽  
Good Prediction Accuracy

Abstract Background Existing diagnostic methods for the parasitic gastrointestinal nematode, Haemonchus contortus, are time consuming and require specialised expertise, limiting their utility in the field. A practical, on-farm diagnostic tool could facilitate timely treatment decisions, thereby preventing losses in production and flock welfare. We previously demonstrated the ability of visible–near-infrared (Vis–NIR) spectroscopy to detect and quantify blood in sheep faeces with high accuracy. Here we report our investigation of whether variation in sheep type and environment affect the prediction accuracy of Vis–NIR spectroscopy in quantifying blood in faeces. Methods Visible–NIR spectra were obtained from worm-free sheep faeces collected from different environments and sheep types in South Australia (SA) and New South Wales, Australia and spiked with various sheep blood concentrations. Spectra were analysed using principal component analysis (PCA), and calibration models were built around the haemoglobin (Hb) wavelength region (387–609 nm) using partial least squares regression. Models were used to predict Hb concentrations in spiked faeces from SA and naturally infected sheep faeces from Queensland (QLD). Samples from QLD were quantified using Hemastix® test strip and FAMACHA© diagnostic test scores. Results Principal component analysis showed that location, class of sheep and pooled versus individual samples were factors affecting the Hb predictions. The models successfully differentiated ‘healthy’ SA samples from those requiring anthelmintic treatment with moderate to good prediction accuracy (sensitivity 57–94%, specificity 44–79%). The models were not predictive for blood in the naturally infected QLD samples, which may be due in part to variability of faecal background and blood chemistry between samples, or the difference in validation methods used for blood quantification. PCA of the QLD samples, however, identified a difference between samples containing high and low quantities of blood. Conclusion This study demonstrates the potential of Vis–NIR spectroscopy for estimating blood concentration in faeces from various types of sheep and environmental backgrounds. However, the calibration models developed here did not capture sufficient environmental variation to accurately predict Hb in faeces collected from environments different to those used in the calibration model. Consequently, it will be necessary to establish models that incorporate samples that are more representative of areas where H. contortus is endemic.

scholarly journals Cancer Discrimination Using Fourier Transform Near-Infrared Spectroscopy with Chemometric Models

2015 ◽  
Vol 2015 ◽  
pp. 1-8 ◽  
Author(s):  
Hui Chen ◽  
Zan Lin ◽  
Chao Tan
Keyword(s):  
Cancer Diagnosis ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Classification Model ◽  
Support Vector ◽  
Biomedical Analysis ◽  
First Derivative ◽  
Svm Model ◽  
High Prediction

Near-infrared (NIR) spectroscopy technique offers many potential advantages as tool for biomedical analysis since it enables the subtle biochemical signatures related to pathology to be detected and extracted. In conjunction with advanced chemometrics, NIR spectroscopy opens the possibility of their use in cancer diagnosis. The study focuses on the application of near-infrared (NIR) spectroscopy and classification models for discriminating colorectal cancer. A total of 107 surgical specimens and a corresponding NIR diffuse reflection spectral dataset were prepared. Three preprocessing methods were attempted and least-squares support vector machine (LS-SVM) was used to build a classification model. The hybrid preprocessing of first derivative and principal component analysis (PCA) resulted in the best LS-SVM model with the sensitivity and specificity of 0.96 and 0.96 for the training and 0.94 and 0.96 for test sets, respectively. The similarity performance on both subsets indicated that overfitting did not occur, assuring the robustness and reliability of the developed LS-SVM model. The area of receiver operating characteristic (ROC) curve was 0.99, demonstrating once again the high prediction power of the model. The result confirms the applicability of the combination of NIR spectroscopy, LS-SVM, PCA, and first derivative preprocessing for cancer diagnosis.

Linear transformations of multivariate calibration models in near infrared spectroscopy: A comparative study

2017 ◽  
Vol 25 (4) ◽  
pp. 223-230 ◽  
Author(s):  
Joseph Dubrovkin
Keyword(s):  
Infrared Spectroscopy ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
Cetane Number ◽  
Total Protein Content ◽  
Prediction Errors ◽  
Calibration Data ◽  
Linear Transformations ◽  
Calibration Models

It was shown that linear transformations are suitable for use in multivariate calibration in near infrared spectroscopy as data compression tools. Partial Least Squares calibration models were built using spectral data transformed by expansion in the series of classical orthogonal polynomials, Fourier and wavelet harmonics. These models allowed effective prediction of the cetane number of diesel fuels, Brix and pol parameters of syrup in sugar production and fat and total protein content in milk. Depending on the compression ratio, prediction errors were no larger than 30% of corresponding errors obtained by the use of the non-transformed models. Although selection of the most suitable transformation depends on the calibration data and on the cross-validation method, in many cases Fourier transform gave satisfactory results.

scholarly journals Rapid Determination of Nutritional Parameters of Pasta/Sauce Blends by Handheld Near-Infrared Spectroscopy

Molecules ◽  
2019 ◽  
Vol 24 (11) ◽  
pp. 2029 ◽  
Author(s):  
Marina D. G. Neves ◽  
Ronei J. Poppi ◽  
Heinz W. Siesler
Keyword(s):  
Near Infrared ◽  
Rapid Determination ◽  
Analytical Data ◽  
Nir Spectroscopy ◽  
Nutritional Parameters ◽  
Direct To Consumer ◽  
Calibration Models ◽  
Food And Beverage ◽  
The Individual ◽  
Near Future

Nowadays, near infrared (NIR) spectroscopy has experienced a rapid progress in miniaturization (instruments < 100 g are presently available), and the price for handheld systems has reached the < $500 level for high lot sizes. Thus, the stage is set for NIR spectroscopy to become the technique of choice for food and beverage testing, not only in industry but also as a consumer application. However, contrary to the (in our opinion) exaggerated claims of some direct-to-consumer companies regarding the performance of their “food scanners” with “cloud evaluation of big data”, the present publication will demonstrate realistic analytical data derived from the development of partial least squares (PLS) calibration models for six different nutritional parameters (energy, protein, fat, carbohydrates, sugar, and fiber) based on the NIR spectra of a broad range of different pasta/sauce blends recorded with a handheld instrument. The prediction performance of the PLS calibration models for the individual parameters was double-checked by cross-validation (CV) and test-set validation. The results obtained suggest that in the near future consumers will be able to predict the nutritional parameters of their meals by using handheld NIR spectroscopy under every-day life conditions.

scholarly journals Near-Infrared Spectroscopy Combined with Multivariate Calibration to Predict the Yield of Sesame Oil Produced by Traditional Aqueous Extraction Process

2017 ◽  
Vol 2017 ◽  
pp. 1-5
Author(s):  
Yong-Dong Xu ◽  
Yan-Ping Zhou ◽  
Jing Chen
Keyword(s):  
Near Infrared ◽  
Multivariate Calibration ◽  
Nir Spectroscopy ◽  
Extraction Process ◽  
Sesame Oil ◽  
Aqueous Extraction ◽  
Oil Yield ◽  
Support Vector ◽  
Calibration Model ◽  
Aqueous Extraction Process

Sesame oil produced by the traditional aqueous extraction process (TAEP) has been recognized by its pleasant flavor and high nutrition value. This paper developed a rapid and nondestructive method to predict the sesame oil yield by TAEP using near-infrared (NIR) spectroscopy. A collection of 145 sesame seed samples was measured by NIR spectroscopy and the relationship between the TAEP oil yield and the spectra was modeled by least-squares support vector machine (LS-SVM). Smoothing, taking second derivatives (D2), and standard normal variate (SNV) transformation were performed to remove the unwanted variations in the raw spectra. The results indicated that D2-LS-SVM (4000–9000 cm−1) obtained the most accurate calibration model with root mean square error of prediction (RMSEP) of 1.15 (%, w/w). Moreover, the RMSEP was not significantly influenced by different initial values of LS-SVM parameters. The calibration model could be helpful to search for sesame seeds with higher TAEP oil yields.

New Hybrid Algorithm for Transferring Multivariate Quantitative Calibrations of Intra-Vendor Near-Infrared Spectrometers

2002 ◽  
Vol 56 (7) ◽  
pp. 877-886 ◽  
Author(s):  
Christine M. Wehlburg ◽  
David M. Haaland ◽  
David K. Melgaard
Keyword(s):  
Least Squares ◽  
Hybrid Algorithm ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
Correct Prediction ◽  
Calibration Transfer ◽  
Calibration Models ◽  
Secondary Instrument ◽  
Instrument Response ◽  
Instrumental Drift

A new prediction-augmented classical least-squares/partial least-squares (PACLS/PLS) hybrid algorithm is ideally suited for use in transferring multivariate calibrations between spectrometers. Spectral variations such as instrument response differences can be explicitly incorporated into the algorithm through the use of subset sample spectra collected on both spectrometers. Two current calibration transfer methods, subset recalibration and piecewise direct standardization (PDS), also utilize subset sample spectra to facilitate transfer of calibration. The three methods were applied to the transfer of quantitative multivariate calibration models for near-infrared (NIR) data of organic samples containing chlorobenzene, heptane, and toluene between a primary and three secondary spectrometers that were all the same model, called intra-vendor transfer of calibration. The hybrid PACLS/PLS method outperformed subset recalibration and provided predictions equivalent to PDS with additive background correction on the two secondary spectrometers whose instrument drift appeared to be dominated by simple linear baseline variations. One of the secondary spectrometers had complex instrument drift that was captured by repeatedly measuring the spectrum of a single repeat sample. In calculating a transfer function to correct prediction spectra, PDS assumes no instrumental drift on the secondary spectrometer. Therefore, PDS was unable to directly accommodate both the subset samples and the use of a single repeat sample to transfer and maintain a calibration on that secondary instrument. In order to implement the transfer of calibration with PDS in the presence of complex instrument drift, recalibrated PLS models that included the repeat spectra from the secondary spectrometer were used to predict the spectra transformed by PDS. The importance of correcting for drift on the secondary spectrometer during calibration transfer was illustrated by the improvements in prediction for all three methods vs. using only the instrument response differences derived from the subset sample spectra. When the effects of instrument drift were complex on the secondary spectrometer, the PACLS/PLS hybrid algorithm outperformed both PDS and subset recalibration. Through the explicit incorporation of spectral variations, due to instrument response differences and drift on the secondary spectrometer, the PACLS/PLS algorithm was successful at intra-vendor transfer of calibrations between NIR spectrometers.

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