Comparison of Three near Infrared Spectrophotometers for Infestation Detection in Wild Blueberries Using Multivariate Calibration Models

2009 ◽  
Vol 17 (4) ◽  
pp. 203-212 ◽  
Author(s):  
Boyan N. Peshlov ◽  
Floyd E. Dowell ◽  
Francis A. Drummond ◽  
Darrell W. Donahue
Keyword(s):  
Wavelength Range ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
System Development ◽  
Nir Spectroscopy ◽  
Insect Infestation ◽  
Signal To Noise ◽  
Wild Blueberries ◽  
Technical Specifications ◽  
Imaging Spectrograph

A near infrared (NIR) spectroscopy system for rapid, automated and non-destructive detection of insect infestation in blueberries is desirable to ensure high quality fruit for the fresh and processed markets. The selection of suitable instruments is the first step in system development. Three diode array spectrophotometers were evaluated based on technical specifications and capacity for larva detection in wild blueberries ( Vaccinium angustifolium) using discriminant partial least squares (PLS) regression models. These instruments, differing mainly in wavelength range and detector type, comprised two spectrophotometers with scanning wavelength ranges of 650–1100 nm and 600–1700 nm and an imaging spectrograph with the scanning range of 950–1400 nm. The assessed factors affecting predictions included signal-to-noise ratio, wavelength range, resolution, measurement configuration, spectral pre-processing and absorbance bands related to infestation. The scanning spectrophotometers demonstrated higher signal-to-noise ratios with infestation prediction accuracies of 82% and 76.9% compared to the imaging spectrograph with 58.9% accuracy. Resolution, spectral pre-processing and measurement configuration had a lesser effect on model accuracy than wavelength range. The 950–1690 nm bands were identified as important for infestation prediction. In general, NIR spectroscopy should be a feasible technique for rapid classification of insect infestation in fruit.

scholarly journals Prototype of the Near-Infrared Spectroscopy Expert System for Particleboard Identification

2018 ◽  
Vol 2018 ◽  
pp. 1-11
Author(s):  
Anna Sandak ◽  
Jakub Sandak ◽  
Dominika Janiszewska ◽  
Salim Hiziroglu ◽  
Marta Petrillo ◽  
...  
Keyword(s):  
Quality Control ◽  
Expert System ◽  
Near Infrared ◽  
System Development ◽  
Nir Spectroscopy ◽  
Original System ◽  
Adhesive System ◽  
Type Composition ◽  
Wide Range ◽  
Panel Type

The overall goal of this work was to develop a prototype expert system assisting quality control and traceability of particleboard panels on the production floor. Four different types of particleboards manufactured at the laboratory scale and in industrial plants were evaluated. The material differed in terms of panel type, composition, and adhesive system. NIR spectroscopy was employed as a pioneer tool for the development of a two-level expert system suitable for classification and traceability of investigated samples. A portable, commercially available NIR spectrometer was used for nondestructive measurements of particleboard panels. Twenty-five batches of particleboards, each containing at least three independent replicas, was used for the original system development and assessment of its performance. Four alternative chemometric methods (PLS-DA, kNN, SIMCA, and SVM) were used for spectroscopic data classification. The models were developed for panel recognition at two levels differing in terms of their generality. In the first stage, four among twenty-four tested combinations resulted in 100% correct classification. Discrimination precision with PLS-DA and SVMC was high (>99%), even without any spectra preprocessing. SNV preprocessed spectra and SVMC algorithm were used at the second stage for panel batch classification. Panels manufactured by two producers were 100% correctly classified, industrial panels produced by different manufacturing plants were classified with 98.9% success, and the experimental panels manufactured in the laboratory were classified with 63.7% success. Implementation of NIR spectroscopy for wood-based product traceability and quality control may have a great impact due to the high versatility of the production and wide range of particleboards utilization.

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.

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.

Investigation of Noninvasive in vivo Blood Hematocrit Measurement Using NIR Reflectance Spectroscopy and Partial Least-Squares Regression

2000 ◽  
Vol 54 (2) ◽  
pp. 294-299 ◽  
Author(s):  
Songbiao Zhang ◽  
Babs R. Soller ◽  
Shubjeet Kaur ◽  
Kristen Perras ◽  
Thomas J. Vander Salm
Keyword(s):  
Least Squares ◽  
Partial Least Squares ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
Nir Spectroscopy ◽  
Study Groups ◽  
Patient Specific ◽  
Least Squares Regression ◽  
Fiber Optic Probe

Hematocrit (Hct), the volume percent of red cells in blood, is monitored routinely for blood donors, surgical patients, and trauma victims and requires blood to be removed from the patient. An accurate, noninvasive method for directly measuring hematocrit on patients is desired for these applications. The feasibility of noninvasive hematocrit measurement by using near-infrared (NIR) spectroscopy and partial least-squares (PLS) techniques was investigated, and methods of in vivo calibration were examined. Twenty Caucasian patients undergoing cardiac surgery on cardiopulmonary bypass were randomly selected to form two study groups. A fiber-optic probe was attached to the patient's forearm, and NIR spectra were continuously collected during surgery. Blood samples were simultaneously collected and reference Hct measurements were made with the spun capillary method. PLS multivariate calibration techniques were applied to investigate the relationship between spectral and Hct changes. Single patient calibration models were developed with good cross-validated estimation of accuracy (∼ 1 Hct%) and trending capability for most patients. Time-dependent system drift, patient temperature, and venous oxygen saturation were not correlated with the hematocrit measurements. Multi-subject models were developed for prediction of independent subjects. These models demonstrated a significant patient-specific offset that was shown to be partially related to spectrometer drift. The remaining offset is attributed to the large spectral variability of patient tissue, and a significantly larger set of patients would be required to adequately model this variability. After the removal of the offset, the cross-validated estimation of accuracy is 2 Hct%.

Effect of Random Noise on the Performance of NIR Calibrations

1998 ◽  
Vol 6 (1) ◽  
pp. 77-87 ◽  
Author(s):  
Jing Lu ◽  
W.F. McClure ◽  
F.E. Barton ◽  
D.S. Himmelsbach
Keyword(s):  
Least Squares ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
Simple Procedure ◽  
Random Noise ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Optical Data ◽  
Spectra Analysis ◽  
Calibration Methods

The proliferation of applications for near infrared (NIR) spectroscopy has been fostered by advances in instrumentation and statistics. NIR analytical instrumentation is becoming more stable and reliable. Chemometrics is playing an important role in qualitative and quantitative NIR spectra analysis. The objective of this study was to evaluate the performances of four commonly used calibration models: (1) stepwise multiple linear regression (SMLR); (2) classical least-squares (CLS); (3) principal component regression (PCR); and (4) partial least-squares (PLS) in NIR spectroscopy analysis when random noise is present in the optical data. A conceptually simple procedure for comparing the performance of the four calibration methods in the presence of different levels of random noise in spectra data has been introduced here. This procedure, using the computer simulation data and real spectra of tobacco, has provided useful information for understanding the effects of random noise on the performance of multivariate calibration methods. Both numerical and graphical results will be shown.

scholarly journals Near-Infrared Spectroscopy as a Process Analytical Technology Tool for Monitoring the Steaming Process of Gastrodiae rhizoma with Multiparameters and Chemometrics

2020 ◽  
Vol 2020 ◽  
pp. 1-12
Author(s):  
Yamin Zuo ◽  
Jing Yang ◽  
Chen Li ◽  
Xuehua Deng ◽  
Shengsheng Zhang ◽  
...  
Keyword(s):  
Near Infrared ◽  
Multivariate Calibration ◽  
Process Analytical Technology ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Great Promise ◽  
Gastrodiae Rhizoma ◽  
Mean Square Errors ◽  
Analytical Technology ◽  
Hydroxybenzyl Alcohol

Steaming is a vital unit operation in traditional Chinese medicine (TCM), which greatly affects the active ingredients and the pharmacological efficacy of the products. Near-infrared (NIR) spectroscopy has already been widely used as a strong process analytical technology (PAT) tool. In this study, the potential usage of NIR spectroscopy to monitor the steaming process of Gastrodiae rhizoma was explored. About 10 lab scale batches were employed to construct quantitative models to determine four chemical ingredients and moisture change during the steaming process. Gastrodin, p-hydroxybenzyl alcohol, parishin B, and parishin A were modeled by different multivariate calibration models (SMLR and PLS), while the content of the moisture was modeled by principal component regression (PCR). In the optimized models, the root mean square errors of prediction (RMSEP) for gastrodin, p-hydroxybenzyl alcohol, parishin B, parishin A, and moisture were 0.0181, 0.0143, 0.0132, 0.0244, and 2.15, respectively, and correlation coefficients ( R p 2 ) were 0.9591, 0.9307, 0.9309, 0.9277, and 0.9201, respectively. Three other batches’ results revealed that the accuracy of the model was acceptable and that was specific for next drying step. In addition, the results demonstrated the method was reliable in process performance and robustness. This method holds a great promise to replace current subjective color judgment and time-consuming HPLC or UV/Vis methods and is suitable for rapid online monitoring and quality control in the TCM industrial steaming process.

scholarly journals Determination of the Lignocellulosic Components of Olive Tree Pruning Biomass by Near Infrared Spectroscopy

Energies ◽  
2019 ◽  
Vol 12 (13) ◽  
pp. 2497 ◽  
Author(s):  
José Luis Fernández ◽  
Felicia Sáez ◽  
Eulogio Castro ◽  
Paloma Manzanares ◽  
Mercedes Ballesteros ◽  
...  
Keyword(s):  
Near Infrared ◽  
Multivariate Calibration ◽  
Chemical Characterization ◽  
Nir Spectroscopy ◽  
Olive Tree ◽  
Calibration Method ◽  
Calibration Model ◽  
Alternative Method ◽  
Tree Pruning

The determination of chemical composition of lignocellulose biomass by wet chemistry analysis is labor-intensive, expensive, and time consuming. Near infrared (NIR) spectroscopy coupled with multivariate calibration offers a rapid and no-destructive alternative method. The objective of this work is to develop a NIR calibration model for olive tree lignocellulosic biomass as a rapid tool and alternative method for chemical characterization of olive tree pruning over current wet methods. In this study, 79 milled olive tree pruning samples were analyzed for extractives, lignin, cellulose, hemicellulose, and ash content. These samples were scanned by reflectance diffuse near infrared techniques and a predictive model based on partial least squares (PLS) multivariate calibration method was developed. Five parameters were calibrated: Lignin, cellulose, hemicellulose, ash, and extractives. NIR models obtained were able to predict main components composition with R2cv values over 0.5, except for lignin which showed lowest prediction accuracy.

A Brief Review of near Infrared in Petroleum Product Analysis

1996 ◽  
Vol 4 (1) ◽  
pp. 69-74 ◽  
Author(s):  
Jerome Workman
Keyword(s):  
Functional Groups ◽  
Petroleum Product ◽  
Octane Number ◽  
Near Infrared ◽  
Scientific Literature ◽  
Multivariate Calibration ◽  
Nir Spectroscopy ◽  
Hydrocarbon Fuel ◽  
Chemical Information ◽  
Product Analysis

The use of infrared spectroscopy [including near infrared (NIR) spectroscopy] for the analysis of petroleum product analysis has become an essential component of hydrocarbon processing and refining since the mid-1940s. Early scientific literature identified absorption band positions for a variety of hydrocarbon functional groups from pure compounds to complex mixtures. The short wavelength NIR region (generally designated as 750–1100 nm), and the long-wavelength NIR region (1100–2500 nm) have been explored for their relative chemical information content with respect to hydrocarbon fuel mixtures. The functional groups of methyl, methylene, carbon–carbon, carbon–oxygen (including carbonyl), and aromatic (C–H) are measured directly using NIR spectroscopy. NIR spectroscopy combined with multivariate calibration has resulted in the reported analysis of numerous fuel components. The scientific literature has reported varied success for the measurement of RON (research octane number), MON (motor octane number), PON (pump octane number), cetane, cloud point, MTBE ( tert-Butyl methyl ether), RVP (Reid vapour pressure), ethanol, API, bromine number, lead, sulphur, aromatics, olefins and saturates content in such products as gasoline, diesel fuels, and jet fuels. This review paper summarises the foundational work using near-infrared for hydrocarbon fuels measurement beginning in 1938.

Outlier Detection in the Ethylene Content Determination in Propylene Copolymer by Near-Infrared Spectroscopy and Multivariate Calibration

2001 ◽  
Vol 55 (11) ◽  
pp. 1532-1536 ◽  
Author(s):  
S. Macho ◽  
F. Sales ◽  
M. P. Callao ◽  
M. S. Larrechi ◽  
F. X. Rius
Keyword(s):  
Near Infrared ◽  
Multivariate Calibration ◽  
Nir Spectroscopy ◽  
Matrix Composition ◽  
Control Techniques ◽  
Content Determination ◽  
Ethylene Content ◽  
The Matrix ◽  
Multivariate Control

In this study, we employed multivariate control techniques to detect outliers in the determination of ethylene in impact polypropylene samples by near-infrared (NIR) spectroscopy and multivariate calibration partial least-squares (PLS). We also applied an algorithm which identifies those spectral variables responsible for the outlier behavior and that can indicate the source of this behavior. The outliers in the prediction step may be due to three possible situations: errors associated with the prediction of analyte concentrations in samples that have the same characteristics as the calibration set, but that are beyond the concentration range; changes in the matrix composition; and instrumental errors. We show that the proposed techniques make it possible to detect whether or not an analyte belongs to the reference set. In addition, we apply an algorithm that identifies the variables that cause outlier behavior and assigns them to a class.

scholarly journals Investigation of NIR spectroscopy for identifying and sorting wood with respect to species, moisture content, and weathering

2021 ◽  
Author(s):  
Ekaterina Tounis
Keyword(s):  
Infrared Spectroscopy ◽  
Moisture Content ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
Surface Preparation ◽  
Nir Spectroscopy ◽  
Species Group ◽  
Chemical Information ◽  
Calibration Techniques

Near-infrared spectroscopy can characterize wood surfaces fast and without significant surface preparation. It is based on molecular overtone and combination vibrations which are typically very broad, leading to complex spectra. Multivariate calibration techniques are often employed to extract the desired chemical information. This study focused on the potential of near-infrared spectroscopy combined with partial least squares for identifying and sorting wood with respect to species and physical properties and on the effects of wood preparation and weathering on the precision of analysis. It was shown that a range of moisture content values and artificial weathering periods could be well predicted indepenedently of wood species analyzed. Species within the spruce-pine-fir species group could be predicted reasonably well when tested under similar conditions. When different moisture contents and weathering exposure periods were introduced, species prediction was still possible, but, with decreased prediciton ability.

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