• Near Infrared Analysis
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• v.1 no.1
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• pp.1-7
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• 2000

A convenient algorithm for optimizing wavelength selection in multiple linear regression (MLR) has been developed. MOP (MLP Optimization Program) has been developed to test all possible MLR calibration models in a given spectral range and finally find an optimal MLR model with external validation capability. MOP generates all calibration models from all possible combinations of wavelength, and simultaneously calculates SEC (Standard Error of Calibration) and SEV (Standard Error of Validation) by predicting samples in a validation data set. Finally, with determined SEC and SEV, it calculates another parameter called SAD (Sum of SEC, SEV, and Absolute Difference between SEC and SEV: sum(SEC+SEV+Abs(SEC-SEV)). SAD is an useful parameter to find an optimal calibration model without over-fitting by simultaneously evaluating SEC, SEV, and difference of error between calibration and validation. The calibration model corresponding to the smallest SAD value is chosen as an optimum because the errors in both calibration and validation are minimal as well as similar in scale. To evaluate the capability of MOP, the determination of benzene content in unleaded gasoline has been examined. MOP successfully found the optimal calibration model and showed the better calibration and independent prediction performance compared to conventional MLR calibration.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1616-1616
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• 2001

To select kernels for breeding that have required constituent content from either naturally distributed samples or artificially mutated ones, it is necessary to process batch samples in a short time. The constituent content of single-kernel grains such as wheat and rice has been determined using conventional bench type NIR instruments; however, it takes a lot of time and effort. Shizuoka Seiki (Fukuroi-city, Japan) and NFRI (National Food Research Institute) of MAFF (Ministry of Agriculture, forestry and Fisheries of Japan) have jointly developed a continuous high-speed single-kernel brown rice sorting machine based on rice protein content. It consists of several sections such as a feeding mechanism, measuring unit, sorting mechanism and controlling PC. The feeding mechanism picks up single-kernel brown rice from the hopper (maximum of 5kg storage capacity) and sends it to the measuring unit. A spectrum of the brown rice is obtained in the measuring unit, which consists of a near-infrared array sensor. The brown rice is then sorted in the sorting mechanism based on its protein content estimated by the controlling PC. In the present study, measuring speed was approximately 500ms for the full spectrum range and overall sorting speed was approximately 2.8s for one kernel. Accuracy of estimation was approximately SEP=0.5% of dry matter protein content for nonglutinous rice.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1515-1515
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• 2001

Retrogradation of starch is one of important quality indexes for food based on starch such as rice. Therefore, in this research, possibility of near infrared spectroscopy to determine the degree of the retrogradation was examined. The degree of the retrogradation was indicated as the degree of geratinization analyzed by BAP(-amylase-pullulanase) method. 20 samples which have a wide range of the degree of the retrogradation were prepared and the NIR spectra of the samples were measured in reflectance mode with the NIR Systems 6500. In the correlation plots calculated from the 2nd derivative values of the MSC treated spectra and the degree of the geratinization, the major negative peaks of 1544 nm and 2258 nm, and the major positive peaks of 1460 nm, 1602 nm, 1766 nm and 2136 nm could be observed, indicating that NIR absorption at the positive peak wavelengths became strong while the absorption at the negative peak wavelengths became weak as the degree of the retrogradation increased. Because there is negative correlation between the degree of the retrogradation and the degree of the geratinization. As a result of MLR using the 2nd derivative values of the MSC treated spectra and the degree of the geratinization, good calibration equation which include 2258 nm as the first wavelength and 1764 nm as the second one could be obtained, indicating that NIR spectroscopy has a possibility to detect the retrogradation of starch. In order to find the assignment of the bands observed in the correlation plots, further study may be needed.

• Asian-Australasian Journal of Animal Sciences
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• v.14 no.6
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• pp.858-861
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• 2001

Near Infrared spectroscopy was applied to the samples of processed pork to see the effect of grinding on chemical components analyses. Data from conventional chemical analyses of moisture, fat, protein, NaCl were put into calibration model by NIR of reflectance mode. The other properties observed were pH and color parameters ($L^*,\;a^*,\;b^*$). Spectral ranges of 400~2500 nm and 400~1100 nm were compared for color parameters. Spectral ranges of 400~2500 nm and 1100~2500 nm were compared for chemical components and pH. Different spectral ranges caused little changes in the coefficients of determination or standard errors. $R^{2,}s$ of calibration models for color parameters were in the range of 0.97 to 1.00. $R^{2,}s$ of calibration models of intact sausages for moisture, protein, fat, NaCl and pH were 0.98, 0.89, 0.95, 0.73 and 0.77, respectively using spectra at 1100~2500 nm. $R^{2,}s$ of calibration models of ground sausages for moisture, protein, fat, NaCl and pH were 0.97, 0.91, 0.97, 0.42 and 0.56, respectively using spectra at 1100~2500 nm.

• Bulletin of the Korean Chemical Society
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• v.34 no.3
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• pp.731-734
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• 2013

Reduced tungsten bronze nanoparticles of ternary and quaternary compounds were prepared by adding sodium and cesium to crystal structures of tungsten trioxides ($Na_xCs_{0.33-x}WO_3$, x = 0, 0.11) while maintaining the overall alkali metal fraction at 0.33, in an attempt to control near infrared (NIR) shielding property in the particular wavelength range of 780 to 1200 nm. The structure and composition analysis of the quaternary compound, $Na_{0.11}Cs_{0.22}WO_3$, revealed that 93.1% of the hexagonal phase was formed, suggesting that both alkali metals were mainly inserted in hexagonal channel. The NIR shielding property for $Na_{0.11}Cs_{0.22}WO_3$ was remarkable, as this material demonstrated efficient transmittance of visible light up to 780 nm and enhancement in NIR shielding because of the blue-shifted absorption maximum in comparison to $Cs_{0.33}WO_3$.

• Bulletin of the Korean Chemical Society
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• v.26 no.1
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• pp.115-118
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• 2005

The miniaturized NIR (Near-infrared) spectrometer has been utilized for the determination of water content (1-19% range) in ethanol that is the most popular organic solvent in pharmaceutical industries. It has many potential capabilities that can replace the conventional analyzers especially for the on-line measurement since it is compact, versatile and cost-effective. By using two dimensional (2D) correlation spectroscopy, it was preliminarily investigated to find any unforeseen spectral distortion among the spectra collected from the miniaturized spectrometer. The 2D study revealed that the spectral variation clearly followed the variation of water concentration without any spectral distortion or abnormality. PLS (Partial Least Squares) was employed to build the calibration model and the resulting prediction performance was acceptable and stable over several days. Even though the miniaturized NIR system was evaluated to fairly simple chemical matrix, the overall study demonstrates the sufficient feasibility for diverse practical and industrial applications.

• Journal of Biosystems Engineering
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• v.40 no.1
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• pp.47-60
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• 2015

Purpose: The purpose of this study was to non-destructively and quickly predict the capsaicinoid content of domestic red pepper powders from various areas of Korea using a pungency measurement system in combination with visible and near-infrared (VNIR) spectroscopic techniques. Methods: The reflectance spectra of 149 red pepper powder samples from 14 areas of Korea were obtained in the wavelength range of 450-950 nm and partial least squares regression (PLSR) models for the prediction of capsaicinoid content were developed using area models. Results: The determination coefficient of validation (RV2), standard error of prediction (SEP), and residual prediction deviation (RPD) for the capsaicinoid content prediction model for the Namyoungyang area were 0.985, ${\pm}2.17mg/100g$, and 7.94, respectively. Conclusions: These results show the possibility of VNIR spectroscopy combined with PLSR models in the non-destructive and facile prediction of capsaicinoid content of red pepper powders from Korea.

• Journal of Biosystems Engineering
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• v.22 no.2
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• pp.256-265
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• 1997

The objectives of this study were to examine the ability to predict soluble solid and firmness in intact apples based on the visible/near-infrared spectroscopic technique. Two cultivars of apples, Delicious and Gala, were handled, tested and analyzed separately. Reflectance spectra, Magness-Tayor (MT) firmness, and soluble solids in apples were measured sequentially. Maximum and minimum diameters, height, and weight of apples were recorded before the MT firmness tests. A spectrophotometer was used to collect reflectance spectra of intact apples over a wavelength range of 400 to 2, 498 nm. The W firmness tests were conducted using a standard 11.1mm (7/16 in.) MT probe mounted in an Instron universal testing machine. A digital refractormeter was used to measure soluble solid contents in the apples. Apple samples were divided into a calibration set and a prediction set. The calibration set was used during model development, and the prediction set was used to predict soluble solids and firmness from unknown spectra. The method of partial least square (PLS) analysis was used. An unique set of PLS loading vectors (factors) was developed for soluble solid content and firmness. The PLS model showed good correlations between predicted and measured soluble solids of intact apples in 860～1078 nm of the wavelengths. However, the PLS analysis was not good enough to predict the apple firmness.

• YAKHAK HOEJI
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• v.46 no.5
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• pp.324-330
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• 2002

This experiment was carried out to determine non-destructively the hydrogen peroxide concentration of 3％ antiseptic hydrogen peroxide solutions by portable near-infrared (NIR) system. Hydrogen peroxide standards were prepared ranging from 0 to 25.6 w/w％ and the NIR spectra of hydrogen peroxide standard solutions were collected by using a quartz cell in 1 mm pathlength. We found the variation of absorbance band due to OH vibration of hydrogen peroxide depending on the concentration around 1400 nm in the second derivatives spectra. Partial least square regression (PLSR) and multilinear regression (MLR) were explored to develop a calibration model over the spectral range 1100-1720 nm. The model using PLSR was better than that using MLR. The calibration showed good results with a standard error of prediction (SEP) of 0.16％. In order to validate the developed calibration model, routine analyses were performed using commercial antiseptic hydrogen peroxide solutions. The hydrogen peroxide values from the NIR calibration model were compared with the values from a redox titration method. The NIR routine analyses results showed good correlation with those of the redox titration method. This study showed that the rapid and non-destructive determination of hydrogen peroxide in the antiseptic solution was successfully performed by portable NIR system without very harmful solvents.

• YAKHAK HOEJI
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• v.49 no.1
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• pp.1-5
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• 2005

Near-infrared (NIR) spectroscopy has been widely applied in various field, since it is nondestructive and no sample preparation is required. In this paper, NIR spectroscopy was used for the determination of naproxen in a commercial pharmaceutical preparation. NIR spectroscopy was used to determine the content of naproxen in intact naproxen tablets containing 250 mg ($65.8\%$ nominal concentration) by collecting NIR spectra in the range of $1100{\sim}1750nm$. The laboratory-made samples had $46.1{\sim}85.5\%$ nominal naproxen concentration. The measurements were made by reflection using a fiber-optic probe and calibration was carried out by partial least square regression (PLSR). Model validation was performed by randomly splitting the data set into calibration and validation data set (63 samples as a calibration data set and 42 samples as a validation data set). The developed NIR calibration gave results comparable to the known values of tablets in a laboratorial manufacturing process with standard error of calibration (SEC) and standard error of prediction (SEP) of $1.06\%\;and\;1.04\%$, respectively. The NIR method showed good accuracy and repeatability. NIR spectroscopic determination in intact tablets allowed the potential use of real time monitoring for a running production process.