• Resources Recycling
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• v.27 no.1
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• pp.84-91
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• 2018

In this study, a novel soft information based most probable classification scheme is proposed for sorting recyclable metal alloys with laser induced breakdown spectroscopy (LIBS). Regression analysis with LIBS captured spectrums for estimating concentrations of common elements can be efficient for classifying unknown arbitrary metal alloys, even when that particular alloy is not included for training. Therefore, partial least square regression (PLSR) is employed in the proposed scheme, where spectrums of the certified reference materials (CRMs) are used for training. With the PLSR model, the concentrations of the test spectrum are estimated independently and are compared to those of CRMs for finding out the most probable class. Then, joint soft information can be obtained by assuming multi-variate normal (MVN) distribution, which enables to account the probability measure or a prior information and improves classification performance. For evaluating the proposed schemes, MVN soft information is evaluated based on PLSR of LIBS captured spectrums of 9 metal CRMs, and tested for classifying unknown metal alloys. Furthermore, the likelihood is evaluated with the radar chart to effectively visualize and search the most probable class among the candidates. By the leave-one-out cross validation tests, the proposed scheme is not only showing improved classification accuracies but also helpful for adaptive post-processing to correct the mis-classifications.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.22 no.1
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• pp.208-213
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• 2021

There is a lack of studies comparing the internal quality of fruit with its external quality. However, issues of internal quality of fruit such as internal browning are important. We propose a method of classifying normal apples and internally browned apples using a near-infrared (NIR) non-destructive system. Specifically, we found the optimal wavelength and characteristics of the spectra for determining the internal browning of Fuji apples. The NIR spectra of apples were obtained in the wavelength range of 470-1150 nm. A group of normal apples and a group of internally browned apples were identified using principal component analysis (PCA), and a partial least squares regression (PLSR) analysis was performed to develop and evaluate the discriminant model. The PCA analysis revealed a clear difference between the normal and internally browned apples. From the PLSR, the correlation coefficient of the predictive model without pretreatment was determined to be 0.902 with an RMSE value of 0.157. The correlation coefficient of the predictive model with pretreatment was 0.906 with an RMSE value of 0.154. The results show that this model is suitable for classifying normal and internally browned apples and that it can be applied for the sorting and evaluation of agricultural products for internal and external defects.

• Food Engineering Progress
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• v.15 no.1
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• pp.48-55
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• 2011

In this research, the near-infrared absorption from 1,100-2,300 nm was used to measure the content of capsaicinoids in the red-pepper powder by using the Acousto-optic tunable filters (AOTF) spectrometer with sample plate and sample rotating unit. Non-spicy red-pepper samples from one location (Younggwang-gun. Korea) were mixed with spicy one (var. Chungyang) to make samples separated by particle size (below 0.425 mm, 0.425-0.71 mm, and 0.71- 1.4 mm). The Partial Least Squares Regression (PLSR) model to predict the capsaicinoid content on particle sizes was developed with measured spectra by AOTF spectrometer and used to analyze the amount of capsaicinoids by HPLC. The PLSR Model of red-pepper powder of below 0.425 mm, 0.425-0.71 mm, and 0.71-1.4 mm with cross validation had ${R_V}^2$ = 0.948-0.979 and Standard Error of Prediction (SEP) = 6.56-7.94 mg%. The prediction error of smaller particle size of red-pepper powder was low. The best PLSR model was found in pretreatment of Range Normalization, Standard Normal Variate, and 1st Derivatives of red-pepper powder of below 1.4 mm with cross validation, having ${R_V}^2$ = 0.959 and SEP = 8.82 mg%.

• IE interfaces
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• v.23 no.3
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• pp.229-238
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• 2010

Virtual metrology (VM), a critical component of semiconductor manufacturing, is an efficient way of assessing the quality of wafers not actually measured. This is done based on a model between equipment sensor data (obtained for all wafers) and the quality characteristics of wafers actually measured. This paper considers principal component regression (PCR), partial least squares regression (PLSR), kernel PCR (KPCR), and kernel PLSR (KPLSR) as VM models. For each regression model, two cases are considered. One utilizes all explanatory variables in developing a model, and the other selects significant variables using the genetic algorithm (GA). The prediction performances of 8 regression models are compared for the short- and long-term etch process data. It is found among others that the GA-KPLSR model performs best for both types of data. Especially, its prediction ability is within the requirement for the short-term data implying that it can be used to implement VM for real etch processes.

• YAKHAK HOEJI
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• v.42 no.6
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• pp.545-551
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• 1998

Near Infrared transmittance Spectroscopy (NIRS) was used to evaluate and quantify the pharmaceutical active compounds. In the paper, taurine (2-Aminoethanesulfonic acid) was quantitatively analyzed in commercial pharmaceutical preparations. For calibration a central composite factorial design was used to determine concentrations of ingredients in reference samples. For the quantitative analysis of taurine, the most suitable data analysis method includes the calculation of second derivatives and a partial least squares regression (PLSR) model. By NIR spectrometry, combined with PLSR, the taurine concentration was successfully predicted with a relative standard error of prediction (SEP) lower than 1.04%.

• YAKHAK HOEJI
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• v.46 no.5
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• pp.331-336
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• 2002

The purpose of this study is to develop a non-invasive blood glucose measurement method by a portable near infrared (NIR) system which was newly integrated by our lab. The portable NIR system includes a tungsten halogen lamp, a specialized reflectance fiber optic probe and a photo diode array type InGaAs detector; which was developed by a microchip technology based on the lithography. Reflectance NIR spectra of different parts of human body (finger tip, earlobe, and inner lip) were recorded by using a fiber optic probe. The spectra were collected over the spectral range 1100 ∼ 1740 nm. Partial least squares regression (PLSR) was applied for the calibration and validation for the determination of blood glucose. The calibration model from earlobe spectra presented better results, showing good correlation with a glucose oxidase method which is a mostly used standard method. This model predicted the glucose concentration for validation set with a SEP of 33 mg/dL. This study indicated the feasibility for non-invasive monitoring of blood glucose by a portable near infrared system.

• YAKHAK HOEJI
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• v.47 no.5
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• pp.261-265
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• 2003

Near-infrared (NIR) system was used to determine rapidly and simply indomethacin in buffer solution for a dissolution test of tablets and capsules. Indomethacin standards were prepared ranging from 10 to 50 ppm using the mixture of phosphate buffer (pH 7.2) and water (1 : 4). The near-infrared (NIR) transmittance spectra of indomethacin standard solutions were collected by using a quartz cell in 1 mm and 2 mm pathlength. Partial least square regression (PLSR) was explored to develop calibration models over the spectral range 1100∼1700 nm. The model using 1 mm quartz cell was better than that using 2 mm quartz cell. The PLSR models developed gave standard error of prediction (SEP) of 0.858 ppm. In order to validate the developed calibration model, routine analysis was performed using another standard solutions. The NIR routine analysis showed good correlation with actual values. Standard error of prediction (SEP) is 1.414 ppm for 7 indomethacin samples in routine analysis and its error was permeable in the regulation of Korean Pharmacopoeia (VII). These results show the potential use of the real time monitoring for indomethacin during a dissolution test.

• Journal of the Korean Data and Information Science Society
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• v.25 no.5
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• pp.1151-1160
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• 2014

In DNA microarray studies, the number of genes far exceeds the number of samples and the gene expression measures are highly correlated. Partial least squares regression (PLSR) is one of the popular methods for dimensional reduction and known to be useful for the classifications of microarray data by several studies. In this study, we suggest a modified version of the partial least squares regression to analyze gene expression data with survival information. The method is designed as a new gene selection method using PLSR with an iterative procedure of imputing censored survival time. Mean square error of prediction criterion is used to determine the dimension of the model. To visualize the data, plot for variables superimposed with samples are used. The method is applied to two microarray data sets, both containing survival time. The results show that the proposed method works well for interpreting gene expression microarray data.

• Journal of environmental and Sanitary engineering
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• v.23 no.2
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• pp.19-25
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• 2008

For measurement of tylosin, ammonia nitrogen, and glucose concentration during the culture of Streptomyces fradiae using Near Infrared Spectroscopy, the calibration using various mathematical models was performed and then, based on the linear model, the validation was carried out. In the case of sucrose concentration using the MLR method, the Standard Error of Prediction and Multiple correlation coefficient were 1.97, and 0.991, respectively. In the case of ammonia nitrogen concentration using the PLSR method, the Standard Error of Prediction and Multiple correlation coefficient were 0.13, and 0.990, respectively. In the case of tylosin concentration using the PLSR method, the standard Error of Prediction and Multiple correlation coefficient were 0.54, and 0.984, respectively.

• Proceedings of the PSK Conference
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• 2003.10b
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• pp.218.3-218.3
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• 2003

In this study, a FT-NIR spectroscopy was used to determine skin moisture. NIR diffuse reflectance spectra were collected from separated dorsal and abdominal hairless mouse skin. Partial least squares regression (PLSR) was applied to develop calibration models that determine the water content. The seven spectra regions, such as 833-2500, 1100-2250, 1100-1750, 1750-2250, 1200-1600, 1800-2200, and 1200-2200 except 1600-1800 nm, were investigated for the best model by PLSR. The developed model predicted skin moisture for validation set with a standard errors of prediction (SEP) of 4.43%, when used 833-2500 nm. (omitted)