• The Korean Journal of Applied Statistics
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• v.25 no.1
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• pp.225-237
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• 2012

This study proposes a quantification algorithm for a PLS method with several sets of variables. We called the quantification method for PLS with more than 2 sets of data a generalization. The basis of the quantification for PLS method is singular value decomposition. To derive the form of singular value decomposition in the data with more than 2 sets more easily, we used the constraint, $a^ta+b^tb+c^tc=3$ not $a^ta=1$, $b^tb=1$, and $c^tc=1$, for instance, in the case of 3 data sets. However, to prove that there is no difference, we showed it by the use of 2 data sets case because it is very complicate to prove with 3 data sets. The keys of the study are how to form the singular value decomposition and how to get the coordinates for the plots of variables and observations.

• Communications for Statistical Applications and Methods
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• v.16 no.3
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• pp.421-428
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• 2009

On the visualization of categorical data, if the number of categories is small, we can consider Hayashi Quantification Method 3 for visualization of the categories of the variables. But it is known that the method is unstable because it quantifies more significantly for the small frequency categories rather than large frequency categories. The purpose of this research is to propose the visualization of large two-way crosstabulation data by PLS methods for checking the relationship between the categories of row and column variables. In this research, we utilize the PLS visualization methods (Huh et al., 2007) that is proposed for visualization of the qualitative data to visualize the categories of the large categorical data. We also compared both methods by applying them to real data, and studied the results from PLS visualization method on the real categorized data with many categories.

• The Korean Journal of Applied Statistics
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• v.20 no.2
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• pp.345-355
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• 2007

PLS methods are suited for regressing q-variate Y variables on p-variate X variables even in the presence of multicollinearity problem among X variables. Consequently, they are useful for analyzing datasets with smaller number of observations compared to the number of variables, such as NIR(near-infrared) spectroscopy data in chemometrics. In this study, we propose two visualizing methods of p-variate X variables and q-variate Y variable that can be used in connection with PLS analysis.

• Journal of Korean Society for Quality Management
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• v.30 no.3
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• pp.38-52
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• 2002

This paper is concerned with the analysis of structural equation model(SEM) with the ordinal data such as Likert scale. The SEM is misused when the arbitrary scores allocated to the Likert scale are treated as quantitative data. The underlying distribution approaches have been studied to solve this problem, and the partial least squares(PLS) Is also tried. In this paper the quantification methods for the Likert scale are proposed to analyze the SEM. We assume that the Likert scale is an observation of the interval of the continuous underlying distribution, and the respondents have their own patterns in the response of some questions. Normal and beta distributions as the response patterns are considered to quantify the Likert scale. To compare the efficiency of the proposed method the bootstrap simulations are tried.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.4111-4111
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• 2001

When a drug is prepared in a tablet, the active component represents only a small portion of the dosage form. The other components of the formulation include materials to assist in the dissolution, antioxidants, coloring agents and bulk fillers. The tablets are tested using approved testing methods usually involving separation and subsequent quantification of the active component. Tablets may also be tested by near-Infrared Reflectance spectrometry (NIRS). In the present study, based on NIRS and multivariate calibration methods, a novel and precise method is developed for direct determination of ascorbic acid in vitamin C tablet. Two different tablet formulations were powdered in three different sizes, 63-125 ${\mu}{\textrm}{m}$, and examined. Spectral region of 4750-4950 $cm^{-1}$ / was used and optimized for quantitative operations. Partial least squares (PLS) and multiple linear regression (MLR) methods were performed for this spectral region. The results of optimized PLS and MLR methods showed that reproducibility increase with decreasing grain size and standard error of calibration (SEP) of less than 1% w/w of ascorbic acid and a correlation coefficient of 0.998 can be achieved. The PLS method showed better results than MLR. Seven overdose and underdose samples (prepared in the laboratory to match marketed products) were tested by proposed and iodometric standard methods. A correlation between NIRS predicted ascorbic acid values and iodomet.ic values was calculated ($R^2$=0.9950). Finally, the direct analysis of individual intact tablets in their unit-dose packages (Blistering in aluminum and PVC foils) obtained from market were also carried out and a correlation coefficient of 0.9989 and SEP of 0.931% w/w of ascorbic acid were achieved.

• Korean Journal of Remote Sensing
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• v.37 no.4
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• pp.777-788
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• 2021

Since aerosol has a relatively short duration and significant spatial variation, satellite observations become more important for the spatially and temporally continuous quantification of aerosol. However, optical remote sensing has the disadvantage that it cannot detect AOD (Aerosol Optical Depth) for the regions covered by clouds or the regions with extremely high concentrations. Such missing values can increase the data uncertainty in the analyses of the Earth's environment. This paper presents a spatial gap-filling framework using a univariate statistical method such as DCT-PLS (Discrete Cosine Transform-based Penalized Least Square Regression) and FMM (Fast Matching Method) inpainting. We conducted a feasibility test for the hourly AOD product from AHI (Advanced Himawari Imager) between January 1 and December 31, 2019, and compared the accuracy statistics of the two spatial gap-filling methods. When the null-pixel area is not very large (null-pixel ratio < 0.6), the validation statistics of DCT-PLS and FMM techniques showed high accuracy of CC=0.988 (MAE=0.020) and CC=0.980 (MAE=0.028), respectively. Together with the AI-based gap-filling method using extra explanatory variables, the DCT-PLS and FMM techniques can be tested for the low-resolution images from the AMI (Advanced Meteorological Imager) of GK2A (Geostationary Korea Multi-purpose Satellite 2A), GEMS (Geostationary Environment Monitoring Spectrometer) and GOCI2 (Geostationary Ocean Color Imager) of GK2B (Geostationary Korea Multi-purpose Satellite 2B) and the high-resolution images from the CAS500 (Compact Advanced Satellite) series soon.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.4114-4114
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• 2001

For the quality control of tablets several parameters have to be checked. The most important one is the content of an active ingredient which has to match a narrow range around the designated content. The only useful measurement mode is transmission which provides information of the complete tablet. A measurement in diffuse reflectance would register only the surface which is useless especially in case of a coated tablet. In this work tablets for a clinical study (placebo/verum studies) with very low concentrations of the active ingredient were measured. The concentration range was 0 to 6 mg with a total weight of the tablets of 105 mg, leading to a highest concentration of the active component of 5.7% by weight. Especially the spectroscopic distinction between the placebo and the low dosage forms with 0.25 and 0.5 mg active agent requires an extraordinarily accurate sampling technique. Using the VECTOR 22/N-T in transmission mode allows the collection of the information from the complete tablets. A quantitative PLS-model with transmission spectra from the tablets described above shows that the active substance can be predicted with a RMSECV (root mean square error of cross validation) of 0.04% absolute for this special application. The results are compared with those of measurements in diffuse reflectance using different accessories.

• Bulletin of the Korean Chemical Society
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• v.29 no.1
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• pp.61-68
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• 2008

High initial (2 minutes after iv injection) brain-uptake of PET agents is required to deliver the agent to binding sites in brain tissue but, for quantification of the specific binding, relatively rapid washout of free and non-specifically bound PET agents from the brain (30 minutes after injection) also is required. In order to compare the physicochemical properties of the PET agents which are responsible for early brain-uptake and rapid washout, respectively, chemometric analysis on brain-uptake of PET agents was performed via a classical VolSurf approach. According to the PCA and PLS results, high 2-30 min brain-uptake ratio seems to be related to the large hydrophobic regions in the PET agents which are not confined to a particular surface.

• YAKHAK HOEJI
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• v.49 no.2
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• pp.115-121
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• 2005

In this study, the performance of a portable NIR system and a FT NIR spectrometer were compared to determine water content of hairless mouse skin. The stratum corneum parts wer e separated from the epidermal tissues by trypsin solution. NIR diffuse reflectance spectra of hairless mouse skin were acquired using a fiber optic probe. In the near infrared, water molecules show two clear absorption bands at 1450 nm from first overtone of O-H stretching and 1940 nm from the combination involving O-H stretching and O-H deformation. It was found that the variations of O-H absorption band according to water content. Partial least squares regression (PLSR) was applied to develop a calibration model. The PLS model showed a good correlation between NIR predicted value and the absolute water content of separated hairless mouse skin, in vitro. For both the portable and the FT NIR spectrometer, These studies showed the possibility of a rapid and nondestructive skin moisture measurement using NIR spectroscopy. The portable NIR spectrometer with a photodiode arrays-microsensor could be more rapidly applied for the determination of water content with comparable accuracy with the performance of a FT spectrometer .

• Journal of Plant Biotechnology
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• v.42 no.1
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• pp.60-70
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• 2015

The aim of this study was to investigate whether fourier transform infrared (FT-IR) spectroscopy can be applied to simultaneous determination of fatty acids contents in different soybean cultivars. Total 153 lines of soybean (Glycine max Merrill) were examined by FT-IR spectroscopy. Quantification of fatty acids from the soybean lines was confirmed by quantitative gas chromatography (GC) analysis. The quantitative spectral variation among different soybean lines was observed in the amide bond region ($1,700{\sim}1,500cm^{-1}$), phosphodiester groups ($1,500{\sim}1,300cm^{-1}$) and sugar region ($1,200{\sim}1,000cm^{-1}$) of FT-IR spectra. The quantitative prediction modeling of 5 individual fatty acids contents (palmitic acid, stearic acid, oleic acid, linoleic acid, linolenic acid) from soybean lines were established using partial least square regression algorithm from FT-IR spectra. In cross validation, there were high correlations ($R^2{\geq}0.97$) between predicted content of 5 individual fatty acids by PLS regression modeling from FT-IR spectra and measured content by GC. In external validation, palmitic acid ($R^2=0.8002$), oleic acid ($R^2=0.8909$) and linoleic acid ($R^2=0.815$) were predicted with good accuracy, while prediction for stearic acid ($R^2=0.4598$), linolenic acid ($R^2=0.6868$) had relatively lower accuracy. These results clearly show that FT-IR spectra combined with multivariate analysis can be used to accurately predict fatty acids contents in soybean lines. Therefore, we suggest that the PLS prediction system for fatty acid contents using FT-IR analysis could be applied as a rapid and high throughput screening tool for the breeding for modified Fatty acid composition in soybean and contribute to accelerating the conventional breeding.