• Journal of the Korean Chemical Society
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• v.47 no.1
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• pp.19-25
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• 2003

A spectrophotometric method for the simultaneous determination of anionic and nonionic surfactant based on the application of multivariate calibration method such as principal component regression(PCR) and partial least squares(PLS) has been studied. The calibration models in PCR and PLS were obtained from the spectral data in the range of 400~700 nm for each standard of a calibration set of 26 standards, each containing different amounts of two surfactants. The relative standard error of prediction(RSEP$_{\alpha}$) was obtained to assess the model goodness in quantifying each analyte in a 5 validation samples which containing different amounts of two surfactants.

• Korean Chemical Engineering Research
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• v.48 no.6
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• pp.717-724
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• 2010

The flash point is one of the most important physical properties used to determine the potential for fire and explosion hazards of flammable liquids. Despite the needs of the experimental flash point data for the design and construction of chemical plants, there is often a significant gap between the demands for the data and their availability. This study have built and compared two models of partial least squares(PLS) and support vector machine(SVM) to predict the experimental flash points of 893 organic compounds out of DIPPR 801. As the independent variables of the models, 65 functional groups were chosen based on the group contribution method that was oriented from the assumption that each fragment of a molecule contributes a certain amount to the value of its physical property, and the logarithm of molecular weight was added. The prediction errors calculated from cross-validation were employed to determine the optimal parameters of two models. And, an optimization technique should be used to get three parameters of SVM model. This work adopted particle swarm optimization that is one of heuristic optimization methods. As the selection of training data can affect the prediction performance, 100 data sets of randomly selected data were generated and tested. The PLS and SVM results of the average absolute errors for the whole data range from 13.86 K to 14.55 K and 7.44 K to 10.26 K, respectively, indicating that the predictive ability of the SVM is much superior than PLS.

• Near Infrared Analysis
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• v.1 no.1
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• pp.23-26
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• 2000

The objectives of this study were to examine the ability to predict soluble solid and firmness in intact apple based on the visible/near-infrared spectroscopic technique. Two cultivars of apples, Delicious and Gala, were handled, tested and analyzed. Reflectance spectra, Magness-Taylor (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. Apple samples were divided in to a calibration set and a validation set. The method of partial least squares (PLS) analysis was used. a unique set of PLS loading vectors (factors) was development for soluble solid and firmness. The PLS model showed good relationship between predicted and measured soluble solids in intact apples in the wavelength range of 860∼1078 nm. However, the PLS analysis was not good enough to predict the apple firmness.

• Korean Journal of Metals and Materials
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• v.56 no.11
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• pp.813-821
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• 2018

The basic oxygen furnace (BOF) steelmaking process in the steel industry is highly complicated, and subject to variations in raw material composition. During the BOF steelmaking process, it is essential to maintain the carbon content and the endpoint temperature at their set points in the liquid steel. This paper presents intelligent models used to estimate the endpoint temperature in the basic oxygen furnace (BOF) steelmaking process. An artificial neural network (ANN) model and a least-squares support vector machine (LSSVM) model are proposed and their estimation performance compared. The classical partial least-squares (PLS) method was also compared with the others. Results of the estimations using the ANN, LSSVM and PLS models were compared with the operation data, and the root-mean square error (RMSE) for each model was calculated to evaluate estimation performance. The RMSE of the LSSVM model 15.91, which turned out to be the best estimation. RMSE values for the ANN and PLS models were 17.24 and 21.31, respectively, indicating their relative estimation performance. The essential input parameters used in the models can be selected by sensitivity analysis. The RMSE for each model was calculated again after a sequential input selection process was used to remove insignificant input parameters. The RMSE of the LSSVM was then 13.21, which is better than the previous RMSE with all 16 parameters. The results show that LSSVM model using 13 input parameters can be utilized to calculate the required values for oxygen volume and coolant needed to optimally adjust the steel target temperature.

• Journal of Pharmaceutical Investigation
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• v.41 no.6
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• pp.377-380
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• 2011

The Artemisia princeps (Compositae) has been used in traditional Korean medicine for the treatment of microbial infections and inflammatory diseases. Since A. princeps is generally difficult to be discriminated from A. capillaris, A. caplillaris has been misused in place of A. princeps. To solve this problem, a rapid and nondestructive method for discrimination of A. princeps and A. capillaris samples was developed using near infrared spectroscopy (NIRS) in the present study. A principal component analysis (PCA) and a partial least squares discrimination analysis (PLS-DA) were performed to discriminate two species. As a result, with the use of PLS-DA, A. princeps and A. capillaris were clustered according to their genus. These outcomes indicated that the NIRS could be useful for the discrimination between Artemisia princeps and Artemisia capillaris.

• The Journal of Asian Finance, Economics and Business
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• v.8 no.1
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• pp.335-341
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• 2021

This study aims to document empirically the individual factors that influence the intention to do whistleblowing. This study uses several variables, including internal locus of control, external locus of control, and whistleblowing intention. The use of the theory of Planned Behavior in this study is to explain and analyze the perception of behavior control as a determinant of whistleblowing intention. A quantitative research approach is used. The type of data in this study is primary data in the form of a questionnaire. The data collection method in this research is using the survey method. The sampling technique used a nonprobability sampling method, namely, the census method. The census method is the entire population sampled. The population in this study was all employees of the Pratama tax office in West Semarang. The research was conducted by distributing 111 questionnaires. Ninety-one valid questionnaires were returned appropriate for analysis. The data were processed using Partial Least Square-Structural Equation Modeling ((PLS-SEM) using the Warp PLS 7.0 program. WarpPLS 7.0 was used to test hypotheses and the relationship between variables. The study results showed that both internal locus of control and external locus of control affect whistleblowing intention.

• Proceedings of the Korean Society for Agricultural Machinery Conference
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• 2017.04a
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• pp.44-44
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• 2017

The objective of this study was to evaluate firmness, and sweetness index (SI) of tomatoes (Lycopersicum esculentum) by using hyperspectral imaging (HSI) in the range of 1000-1400 nm. The mean spectra of the 95 matured tomato samples were extracted from the hyperspectral images, and the reference firmness and sweetness index of the same sample were measured and calibrated with their corresponding spectral data by partial least squares (PLS) regression with different preprocessing method. The results showed that the regression model developed by PLS regression based on Savitzky-Golay (S-G) second-derivative preprocessed spectra resulted in better performance for firmness, and SI of tomatoes compared to models developed by other preprocessing methods, with correlation coefficients (rpred) of 0.82, and 0.74 with standard error of prediction (SEP) of 0.86 N, and 0.63 respectively. Then, the feature wavelengths were identified using model-based variable selection method, i.e., variable important in projection (VIP), resulting from the PLS regression analyses and finally chemical images were derived by applying the respective regression coefficient on the spectral image in a pixel-wise manner. The resulting chemical images provided detailed information on firmness, and sweetness index (SI) of tomatoes. Therefore, these research demonstrated that HIS technique has a potential for rapid and non-destructive evaluation of the firmness and sweetness index of tomatoes.

• Korean Journal of Optics and Photonics
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• v.31 no.3
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• pp.125-133
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• 2020

An innovative method for separating overlapping latent fingerprints, using laser-induced plasma spectroscopy (LIPS) combined with multivariate analysis, is reported in the current study. LIPS provides the capabilities of real-time analysis and high-speed scanning, as well as data regarding the chemical components of overlapping fingerprints. These spectra provide valuable chemical information for the forensic classification and reconstruction of overlapping latent fingerprints, by applying appropriate multivariate analysis. This study utilizes principal-component analysis (PCA) and partial-least-squares (PLS) techniques for the basis classification of four types of fingerprints from the LIPS spectra. The proposed method is successfully demonstrated through a classification example of four distinct latent fingerprints, using discrimination such as soft independent modeling of class analogy (SIMCA) and partial-least-squares discriminant analysis (PLS-DA). This demonstration develops an accuracy of more than 85% and is proven to be sufficiently robust. In addition, by laser-scanning analysis at a spatial interval of 125 ㎛, the overlapping fingerprints were separated as two-dimensional forms.

• Korean Journal of Agricultural Science
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• v.45 no.4
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• pp.823-837
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• 2018

The objective of this study was to evaluate the firmness and the sweetness index (SI) of tomatoes with a hyperspectral imaging (HSI) technique within the wavelength range of 1000 - 1550 nm. The hyperspectral images of 95 tomatoes were acquired with a push-broom hyperspectral reflectance imaging system, from which the mean spectra of each tomato were extracted from the regions of interest. The reference firmness and sweetness index of the same sample was measured and calibrated with their corresponding spectral data by partial least squares (PLS) regression with different preprocessing methods. The calibration model developed by PLS regression based on the Savitzky-Golay second-derivative preprocessed spectra resulted in a better performance for both the firmness and the SI of the tomatoes compared to models developed by other preprocessing methods. The correlation coefficients ($R_{pred}$) were 0.82, and 0.74 with a standard error of prediction of 0.86 N, and 0.63, respectively. Then, the feature wavelengths were identified using a model-based variable selection method, i.e., variable importance in projection, from the PLS regression analyses. Finally, chemical images were derived by applying the respective regression coefficients on the spectral image in a pixel-wise manner. The resulting chemical images provided detailed information on the firmness and the SI of the tomatoes. The results show that the proposed HSI technique has potential for rapid and non-destructive evaluation of firmness and the sweetness index of tomatoes.

• Journal of Biosystems Engineering
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• v.33 no.6
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• pp.430-437
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• 2008

Optical diffuse reflectance sensing in visible and near-infrared wavelength ranges is one approach to rapidly quantify soil properties for site-specific management. The objectives of this study were to investigate effects of preprocessing of reflectance data and determine the accuracy of the reflectance approach for estimating physical and chemical properties of selected Missouri and Illinois, USA surface soils encompassing a wide range of soil types and textures. Diffuse reflectance spectra of air-dried, sieved samples were obtained in the laboratory. Calibrations relating spectra to soil properties determined by standard methods were developed using partial least squares (PLS) regression. The best data preprocessing, consisting of absorbance transformation and mean centering, reduced estimation errors by up to 20% compared to raw reflectance data. Good estimates ($R^2=0.83$ to 0.92) were obtained using spectral data for soil texture fractions, organic matter, and CEC. Estimates of pH, P, and K were not good ($R^2$ < 0.7), and other approaches to estimating these soil chemical properties should be investigated. Overall, the ability of diffuse reflectance spectroscopy to accurately estimate multiple soil properties across a wide range of soils makes it a good candidate technology for providing at least a portion of the data needed in site-specific management of agriculture.