• Title/Summary/Keyword: PLS Regression

Search Result 175, Processing Time 0.03 seconds

Discrimination of Herbal Medicine According to Geographical Origin (Korea, China) Using Near Infrared Reflectance Spectroscopy (근적외선 분광분석법을 이용한 생약의 원산지 판별)

  • Woo, Young-Ah;Cho, Chang-Hee;Kim, Hyo-Jin;Cho, Jung-Hwan;Cho, Kyung-Kye
    • YAKHAK HOEJI
    • /
    • v.42 no.4
    • /
    • pp.359-363
    • /
    • 1998
  • Near infrared reflectance spectroscopy (NIRS) was applied for discrimination according to geographical origin (Korea, China) of herb drugs. Herbal medicine has an important role in clinical therapy in Asian countries such as Korea and China. The objective of this study is to provide a convenient and accurate method to determinate geographical origin (Korea, China) of herbal medicine for quality control whose quality is generally different according to geographical origin. A rapid, nondestructive and accurate discrimination was achieved by NIRS. Second derivative spectra of herb drugs were subjected to discriminant analysis. Herbal medicine drugs such as Cassia Semen, Ganoderma and Smilacis Rhizoma was discriminated accurately according to geographical origin using PLS regression method.

  • PDF

Aqueous Glucose Solution Measurement by Three Types NIR Spectrometer (세 가지 방식의 근적외선 분광분석기를 이용한 글루코오스 수용액의 측정)

  • 백주현;강나루;우영아;김효진
    • YAKHAK HOEJI
    • /
    • v.47 no.6
    • /
    • pp.461-468
    • /
    • 2003
  • A method is described for measuring clinically relevant levels of glucose in a pH 7.4 phosphate buffer by nearinfrared (NIR) absorption spectroscopy. Three types of NIR spectrometer, dispersive type, photo-diode array (PDA) type, and fourier transform (FT) type spectrometer were used and the performance was compared. Spectra were collected with a cuvette cell or quartz liquid fiber of 1 mm or 2 mm optical pathlength as transmittance method. Glucose absorption band appeared at second overtone, first overtone, and combination region for all systems. By use of the multivariate technigue of partial least squares (PLS) regression, glucose concentrations can be determined with a 16, 44, and 9.1 mg/d l standard error of prediction for dispersive type, photo-diode array type, and fourier transform type system, respectively. Sensitivity of spectrometer was evaluated by absorbance for the difference of 10 mg/d l glucose. Three absorption bands, second overtone, first overtone, and combination region were suited to three types systems, dispersive type, photo-diode array type, and fourier transform type systems, respectively. This investigation showed that three types NIR spectrometer were proper method for identification and quantitative analysis of glucose and possible for noninvasive blood glucose monitoring.

The Impact of E-Service Quality and Satisfaction on Customer Loyalty: Empirical Evidence from Internet Banking Users in Indonesia

  • SASONO, Ipang;JUBAEDI, Ahmad Dedi;NOVITASARI, Dewiana;WIYONO, Nuri;RIYANTO, Riyanto;OKTABRIANTO, Oktabrianto;JAINURI, Jainuri;WARUWU, Hatoli
    • The Journal of Asian Finance, Economics and Business
    • /
    • v.8 no.4
    • /
    • pp.465-473
    • /
    • 2021
  • This research is motivated by the concept of online banking or Internet banking where consumers aren't required to visit a bank branch to complete most of their basic banking transactions. They can do all of this at their own convenience, wherever they want. This research aims to find out the role of e-satisfaction in mediating the influence of e-service quality on the e-loyalty of the customer of a private bank in Indonesia. The method of data collection in this research is by using probability sampling with the simple purposive sampling technique. Data that is collected from 205 respondents is the data that meet the criteria, which are the respondent needs to be a bank customer and must have an Internet banking account. The analysis method that is used is regression analysis through the SEM method with the aid of SmartPLS 3.0 software to test the significance of e-satisfaction role in mediating the relationship between e-service quality and e-loyalty. The research result shows that e-service quality has a significant positive influence on e-satisfaction; e-satisfaction has a significant positive influence on e-loyalty, e-service has a significant positive influence on e-loyalty, and e-satisfaction significantly mediate the influence of e-service quality towards e-loyalty.

Development of QSAR Model Based on the Key Molecular Descriptors Selection and Computational Toxicology for Prediction of Toxicity of PCBs (PCBs 독성 예측을 위한 주요 분자표현자 선택 기법 및 계산독성학 기반 QSAR 모델 개발)

  • Kim, Dongwoo;Lee, Seungchel;Kim, Minjeong;Lee, Eunji;Yoo, ChangKyoo
    • Korean Chemical Engineering Research
    • /
    • v.54 no.5
    • /
    • pp.621-629
    • /
    • 2016
  • Recently, the researches on quantitative structure activity relationship (QSAR) for describing toxicities or activities of chemicals based on chemical structural characteristics have been widely carried out in order to estimate the toxicity of chemicals in multiuse facilities. Because the toxicity of chemicals are explained by various kinds of molecular descriptors, an important step for QSAR model development is how to select significant molecular descriptors. This research proposes a statistical selection of significant molecular descriptors and a new QSAR model based on partial least square (PLS). The proposed QSAR model is applied to estimate the logarithm of partition coefficients (log P) of 130 polychlorinated biphenyls (PCBs) and lethal concentration ($LC_{50}$) of 14 PCBs, where the prediction accuracies of the proposed QSAR model are compared to a conventional QSAR model provided by OECD QSAR toolbox. For the selection of significant molecular descriptors that have high correlation with molecular descriptors and activity information of the chemicals of interest, correlation coefficient (r) and variable importance of projection (VIP) are applied and then PLS model of the selected molecular descriptors and activity information is used to predict toxicities and activity information of chemicals. In the prediction results of coefficient of regression ($R^2$) and prediction residual error sum of square (PRESS), the proposed QSAR model showed improved prediction performances of log P and $LC_{50}$ by 26% and 91% than the conventional QSAR model, respectively. The proposed QSAR method based on computational toxicology can improve the prediction performance of the toxicities and the activity information of chemicals, which can contribute to the health and environmental risk assessment of toxic chemicals.

Comparative molecular similarity indices analyses (CoMSIA) and hologram quantitative structure activity relationship (HQSAR) on the fungicial activity of 2-N-benzyl-5-phenoxy-3-isothiazolone derivatives against phytophthora blight fungus (고추역병균에 대한 2-N-benzyl-5-Phenoxy-3-isothiazolone 유도체의 살균활성에 관한 비교분자 유사성 지수분석(CoMSIA)과 홀로그램 구조-활성 관계(HQSAR))

  • Sung, Nack-Do;Kim, Ki-Hyun
    • The Korean Journal of Pesticide Science
    • /
    • v.6 no.3
    • /
    • pp.209-217
    • /
    • 2002
  • Two different QSAR methods, the comparative molecular similarity indices analyses (CoMSIA) and hologram quantitative structure activity relationship (HQSAR) are studied for the fungicidal activities ($pI_{50}$) of 2-N-benzyl-5-phenoxy-3-isothiazolone derivatives against sensitive (SPC: 95CC7105) and resisitive (RPC: 95CC7303) phytophthora blight fungus (Phytaphthora capsici). According to the findings from these QSAR investigation, the cross-validation value, $q^2$ and Pearson correlation coefficient, $r^2$ in the two methods were CoMSIA: RPC; $q^2=0.675,\;r^2=0.942$, SPC; $q^2=0.350,\;r^2=0.876$ and HQSAR: RPC; $q^2=0.519,\;r^2=0.869$, SPC; $q^2=0.483,\;r^2=0.990$, respectively. Therefore, the two models of comparative statistical significance were obtained. From the CoMSIA contour maps, the important factors for selective fungicidal activity against RPC are to be expected that the lower hydrophobic and not bulkiness substituent as hydrogen bonding acceptor have to introduce to meta and para-position (C1-C6) on the phenoxy moiety. And the results of prediction suggest that HQSAR method showed higher fungicidal activity than CoMSIA method.

A Study of Chinese Student Adaptation to Korean Universities and Level of Satisfaction with University Life (중국인 유학생의 대학생활 적응과 대학생활 만족도에 미치는 영향에 관한 연구)

  • Kim, JongWeon;Kim, EunJung
    • Journal of Korea Society of Industrial Information Systems
    • /
    • v.24 no.4
    • /
    • pp.99-112
    • /
    • 2019
  • The landscape of the education market is changing. As part of efforts to deal with the decrease of a school-age population in Korea, Korean universities and colleges are endeavoring to attract foreign students. Chinese students, the largest share of foreign university students in Korea, are becoming an important element at Korean universities and colleges. Chinese students face various kinds of difficulties while trying to cope with new environments in the country. This study aims to analyze the impact of academic factors and psychological factors of Chinese students on the level of adaptation to university life and their satisfaction with it. Data on 128 Chinese students attending D University located in Busan were collected and a path analysis was conducted using partial least squares (PLS) regression. Research results are as follows. First, professors as an academic factor and the level of interest of university staff have significant impact on the level of adaptation to university life while Korean language proficiency does not have significant impact on the level of adaptation to university life. Second, homesickness as a psychological factor is correlated to the level of adaptation to university life with significance while acculturative stress is not correlated to it. Third, the level of adaptation to university life is correlated to the level of satisfaction with university life. Based on these findings, the significance, limitations and future directions of this study are discussed.

The Effects of Perceived Value and Stress on Continuous Intention in SNS : Focused on the Moderating Effect of SNS Type (SNS에서 지각된가치와 스트레스가 지속사용의도에 미치는 영향 : SNS 유형의 조절효과를 중심으로)

  • Kwon, Ki Chol;Kim, Hyun Ah;Seo, Young Wook
    • Journal of the Korea Academia-Industrial cooperation Society
    • /
    • v.21 no.12
    • /
    • pp.120-130
    • /
    • 2020
  • This study examined the effects of perceived value (functional value, social value) and stress (complexity, insecurity) on continuous intention in SNS. In particular, this study examined the direct and indirect impacts of SNS type on the intention of continuing to use SNS. The research model was tested for 461 respondents that used SNS. SPSS 21.0 and PLS 2.0 techniques were used to perform reliability, feasibility, path and hierarchical regression analysis. The summary of the research results is as follows. First, the results indicate that functional value and social value have positive effects on satisfaction. Second, the results indicate that complexity had a negative effect on satisfaction. Third, the results indicate that insecurity and satisfaction have positive effects on continuous intention. Fourth, the results indicate that SNS type had a negative effect on continuous intention. Fifth, it was shown that SNS type had a moderating effect in the relationship between insecurity and continuous intention. Specifically, Insecurity had a stronger effect on continuous intention at closed-type SNS than open-type SNS. These findings suggest that closed-type SNS companies will have to address the anxiety of SNS users by providing various items and system devices.

Near Infrared Spectroscopy for Diagnosis: Influence of Mammary Gland Inflammation on Cow´s Milk Composition Measurement

  • Roumiana Tsenkova;Stefka Atanassova;Kiyohiko Toyoda
    • Near Infrared Analysis
    • /
    • v.2 no.1
    • /
    • pp.59-66
    • /
    • 2001
  • Nowadays, medical diagnostics is efficiently supported by clinical chemistry and near infrared spectroscopy is becoming a new dimension, which has shown high potential to provide valuable information for diagnosis. The investigation was carried out to study the influence of mammary gland inflammation, called mastitis, on cow´s milk spectra and milk composition measured by near infrared spectroscopy (NIRS). Milk somatic cell counts (SCC) in milk were used as a measure of mammary gland inflammation. Naturally occurred variations with milk composition within lactation and in the process of milking were included in the experimental design of this study. Time series of unhomogenized, raw milk spectral data were collected from 3 cow along morning and evening milking, for 5 consecutive months, within their second lactation. In the time of the trial, the investigated cows had periods with mammary gland inflammation. Transmittance spectra of 258 milk samples were obtained by NIRSystem 6500 spectrophotometer in 1100-2400 nm region. Calibration equations for the examined milk components were developed by PLS regression using 3 different sets of samples: samples with low somatic cell count (SCC), samples with high SCC and combined data set. The NIR calibration and prediction of individual cow´s milk fat, protein, and lactose were highly influenced by the presence of mil samples from animals with mammary gland inflammation in the data set. The best accuracy of prediction (i.e. the lower SEP and the higher correlation coefficient) for fat, protein and lactose was obtained for equations, developed when using only “healthy” samples, with low SCC. The standard error of prediction increased and correlation coefficient decreased significantly when equations for low SCC milk were used to predict examined components in “mastitis” samples with high SCC, and vice versa. Combined data set that included samples from healthy and mastitis animals could be used to build up regression models for screening. Further use of separate model for healthy samples improved milk composition measurement. Regression vectors for NIR mild protein measurement obtained for “healthy” and “mastitic” group were compared and revealed differences in 1390-1450 nm, 1500-1740 nm and 1900-2200 nm regions and thus illustrated post-secretory breakdown of milk proteins by hydrolytic enzymes that occurred with mastitis. For the first time it has been found that monitoring the spectral differences in water bands at 1440 nm and 1912 nm could provide valuable information for inflammation diagnosis.

Estimation of Nitrate Nitrogen Concentration in Liquid Fertilizer Contaminated Areas using Hyperspectral Images (초분광 영상을 이용한 액비 오염지역의 질산성질소 농도 추정)

  • Lim, Eun Sung;Kim, I Seul;Han, Soo Jeong;Lim, Tai Yang;Song, Wonkyong
    • Journal of the Society of Disaster Information
    • /
    • v.16 no.3
    • /
    • pp.542-549
    • /
    • 2020
  • Purpose: As nitrate nitrogen produced during fermentation of liquid fertilizer is a pollution indicator of water, in this study, four research areas where liquid fertilizer was sprayed were selected, and a model was designed to estimate the concentration of nitrate nitrogen pollution. Method: Prior to shooting on site, a spectrum library was constructed by dividing the ratio of liquid fertilizer into 5 groups: 0%, 25%, 50%, 75%, and 100%. PLSR (Partial least squares regression) method was applied to hyperspectral images acquired in the study area based on the aspect of spectrum. Result: The behavior of nitrate nitrogen was confirmed by 1st and 2nd differentiation of the spectrum of the constructed liquid fertilizer. PLSR concentration estimation modeling was implemented using images from field experiments and compared with actual concentration of nitrate nitrogen. Conclusion: When comparing the PLSR concentration estimation model with the actual concentration of nitrate nitrogen, it was measured that the detection is possible in high concentration areas where the concentration of nitrate nitrogen is 70mg/kg or more.

Determination of water content in alcohol by portable near infrared (NIR) system (휴대용 분광분석기를 이용한 알코올 중에 함유되어 있는 물의 측정)

  • Ahn, Jhii-Weon;Woo, Young-Ah;Kim, Hyo-Jin
    • Analytical Science and Technology
    • /
    • v.16 no.2
    • /
    • pp.95-101
    • /
    • 2003
  • In this study, water content in the mixture of methanol and ethanol was nondestructively measured by near infrared (NIR) spectroscopy. Two types of NIR instruments, portable NIR system with a photo-diode array and scanning type NIR spectrometer were used and the calibration results were compared. Partial least squares regression (PLSR) was applied for the calibration and validation for the quantitative analysis. The calibration results from both instruments showed good correlation with actual values. The calibration with the use of PLS model predicted water concentration with a standard error of prediction (SEP) of 0.10% and 0.12% for photo diode array and scanning type, respectively. During 6 days, routine analyses for 3%, 5% and 7% water in ethanol solution with 2% methanol were performed to validate the robustness of the developed calibration model. The routine analyses showed good results with coefficient of variation (CV) of within 3% for both types of NIR spectrometers. This study showed that the rapid determination of water in the mixture of methanol and ethanol was successfully performed by NIR spectroscopy and the performance of the portable NIR system with a photo diode array detector was comparable to that of the scanning type NIR spectrometer.