• Title/Summary/Keyword: Error Quantification

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Study on Dissolution Condition of Monsanto Catalyst (몬산토 촉매의 용해방법에 관한 연구)

  • Choi, Kwang Soon;Lee, Chang Heon;Pyo, Hyung Yeol;Park, Yang Soon;Joe, Kih Soo;Kim, Won Ho
    • Analytical Science and Technology
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    • v.14 no.4
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    • pp.317-323
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    • 2001
  • Dissolution procedures of Monsanto catalyst which has been used to produce acrylronitrile by ammoxidation of propylene have been studied. Optimum dissolution condition of the catalyst supported on silica was obtained by microwave digestion system with mixed of HCl, HF and $H_2O_2$. When a safety device was activated by increased pressure in microwave vessel, Bi, Fe, Mo, Sb and U were not volatilized even though silica was volatilized as $SiF_4$. Quantification results by this method were $SiO_2$ $50.5{\pm}0.4%$, $Sb_2O_3$ $29.6{\pm}0.6%$, $UO_2$ $10.2{\pm}0.1%$, $Fe_2O_3$ $6.1{\pm}0.1%$, $MoO_3$ $0.73{\pm}0.01%$ and $Bi_2O_3$ $0.49{\pm}0.01%$ by ICP-AES and the relative error was within ${\pm}10%$ except bismuth.

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APPLICATION STUDY OF CHEMOINFOMETRICAL NEAR-INFRARED SPECTROSCOPY IN PHARMACEUTICAL INDUSTRY

  • Otsuka, Makoto;Kato, Fumie;Matsuda, Yoshihisa
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.2111-2111
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    • 2001
  • A chemoinfometrical method for evaluating the quantitative determination of crystallinity one polymorphs based on fourie-transformed near-infrared (FT-NIR) spectroscopy was established. A direct comparison of the data with the ones collected from using the and compared with the conventional powder X-ray diffraction method was performed. [Method] The pPure a and g forms of indomethacin (IMC) were prepared by reportedusing published methods. Six kinds of standard samples obtained by physically mixing of a and g forms. After the powder X-ray diffraction profiles of samples have been measured, the intensity values were normalized to against the intensity of silicon powder as the as an external standard. The calibration curves for quantification of crystal content were based upon the total relative intensity of four diffraction peaks from of the form g crystal. FT-NIR spectra of six calibration sample sets were recorded 5 times with the NIR spectrometer (BRAN+LUEBBE). Chemoinfometric analysis was performed on the NIR spectral data sets by applying the principal component regression (PCR). [Results] The relation between the actual and predicted polymorphic contents of form g IMC measured using by the X-ray diffraction method shows a good straight linen linear relation., and it has slope of 0.023, an intercept of 0.131 and a correlation coefficient of 0.986. PCR analyses wereis was performed based on normalized NIR spectra sets offer standard samples of known content of IMC g form. IMC. A calibration equation was determined to minimize the root mean square error of the predictionthe prediction. Figure 1 shows a plot of the calibration data obtained by NIR method between the actual and predicted contents of form g IMC. The predicted values were reproducible and had a smaller standard deviation. Figure 2 shows that the plot for the predicted transformation rate (%) of form a IMC to form g as measured by X-ray diffractomeoy against to those as measured by NIR method. The plot has a slope of 1.296, an intercept of 1,109, and a correlation coefficient of 0.992. The line represents a satisfactory correlation between the two predicted values of form g IMC content. Thus NIR spectroscopy is an effective method for the evaluation to the pharmaceutical products of quantitative of polymorph.

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Development and validation of an LC-MS/MS method for determination of compound K in human plasma and clinical application

  • Kim, Jung Soo;Kim, Yunjeong;Han, Song-Hee;Jeon, Ji-Young;Hwang, Minho;Im, Yong-Jin;Kim, Jung Hyun;Lee, Sun Young;Chae, Soo-Wan;Kim, Min-Gul
    • Journal of Ginseng Research
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    • v.37 no.1
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    • pp.135-141
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    • 2013
  • A rapid, sensitive and selective analytical method was developed and validated for the determination of compound K, a major intestinal bacterial metabolite of ginsenosides in human plasma. Liquid-liquid extraction was used for sample preparation and analysis, followed by liquid chromatography tandem spectrometric analysis and an electrospray-ionization interface. Compound K was analyzed on a Phenomenex Luna C18 column ($100{\times}2.00$ mm, 3 ${\mu}m$) with the mobile phase run isocratically with 10 mM ammonium acetate-methanol-acetonitrile (5:47.5:47.5, v/v/v) at a flow rate of 0.5 mL/min. The method was validated for accuracy (relative error <12.63%), precision (coefficient of variation <9.14%), linearity, and recovery. The assay was linear over the entire range of calibration standards i.e., a concentration range of 1 ng/mL to 1,000 ng/mL ($r^2$ >0.9968). The recoveries of compound K after liquid-liquid extraction at 1, 2, 400, and 800 ng/mL were $106.00{\pm}0.08%$, $103.50{\pm}0.19%$, $111.45{\pm}5.21%$, and $89.62{\pm}34.46%$ for intra-day and $85.40{\pm}0.08%$, $94.50{\pm}0.09%$, $112.50{\pm}5.21%$, and $95.87{\pm}34.46%$ for inter-day, respectively. The lower limit of quantification of the analytical method of compound K was 1 ng/mL in human plasma. The developed method was successfully applied to a pharmacokinetic study of compound K after oral administration in ten of healthy human subjects.

A Quantitative Study for Hydrothermal Alteration Zones using Short Wavelength Infrared Spectrometry (단파장적외선 분광분석법을 이용한 열수변질대 정량화 연구)

  • Kim, Yong-Hwi;Choi, Seon-Gyu;Ko, Kwang-Beom;Han, Kyeong-Soo;Koo, Min-Ho
    • Economic and Environmental Geology
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    • v.50 no.1
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    • pp.15-26
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    • 2017
  • Advanced argillic, argillic, and phyllic zones are the most important alteration patterns to predict the hidden ore body during exploration of hydrothermal deposits. We examined the quantitative relationship between the spectral absorption characteristics and the mineral content of the synthetic mixtures such as alunite-kaolinite and illite-kaolinite using short wavelength infrared (SWIR) spectroscopy. In the alunite-kaolinite mixtures, the spectral absorption characteristics of the alunite was highly correlated with the Hull quotient reflectance(0.99) and the kaolinite had the highest correlation with the Gaussian peak(0.92). Illite-kaolinite mixtures are essential for Gaussian deconvolution because of the overlap of absorption region. Illite and kaolinite mixtures indicate the high correlation of 0.93 and 0.98, respectively. The error ranges in the alunite-kaolinite(8%) and illite-kaolinite mixtures(5%) derived from SWIR were smaller than the ones(29% and 26%) obtained from X-ray diffraction(Rietveld) analysis. These results show that SWIR spectroscopic analysis is more reliable than XRD Rietveld analysis in terms of quantification of allowed minerals.

The Likert Scale Attention Points Applied to Research on Attitude and Interests on Science Education (과학교육의 태도와 흥미 연구에서 리커트 척도 활용의 유의점)

  • Park, HyunAe;Bae, Sungwoo;Park, Jongseok
    • Journal of The Korean Association For Science Education
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    • v.34 no.4
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    • pp.385-391
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    • 2014
  • We use a scale mainly for quantification when we study the psychological characteristics that we cannot observe. The utilization of a scale is frequent in scientific educational studies. The convenience offered by Likert scale, which is among the most frequently used, enable us to grasp characteristic attitude or recognition in students, and evaluate them against an affective domain. But a lot of errors occur, and has been noted as well in the case of utilizing Likert scale in the process. A central tendency in the utilization of Likert scale appears in this study, and the trend analyzes according to study objects and study contents, but we intend to find a way to utilize Likert scale. The results of study made on our countryside students show that the answers tend to get concentrated and a central tendency appears. Our countryside students were aware of the eyes surroundings them, have respect for elders through social experiences, and have had troubles with differentiated expression or personality in the group and cultural environments. According to the object of study, the central tendency appears more among older students than younger students, more among general students than gifted students. In the contents of study, the central tendency has been given more appearance in scope and their exposure has relatively been in large domain. Therefore when utilizing Likert scale in scientific education study, an error of central tendency appears as if they are results of the study. So, when applying the Likert scale to scientific study, we need to consider sociocultural environment, characteristics of an object and contexts of study. This enables avoiding dependence on numerical value of the utilization results, and interpret them correctly.

A Study on Liquified Petroleum Gas(LPG) Fuel Quantitative Method using Coriolis Mass Flowmeter (코리올리 질량유량계를 이용한 액화석유가스(LPG) 정량 측정 방법 연구)

  • Park, Tae-Seong;Seong, Sang-Rae;Yim, Eui-Soon;Lee, Joung-Min;Lee, Myung-Sig;Kang, Hyung-Kyu
    • Journal of the Korean Institute of Gas
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    • v.22 no.6
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    • pp.109-122
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    • 2018
  • Domestic LPG meters are being tested for LPG quantification in accordance with the "Measures Act". The LPG meter is re-tested every three years in accordance with the "Enforcement Decree of the Measures Act". The maximum permissible error within the test is within ${\pm}1.0%$, and the tolerance is within ${\pm}1.5%$. For the quantitative measurement of LPG, a hydrometer for LPG, a balance, and a pressure vessel are used. The volume of LPG varies in depending on the temperature and pressure. The current quantitative measurement method of LPG requires the measurement of temperature, pressure and density in order to determine the volume of LPG, respectively, and some equipments are needed accordingly. Coriolis mass flowmeter, on the other hand, measure the mass flow, density and temperature at the same time, and can be converted and calculated to the required values using a computer program, also it is widely applied in the industrial field. In this study, the volume of LPG was measured using a Coriolis mass flowmeter as a basic study of LPG quantitative measurement. In addition, it is shown that it is possible to apply for the LPG quantitative measurement using the Coriolis mass flowmeter by comparing it with the conventional LPG quantitative measurement method.

Predictive Modeling for the Growth of Salmonella Enterica Serovar Typhimurium on Lettuce Washed with Combined Chlorine and Ultrasound During Storage

  • Park, Shin Young;Zhang, Cheng Yi;Ha, Sang-Do
    • Journal of Food Hygiene and Safety
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    • v.34 no.4
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    • pp.374-379
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    • 2019
  • This study developed predictive growth models of Salmonella enterica Serovar Typhimurium on lettuce washed with chlorine (100~300 ppm) and ultrasound (US, 37 kHz, 380 W) treatment and stored at different temperatures ($10{\sim}25^{\circ}C$) using a polynomial equation. The primary model of specific growth rate (SGR) and lag time (LT) showed a good fit ($R^2{\geq}0.92$) with a Gompertz equation. A secondary model was obtained using a quadratic polynomial equation. The appropriateness of the secondary SGR and LT model was verified by coefficient of determination ($R^2=0.98{\sim}0.99$ for internal validation, 0.97~0.98 for external validation), mean square error (MSE=-0.0071~0.0057 for internal validation, -0.0118~0.0176 for external validation), bias factor ($B_f=0.9918{\sim}1.0066$ for internal validation, 0.9865~1.0205 for external validation), and accuracy factor ($A_f=0.9935{\sim}1.0082$ for internal validation, 0.9799~1.0137 for external validation). The newly developed models for S. Typhimurium could be incorporated into a tertiary modeling program to predict the growth of S. Typhimurium as a function of combined chlorine and US during the storage. These new models may also be useful to predict potential S. Typhimurium growth on lettuce, which is important for food safety purposes during the overall supply chain of lettuce from farm to table. Finally, the models may offer reliable and useful information of growth kinetics for the quantification microbial risk assessment of S. Typhimurium on washed lettuce.

Quantitative analysis of glycerol concentration in red wine using Fourier transform infrared spectroscopy and chemometrics analysis

  • Joshi, Rahul;Joshi, Ritu;Amanah, Hanim Zuhrotul;Faqeerzada, Mohammad Akbar;Jayapal, Praveen Kumar;Kim, Geonwoo;Baek, Insuck;Park, Eun-Sung;Masithoh, Rudiati Evi;Cho, Byoung-Kwan
    • Korean Journal of Agricultural Science
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    • v.48 no.2
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    • pp.299-310
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    • 2021
  • Glycerol is a non-volatile compound with no aromatic properties that contributes significantly to the quality of wine by providing sweetness and richness of taste. In addition, it is also the third most significant byproduct of alcoholic fermentation in terms of quantity after ethanol and carbon dioxide. In this study, Fourier transform infrared (FT-IR) spectroscopy was employed as a fast non-destructive method in conjugation with multivariate regression analysis to build a model for the quantitative analysis of glycerol concentration in wine samples. The samples were prepared by using three varieties of red wine samples (i.e., Shiraz, Merlot, and Barbaresco) that were adulterated with glycerol in concentration ranges from 0.1 to 15% (v·v-1), and subjected to analysis together with pure wine samples. A net analyte signal (NAS)-based methodology, called hybrid linear analysis in the literature (HLA/GO), was applied for predicting glycerol concentrations in the collected FT-IR spectral data. Calibration and validation sets were designed to evaluate the performance of the multivariate method. The obtained results exhibited a high coefficient of determination (R2) of 0.987 and a low root mean square error (RMSE) of 0.563% for the calibration set, and a R2 of 0.984 and a RMSE of 0.626% for the validation set. Further, the model was validated in terms of sensitivity, selectivity, and limits of detection and quantification, and the results confirmed that this model can be used in most applications, as well as for quality assurance.

Regression model for the preparation of calibration curve in the quantitative LC-MS/MS analysis of urinary methamphetamine, amphetamine and 11-nor-Δ9-tetrahydrocannabinol-9-carboxylic acid using R (소변 중 메트암페타민, 암페타민 및 대마 대사체 LC-MS/MS 정량분석에서 검량선 작성을 위한 R을 활용한 회귀모델 선택)

  • Kim, Jin Young;Shin, Dong Won
    • Analytical Science and Technology
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    • v.34 no.6
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    • pp.241-250
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    • 2021
  • Calibration curves are essential in quantitative methods and for improving the accuracy of analyte measurements in biological samples. In this study, a statistical analysis model built in the R language (The R Foundation for Statistical Computing) was used to identify a set of weighting factors and regression models based on a stepwise selection criteria. An LC-MS/MS method was used to detect the presence of urinary methamphetamine, amphetamine, and 11-nor-9-carboxy-Δ9 -tetrahydrocannabinol in a sample set. Weighting factors for the calibration curves were derived by calculating the heteroscedasticity of the measurements, where the presence of heteroscedasticity was determined via variance tests. The optimal regression model and weighting factor were chosen according to the sum of the absolute percentage relative error. Subsequently, the order of the regression model was calculated using a partial variance test. The proposed statistical analysis tool facilitated selection of the optimal calibration model and detection of methamphetamine, amphetamine, and 11-nor-9-carboxy-Δ9-tetrahydrocannabinol in urine. Thus, this study for the selection of weighting and the use of a complex regression equation may provide insights for linear and quadratic regressions in analytical and bioanalytical measurements.

Accuracy of posteroanterior cephalogram landmarks and measurements identification using a cascaded convolutional neural network algorithm: A multicenter study

  • Sung-Hoon Han;Jisup Lim;Jun-Sik Kim;Jin-Hyoung Cho;Mihee Hong;Minji Kim;Su-Jung Kim;Yoon-Ji Kim;Young Ho Kim;Sung-Hoon Lim;Sang Jin Sung;Kyung-Hwa Kang;Seung-Hak Baek;Sung-Kwon Choi;Namkug Kim
    • The korean journal of orthodontics
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    • v.54 no.1
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    • pp.48-58
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    • 2024
  • Objective: To quantify the effects of midline-related landmark identification on midline deviation measurements in posteroanterior (PA) cephalograms using a cascaded convolutional neural network (CNN). Methods: A total of 2,903 PA cephalogram images obtained from 9 university hospitals were divided into training, internal validation, and test sets (n = 2,150, 376, and 377). As the gold standard, 2 orthodontic professors marked the bilateral landmarks, including the frontozygomatic suture point and latero-orbitale (LO), and the midline landmarks, including the crista galli, anterior nasal spine (ANS), upper dental midpoint (UDM), lower dental midpoint (LDM), and menton (Me). For the test, Examiner-1 and Examiner-2 (3-year and 1-year orthodontic residents) and the Cascaded-CNN models marked the landmarks. After point-to-point errors of landmark identification, the successful detection rate (SDR) and distance and direction of the midline landmark deviation from the midsagittal line (ANS-mid, UDM-mid, LDM-mid, and Me-mid) were measured, and statistical analysis was performed. Results: The cascaded-CNN algorithm showed a clinically acceptable level of point-to-point error (1.26 mm vs. 1.57 mm in Examiner-1 and 1.75 mm in Examiner-2). The average SDR within the 2 mm range was 83.2%, with high accuracy at the LO (right, 96.9%; left, 97.1%), and UDM (96.9%). The absolute measurement errors were less than 1 mm for ANS-mid, UDM-mid, and LDM-mid compared with the gold standard. Conclusions: The cascaded-CNN model may be considered an effective tool for the auto-identification of midline landmarks and quantification of midline deviation in PA cephalograms of adult patients, regardless of variations in the image acquisition method.