• Title/Summary/Keyword: Partial least square regression

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Nondestructive Quantification of Intact Ambroxol Tablet using Near-infrared Spectroscopy (근적외분광분석법을 사용한 암브록솔 정제의 비파괴적 정량분석)

  • 임현량;우영아;김도형;김효진;강신정;최현철;최한곤
    • YAKHAK HOEJI
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    • v.48 no.1
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    • pp.60-64
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    • 2004
  • Near-infrared (NIR) spectroscopy was used to determine rapidly and nondestructively the content of ambroxol in intact ambroxol tablets containing 30 mg (12.5% m/m nominal concentration) by collecting NIR spectra in range 1100-1750 nm. The laboratory-made samples had 10.3∼15.9% m/m nominal ambroxol concentration. The measurements were made by reflection using a fiber-optic probe and calibration was carried out by partial least square regression (PLSR) with autoscaling. Model validation was performed by randomly splitting the data set into calibration and validation data set (7 samples as a calibration data set and 5 samples as a validation data set). The developed NIR method gave results comparable to the known values of tablets in a laboratorial manufacturing Process, standard error of calibration (SEC) and standard error of prediction (SEP) being 0.49% and 0.49% m/m respectively. The method showed good accuracy and repeatability NIR spectroscopic determination in intact tablets allowed the potential use of real time monitoring for a running production process.

Quantitative Analysis of Indomethacin by the Portable Near-Infrared (NIR) System (근적외분광분석법을 이용한 인도메타신의 정량분석)

  • 김도형;우영아;김효진
    • 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.

Variable Selection in PLS Regression with Penalty Function (벌점함수를 이용한 부분최소제곱 회귀모형에서의 변수선택)

  • Park, Chong-Sun;Moon, Guy-Jong
    • Communications for Statistical Applications and Methods
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    • v.15 no.4
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    • pp.633-642
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    • 2008
  • Variable selection algorithm for partial least square regression using penalty function is proposed. We use the fact that usual partial least square regression problem can be expressed as a maximization problem with appropriate constraints and we will add penalty function to this maximization problem. Then simulated annealing algorithm can be used in searching for optimal solutions of above maximization problem with penalty functions added. The HARD penalty function would be suggested as the best in several aspects. Illustrations with real and simulated examples are provided.

Non-linear PLS based on non-linear principal component analysis and neural network (비선형 주성분해석과 신경망에 기반한 비선형 PLS)

  • 손정현;정신호;송상옥;윤인섭
    • 제어로봇시스템학회:학술대회논문집
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    • 2000.10a
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    • pp.394-394
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    • 2000
  • This Paper proposes a new nonlinear partial least square method that extends the linear PLS. Proposed nonlinear PLS uses self-organizing feature map as PLS outer relation and multilayer neural network as PLS inner regression method.

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Discrimination of Geographical Origin of Mushroom (Tricholoma matsutake) using Near Infrared Spectroscopy (근적외선 분광광도법을 이용한 송이버섯의 원산지 판별)

  • Lee, Nam-Youn;Bae, Hey-Ree;Noh, Bong-Soo
    • Korean Journal of Food Science and Technology
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    • v.38 no.6
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    • pp.835-837
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    • 2006
  • The geographical origin of Tricholoma matsutake mushrooms was studied using near-infrared spectroscopy. Modified partial least-square regression analyses were used to discriminate geographical origin. Two-hundred fifty-six of 259 actual domestic Tricholoma matsutake were classified as domestic produce, Sixty of 81 actual imported mushrooms were correctly classified as imported, while the other 21 imported from North Korea were not clearly classified. The accuracy of geographical origin discrimination was 92.94% The correlation coefficient, standard error of calibration, and standard error of prediction from modified partial least-square regression analysis were 0.84, 15.10% and 18.30% respectively.

Determination of Rice Milling Ratio by Visible / Near-Infrared Spectroscopy (가시광선 / 근적외선 분광 분석법을 이용한 쌀의 정백수율 측정)

  • 김재민;민봉기;최창현
    • Journal of Biosystems Engineering
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    • v.22 no.3
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    • pp.333-342
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    • 1997
  • The objective of this research was to develop model equations for measuring rice milling ratio by using visible / HIR spectroscopy. Twelve kinds of brown rice(n = 149) were milled to obtain various milling ratio ranged from 86% to 94%. Visible/NIR spectra were collected with a spectrophotometer with sample transport module. The reflectance and transmission spectra were measured in the range of 400~2, 500nm and 600~1, 400nm, respectively, with 2 nm intervals. Multiple linear regression(MLR), Partial least square (PLS), and Artificial neural network(ANN) were used to develop models. Model developed with reflectance spectra showed better prediction results then those with transmission spectra. The MLR model with six-wavelength obtained from first derivative spectra gave to the best results for measuring the rice milling ratio(SEP = 0.535, , $r^2$ = 0.980). The PLS model(SEP = 0.604, $r^2$= 0.976) and ANN model(SEP = 0.566, $r^2$= 0.978) also can be used to determine the rice milling ratio effectively.

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Quantification of Naproxen in Pharmaceutical Formulation using Near-Infrared Spectrometry (근적외 분광분석법을 이용한 나프록센 정제의 정량분석)

  • Kim Do Hyung;Woo Young Ah;Kim Hyo Jin
    • YAKHAK HOEJI
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    • v.49 no.1
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    • pp.1-5
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    • 2005
  • Near-infrared (NIR) spectroscopy has been widely applied in various field, since it is nondestructive and no sample preparation is required. In this paper, NIR spectroscopy was used for the determination of naproxen in a commercial pharmaceutical preparation. NIR spectroscopy was used to determine the content of naproxen in intact naproxen tablets containing 250 mg ($65.8\%$ nominal concentration) by collecting NIR spectra in the range of $1100{\sim}1750nm$. The laboratory-made samples had $46.1{\sim}85.5\%$ nominal naproxen concentration. The measurements were made by reflection using a fiber-optic probe and calibration was carried out by partial least square regression (PLSR). Model validation was performed by randomly splitting the data set into calibration and validation data set (63 samples as a calibration data set and 42 samples as a validation data set). The developed NIR calibration gave results comparable to the known values of tablets in a laboratorial manufacturing process with standard error of calibration (SEC) and standard error of prediction (SEP) of $1.06\%\;and\;1.04\%$, respectively. The NIR method showed good accuracy and repeatability. NIR spectroscopic determination in intact tablets allowed the potential use of real time monitoring for a running production process.

Proposing Directions for Urban Design to Improve the Inclusiveness of the Port Hinterland

  • Ah, Hwang Sun
    • Journal of Navigation and Port Research
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    • v.45 no.2
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    • pp.42-53
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    • 2021
  • The port space can be considered to be the space in which the characteristics of the port city are best expressed. Also, since it acts as a representative gateway along with the airport, it can have a direct impact on the image of the region and country. However, the harbor hinterland has been a refuge during the war in the past, and it has been concentrating on development related to the port industry; hence, it has a poorer residential environment. Therefore, in this study, in order to ensure equal development in space and equal access to basic urban services, urban design directions were suggested for the harbor hinterland based on the concept of an inclusive city'. To this end, through factor analysis, urban planning elements that can be applied to urban design were derived, and through PLS(Partial Least Square)regression analysis, based on the opinions of residents and experts, urban design directions for the port hinterland were presented. The study site was Gamcheon Port, one of the Busan Ports in Korea, the hinterland of Gamcheon Port was a high slope, and the residential environment was relatively poor due to the dense concentration of older residential areas.

A Study on the Heterogeneity of Leisure Travel Time between Elderly and Non Elderly People - Focusing on urban and rural areas in south Chungcheong province - (고령자와 비고령자의 여가통행시간 이질성 연구 - 충남 도시권과 농어촌권을 중심으로 -)

  • Kim, Wonchul
    • The Journal of The Korea Institute of Intelligent Transport Systems
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    • v.12 no.5
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    • pp.87-97
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    • 2013
  • This study tried to explore the quantitative travel heterogeneity between elderly and non elderly people, focusing on urban and rural areas in south Chungcheong province. For the analysis, a PLS(Partial least square) model is applied with economic and traffic environment characteristics of the urban and rural areas. The characteristics of elderly and non elderly people in the urban and rural areas are derived from the 2011 person trip survey. As a result, the study found out that the key factors affect on elderly people in the urban and rural areas are bus operation interval, number of bus operation routes, number of household member, and a monthly average income of household. In case of non elderly people, areas economic factors such as GRDP, the rate of economic activity, and employment status as well as those of elderly people. Meanwhile, female elderly people in rural area have more sensitivity compared to male elderly people and the gender heterogeneity is not revealed in non elderly people.