• 제목/요약/키워드: Spectral calibration

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Prediction of Heavy Metal Content in Compost Using Near-infrared Reflectance Spectroscopy

  • Ko, H.J.;Choi, H.L.;Park, H.S.;Lee, H.W.
    • Asian-Australasian Journal of Animal Sciences
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    • 제17권12호
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    • pp.1736-1740
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    • 2004
  • Since the application of relatively high levels of heavy metals in the compost poses a potential hazard to plants and animals, the content of heavy metals in the compost with animal manure is important to know if it is as a fertilizer. Measurement of heavy metals content in the compost by chemical methods usually requires numerous reagents, skilled labor and expensive analytical equipment. The objective of this study, therefore, was to explore the application of near-infrared reflectance spectroscopy (NIRS), a nondestructive, cost-effective and rapid method, for the prediction of heavy metals contents in compost. One hundred and seventy two diverse compost samples were collected from forty-seven compost facilities located along the Han river in Korea, and were analyzed for Cr, As, Cd, Cu, Zn and Pb levels using inductively coupled plasma spectrometry. The samples were scanned using a Foss NIRSystem Model 6500 scanning monochromator from 400 to 2,500 nm at 2 nm intervals. The modified partial least squares (MPLS), the partial least squares (PLS) and the principal component regression (PCR) analysis were applied to develop the most reliable calibration model, between the NIR spectral data and the sample sets for calibration. The best fit calibration model for measurement of heavy metals content in compost, MPLS, was used to validate calibration equations with a similar sample set (n=30). Coefficient of simple correlation (r) and standard error of prediction (SEP) were Cr (0.82, 3.13 ppm), As (0.71, 3.74 ppm), Cd (0.76, 0.26 ppm), Cu (0.88, 26.47 ppm), Zn (0.84, 52.84 ppm) and Pb (0.60, 2.85 ppm), respectively. This study showed that NIRS is a feasible analytical method for prediction of heavy metals contents in compost.

다변량 분석법을 이용한 Tryptophan과 Tyrosine의 형광분광법적 정량 (Simultaneous Determination of Tryptophan and Tyrosine by Spectrofluorimetry Using Multivariate Calibration Method)

  • 이상학;박주은;손범목
    • 대한화학회지
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    • 제46권4호
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    • pp.309-317
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    • 2002
  • 형광분광법에 의하여 주성분 회귀분석(principal component regression, PCR)과 부분 최소자승법(Partial least squares, PLS)을 이용하여 아미노산(Tryptophan and Tyrosine)을 동시에 정량하는 방법에 대하여 연구하였다. 아미노산 혼합물의 형광 스펙트럼은 들뜸파장을257nm로 고정하여 측정하였다. 두 가지 아미노산이 서로 다른 농도로 혼합되어 있는 32개의 시료용액을 280nm∼500nm 범위에서 스펙트럼들을 얻었고 이를 이용하여 PCR과 PLS회귀모델을 얻었다. 두 가지 아미노산이 서로 다른 농도로 포함된 6개의 외부검정용 시료들의 스펙트럼들을 이용해서 회귀모델의 적합성을 검정하기 위하여 외부검정용 시료의 농도를 계산하였다. 계산된 농도를 이용하여 relative standard error of prediction($RSEP_a$)를 얻었고 같은 방법으로 overall relative standard error of prediction($RSEP_m$) 도 구하였다

다변량 분석법에 의한 Anionic Surfactant와 Nonionic Surfactant의 동시정량 (Simultaneous Determination of Anionic and Nonionic Surfactants Using Multivariate Calibration Method)

  • 이상학;권순남;손범목
    • 대한화학회지
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    • 제47권1호
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    • pp.19-25
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    • 2003
  • 흡수 분광법에 의해 얻은 스펙트럼을 주성분분석(principal analysis, PCA) 으로 자료를 요약하여 주성분 회귀분서(principal component regression, PCR)과 부분 최소자승법(partial least squares, PLS)으로 음이온과 비이온 계면활성제(anionic and nonionic surfactant)를 동시에 정량하는 방법에 대하여 연구하였다. 두 가지 계면활성제가 서로 다른 농도로 혼합되어 있는 26개의 시료용액을 400~700 nm 범위에서 스펙트럼을 얻었고, 이를 이용하여 PCR과 PLS회귀모델을 얻었다. 두 가지 계면활성제가 서로 다른 농도로 포함된 5개의 외부검정용 시료들의 스펙트럼들을 이용해서 회귀모델의 적합성을 검정하기 위하여 외부검정용 시료의 농도를 계산하였다. 계산된 농도를 이용하여 relative standard error of prediction(RSEP$_{\alpha}$)를 구하여 회귀모델의 적합성을 검정하였다.

Simultaneous Determination of Polycyclic Aromatic Hydrocarbons by Near Infrared Spectroscopy using a Partial Least Squares Regression

  • Nam, Jae-Jak;Lee, Sang-Hak;Park, Ju-Eun
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1276-1276
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    • 2001
  • Polycyclic aromatic hydrocarbons(PAHs) are widely distributed in the environment and are often implicated as potential carcinogens. The chromatographic methods of detection and quantitative determination of PAHs in environmental samples are costly, time consuming, and do not account for all kinds of PAHs. This work describes a quantitative spectroscopic method for the analysis of mixtures of eight PAHs using multivariate calibration models for Fourier transform near infrared(FT-NIR) spectral data. The NIR spectra of mixtures of PAHs (anthracene, pyrene, 1,2-benzanthracene, perylene, chrysene, benzo(a)pyrene, 1-methylanthracene and benzo(ghi)perylene) were measured in the wavelength range from 1100 nm to 2500 nm. The spectral data were processed using a partial least squares regression. We have studied the spectral characteristics of NIR spectra of mixtures of PAHs. It was possible to determine each PAM used in this study at the environmental level(mg L-1) in the laboratory samples. Further development may lead to the rapid determination of more PAHs in typical environmental samples.

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FPD용 컬러 필터의 수지 얼룩 결함 형상화에 관한 연구 (A Study on the Visualization of Suzi Mora Defect of FPD Color Filter)

  • 권오민;이정섭;박덕천;주효남;김준식
    • 제어로봇시스템학회논문지
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    • 제15권8호
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    • pp.761-771
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    • 2009
  • Detecting defects on FPD (Flat Panel Display) color filter before the full panel is made is important to reduce the manufacturing cost. Among many types of defects, the low contrast blemish such as Suzi Mura is difficult to detect using standard CCD cameras. Even skilled inspectors in the inspection line can hardly identify such defects using bare eyes. To overcome this difficulty, point spectrometer has been used to analyze the spectrum to differentiate such defects from normal color filters. However, scanning ever increasing-size color filters by a point spectrometer takes too long time to be used in real production line. We propose a system using a spectral camera which can be viewed as a line scan camera composed of an array of point spectrometers. Three types of lighting system that exhibit different illumination spectrums are devised together with a calibration method of the proposed spectral camera system. To visualize the defect areas, various processing algorithms to identify and to enhance the small differences in spectrum between defective and normal areas are developed. Experiments shows 85% successful visualization. of real samples using the proposed system.

Determination of Water Content in Ethanol by Miniaturized Near-Infrared (NIR) System

  • Cho, Soo-Hwa;Chung, Hoe-Il;Woo, Young-Ah;Kim, Hyo-Jin
    • Bulletin of the Korean Chemical Society
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    • 제26권1호
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    • pp.115-118
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    • 2005
  • The miniaturized NIR (Near-infrared) spectrometer has been utilized for the determination of water content (1-19% range) in ethanol that is the most popular organic solvent in pharmaceutical industries. It has many potential capabilities that can replace the conventional analyzers especially for the on-line measurement since it is compact, versatile and cost-effective. By using two dimensional (2D) correlation spectroscopy, it was preliminarily investigated to find any unforeseen spectral distortion among the spectra collected from the miniaturized spectrometer. The 2D study revealed that the spectral variation clearly followed the variation of water concentration without any spectral distortion or abnormality. PLS (Partial Least Squares) was employed to build the calibration model and the resulting prediction performance was acceptable and stable over several days. Even though the miniaturized NIR system was evaluated to fairly simple chemical matrix, the overall study demonstrates the sufficient feasibility for diverse practical and industrial applications.

SOME CHARACTERISTICS OF FIELD STARS

  • Lee, See-Woo;Choe, Seung-Urn
    • 천문학회지
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    • 제21권1호
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    • pp.1-36
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    • 1988
  • The temperature calibration of stars by photometric parameters and spectral type is discussed, using the catalogue data of Cayrel de Strobel et al. (1985) and Morel et al. (1976). The H-R diagrams and the mass-luminosity relation of stars in this catalogue are presented in the [log(L/M)-log $T_e$]-and [$M_{bol}$-log(L/M)]-planes, respectively, discussing the age of main sequence (MS) stars and giant stars. The age-metallicity relation of the nearby stars suggests the initial rapid enrichment of metal abundance.

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Rapid Compositional Analysis of Naphtha by Near-Infrared Spectroscopy

  • 구민식;정호일;이준식
    • Bulletin of the Korean Chemical Society
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    • 제19권11호
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    • pp.1189-1193
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    • 1998
  • The determination of total paraffin, naphthene, and aromatic (PNA) contents in naphtha samples, which were directly obtained from actual refining process, has been studied using near-infrared (NIR) spectroscopy. Each of the total PNA concentrations in naphtha has been successfully analyzed using NIR spectroscopy. Partial least squares (PLS) regression method has been utilized to quantify the total PNA contents in naphtha from the NIR spectral bands. The NIR calibration results showed an excellent correlation with those of conventional gas chromatography (GC). Due to its rapidity and accuracy, NIR spectroscopy is appeared as a new analytical technique which can be substituted for the conventional GC method for the quantitative analysis of petrochemical products including naphtha.

A Rapid Quantitative Assay of Intact Ambroxol Tablets by FT-NIR Spectroscopy

  • Kim, Do-Hyung;Ah, Woo-Young;Kim, Hyo-Jin
    • 대한약학회:학술대회논문집
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    • 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-2
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    • pp.213.2-213.2
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    • 2003
  • A simple analytical procedure using FT-NIR for the rapid determination of individual ingredients was evaluated. Direct measurements were made by reflection using a reflectance accessory, by transmittance using tablet accessory and turn table. FT-NIR spectral data were transformed to the first derivative. Partial Least Square Regression(PLSR) was applied to quantify near-infrared (NIR) spectra of 2 ingredients. These calibration models were cross-validated (leave-one-out approach). The prediction ability of the models was evaluated on ambroxol tablets and compared with the real values in manufacturing procedure. (omitted)

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