• Title/Summary/Keyword: Near infrared (NIR) spectroscopy

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근적외 분광분석법을 이용한 황색종 잎담배의 화학성분 분석

  • 김용옥;이경구;장기철;김기환
    • Journal of the Korean Society of Tobacco Science
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    • v.20 no.2
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    • pp.183-190
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    • 1998
  • This study was conducted to analyze chemical components in flue-cured tobacco using near infrared spectroscopy(NIRS). Samples were collected in '96 and '97 crop year and were scanned in the wavelengths of 400 ~ 2500 nm by near infrared analyzer(NIRSystem Co., Model 6500). Calibration equations were developed and then analyzed flue-cured samples by NIRS. The standard error of calibration(SEC) and performance (SEP) of '96 crop year samples between NIRS and standard laboratory analysis(SLA) were 0.18% and 0.24% for nicotine, 1.60% and 1.77% for total sugar, 0.13% and 0.15% for total nitrogen, 0.58% and 0.68% for crude ash, 0.23% and 0.28% for ether extracts, and 0.09% and 0.08% for chlorine, respectively. The coefficient of determination($R^2$) of calibration and prediction samples between NIRS and SLA of '96 crop year samples was 0.94~0.99 and 0.83~0.97 depending on chemical components, respectively. The SEC and SEP of '97 crop year samples were similar to those of '96 crop year samples. The SEP of '97 crop year samples which were analyzed using '96 calibration equation was 0.32 % for nicotine, 2.72% for total sugar, 0.14 % for total nitrogen, 1.00 % for crude ash, 0.48 for ether extracts and 0.17% for chlorine, respectively. The prediction result was more accurate when calibration and prediction samples were produced in the same crop year than those of the different crop year. The SEP of '96 and '97 crop year samples using calibration equation which was developed '96 plus '97 crop year samples was similar to that of '96 crop year samples using 96 calibration equation and that of '97 crop year samples using '97 calibration equation, respectively. The SEP of '97 crop year samples using calibration equation which was developed '96 plus '97 crop year samples was lower than that of '97 crop year samples analyzed by '96 calibration equation. To improve the analytical inaccuracy caused by the difference of crop year between calibration and prediction samples, we need to include the prediction sample spectra which are different from calibration sample spectra in recalibration sample spectra, and then develop recalibration equation. Although the analytical result using NIR is not as good as SLA, the chemical component analysis using NIR can apply to tobacco leaves, leaf process or tobacco manufacturing process which demand the rapid analytical result.

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BEEF MEAT TRACEABILITY. CAN NIRS COULD HELP\ulcorner

  • Cozzolino, D.
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1246-1246
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    • 2001
  • The quality of meat is highly variable in many properties. This variability originates from both animal production and meat processing. At the pre-slaughter stage, animal factors such as breed, sex, age contribute to this variability. Environmental factors include feeding, rearing, transport and conditions just before slaughter (Hildrum et al., 1995). Meat can be presented in a variety of forms, each offering different opportunities for adulteration and contamination. This has imposed great pressure on the food manufacturing industry to guarantee the safety of meat. Tissue and muscle speciation of flesh foods, as well as speciation of animal derived by-products fed to all classes of domestic animals, are now perhaps the most important uncertainty which the food industry must resolve to allay consumer concern. Recently, there is a demand for rapid and low cost methods of direct quality measurements in both food and food ingredients (including high performance liquid chromatography (HPLC), thin layer chromatography (TLC), enzymatic and inmunological tests (e.g. ELISA test) and physical tests) to establish their authenticity and hence guarantee the quality of products manufactured for consumers (Holland et al., 1998). The use of Near Infrared Reflectance Spectroscopy (NIRS) for the rapid, precise and non-destructive analysis of a wide range of organic materials has been comprehensively documented (Osborne et at., 1993). Most of the established methods have involved the development of NIRS calibrations for the quantitative prediction of composition in meat (Ben-Gera and Norris, 1968; Lanza, 1983; Clark and Short, 1994). This was a rational strategy to pursue during the initial stages of its application, given the type of equipment available, the state of development of the emerging discipline of chemometrics and the overwhelming commercial interest in solving such problems (Downey, 1994). One of the advantages of NIRS technology is not only to assess chemical structures through the analysis of the molecular bonds in the near infrared spectrum, but also to build an optical model characteristic of the sample which behaves like the “finger print” of the sample. This opens the possibility of using spectra to determine complex attributes of organic structures, which are related to molecular chromophores, organoleptic scores and sensory characteristics (Hildrum et al., 1994, 1995; Park et al., 1998). In addition, the application of statistical packages like principal component or discriminant analysis provides the possibility to understand the optical properties of the sample and make a classification without the chemical information. The objectives of this present work were: (1) to examine two methods of sample presentation to the instrument (intact and minced) and (2) to explore the use of principal component analysis (PCA) and Soft Independent Modelling of class Analogy (SIMCA) to classify muscles by quality attributes. Seventy-eight (n: 78) beef muscles (m. longissimus dorsi) from Hereford breed of cattle were used. The samples were scanned in a NIRS monochromator instrument (NIR Systems 6500, Silver Spring, MD, USA) in reflectance mode (log 1/R). Both intact and minced presentation to the instrument were explored. Qualitative analysis of optical information through PCA and SIMCA analysis showed differences in muscles resulting from two different feeding systems.

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Applications of Discrete Wavelet Analysis for Predicting Internal Quality of Cherry Tomatoes using VIS/NIR Spectroscopy

  • Kim, Ghiseok;Kim, Dae-Yong;Kim, Geon Hee;Cho, Byoung-Kwan
    • Journal of Biosystems Engineering
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    • v.38 no.1
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    • pp.48-54
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    • 2013
  • Purpose: This study evaluated the feasibility of using a discrete wavelet transform (DWT) method as a preprocessing tool for visible/near-infrared spectroscopy (VIS/NIRS) with a spectroscopic transmittance dataset for predicting the internal quality of cherry tomatoes. Methods: VIS/NIRS was used to acquire transmittance spectrum data, to which a DWT was applied to generate new variables in the wavelet domain, which replaced the original spectral signal for subsequent partial least squares (PLS) regression analysis and prediction modeling. The DWT concept and its importance are described with emphasis on the properties that make the DWT a suitable transform for analyzing spectroscopic data. Results: The $R^2$ values and root mean squared errors (RMSEs) of calibration and prediction models for the firmness, sugar content, and titratable acidity of cherry tomatoes obtained by applying the DWT to a PLS regression with a set of spectra showed more enhanced results than those of each model obtained from raw data and mean normalization preprocessing through PLS regression. Conclusions: The developed DWT-incorporated PLS models using the db5 wavelet base and selected approximation coefficients indicate their feasibility as good preprocessing tools by improving the prediction of firmness and titratable acidity for cherry tomatoes with respect to $R^2$ values and RMSEs.

Generalized Two-dimensional (2D) Correlation Spectroscopy: Principle and Its Applications (일반화된 이차원 상관 분광학: 원리 및 응용)

  • Young Mee Jung;Seung Bin Kim
    • Journal of the Korean Chemical Society
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    • v.47 no.5
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    • pp.447-459
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    • 2003
  • Generalized 2D correlation spectroscopy has been applied extensively to the analysis of spectral data sets obtained during the observation of a system under some external perturbation. It is used in various fields of spectroscopy including IR, Raman, UV, fluorescence, X-ray diffraction, and X-ray absorption spectroscopy (XAS) as well as chromatography. 2D hetero-spectral correlation analysis compares two completely different types of spectra obtained for a system under the same perturbation. Because of the wide range of applications of this technique, it has become one of the standard analytical techniques for the analytical chemistry, physical chemistry, biochemistry, and so on, and for studies of polymers, biomolecules, nanomaterials, etc. In this paper, we will introduce the principle of generalized 2D correlation spectroscopy and its applications that we have studied.

Near-infrared Spectroscopy of Iron Knots in Cassiopeia A Supernova Remnant

  • Lee, Yong-Hyun;Koo, Bon-Chul;Moon, Dae-Sik
    • The Bulletin of The Korean Astronomical Society
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    • v.35 no.2
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    • pp.68.1-68.1
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    • 2010
  • Cassiopeia A supernova remnant is a young (~330 yr) remnant of Type IIb SN explosion with a massive progenitor. It shows two distinct optical knots; fast moving ejecta knots (FMKs) and quasi stationary circumstellar knots (QSFs). These knots offer an unique opportunity to explore the details of the explosion and also the end state evolution of the Type IIb SN progenitor. We have obtained NIR long-slit (30") spectra of 7 positions around the bright rim of Cas A in [Fe II] 1.644 micron using Triplespec which is a cross-dispersed near-infrared spectrograph that provides continuous wavelength coverage from 0.95-2.46um at intermediate resolution of 2700. Most of the FMKs show strong sulfur, silicon, and iron forbidden lines but no hydrogen or helium lines. The QSFs, on the other hand, show a much richer spectrum with strong hydrogen, helium, and iron lines, but no sulfur and silicon lines. We measure their fluxes and radial velocities, and derive their physical parameters such as electron density and temperature. We also measure the proper motion of these knots from two [Fe II] 1.644 micron images obtained at 3-year interval. We analyze the physical properties of these knots and discuss the evolution and explosion of the progenitor of Cas A.

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Near-infrared studies of iron knots in Cassiopeia A supernova remnant: I. Spectral classification using principal component analysis

  • Lee, Yong-Hyun;Koo, Bon-Chul;Moon, Dae-Sik;Burton, Michael G.
    • The Bulletin of The Korean Astronomical Society
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    • v.38 no.1
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    • pp.49.1-49.1
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    • 2013
  • We have been carrying out near-infrared (NIR) spectroscopy as well as [Fe II] narrow band imaging observations of Cassiopeia A supernova remnant (SNR). In this presentation, we describe the spectral classification of the iron knots around the SNR. From eight long-slit spectroscopic observations for the iron-bright shell, we identified a total of 61 iron knots making use of a clump-finding algorithm, and performed principal component analysis in an attempt to spectrally classify the iron knots. Three major components have emerged from the analysis; (1) Iron-rich, (2) Helium-rich, and (3) Sulfur-rich groups. The Helium-rich knots have low radial velocities (${\mid}v_r{\mid}$ < 100 km/s) and radiate strong He I and [Fe II] lines, that match well with Quasi-Stationary Flocculi (QSFs) of circumstellar medium, while the Sulfur-rich knots show strong lines of oxygen burning materials with large radial velocity up to +2000 km/s, which imply that they are supernova ejecta (i.e. Fast-Moving Knots). The Iron-rich knots have intermediate characteristics; large velocity with QSF-like spectra. We suggest that the Iron-rich knots are missing "pure" iron materials ejected from the inner most region of the progenitor and now encountering the reverse shock.

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MATURE INSTRUMENT, IMMATURE TECHNOLOGY : IS NIR ANALYSIS OF HIGH MOISTURE MATERIALS A SERIOUS PROPOSITION\ulcorner

  • Berding, Nils
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.3124-3124
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    • 2001
  • The development and evolution of near infra-red spectroscopic (NIS) calibrations for high-moisture materials is an expensive proposition. Such investment is suspect unless the instrument, or instruments, on which calibrations were developed can be preserved intact or re-standardized as component replacements occurs. The objective of this paper is to detail the changes in performance of a six-year old instrument after maintenance in years five and six resulted in collection of spectral data that was increasingly removed from the calibration population. Calibrations for the analysis of mature sugarcane stalks, a high-moisture material, were developed successfully in 1995 using a broad sample population in terms of genetics, and spectral and temporal variation. The spectral library was further broadened in 1996. In 1997, 1999, 1999, and 2000, additional samples constituting 10% of the laboratories throughput were subjected to full component analyses using routine laboratory techniques. These samples were primarily random samples, but were complemented with samples that were significant for the spectral H statistic or for the component t statistic. In 1998, an additional calibration was developed for populations consisting of samples of either mature stalks (culms) or sucker culms. Substantial additional samples numbers were collected for this calibration in 1999 and 2000. Attempts to standardize the scanning spectrophotometer used for these calibrations with a second similar instrument in 1999 failed because the instruments were optically different, and standardization could not account for this. Maintenance adjustments were made to the remote reflectance probe of the original instrument in 1999, and replacement of its PbS detectors was done in 2000. Spectral data collected in 1999 and 2000 yielded spectral populations that were increasingly removed from the respective spectral populations on which the calibrations were developed. The mature stalk calibrations benefited marginally from evolutionary calib.

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In-line Monitoring of Fluid-Bed Blending Process for Pharmaceutical Powders using Fiber Optics Probe and NIR Spectroscopy (광섬유-탐침과 근적외선(NIR) 분광기를 이용한 약제분말 유동층 혼합공정의 인라인 모니터링 연구)

  • Park, Cho-Rong;Kim, Ah-Young;Lee, Min-Jeong;Lee, Hea-Eun;Seo, Da-Young;Shin, Sang-Mun;Choi, Yong-Sun;Kwon, Byung-Soo;Bang, Kyu-Ho;Kang, Ho-Kyung;Kim, Chong-Kook;Lee, Sang-Kil;Choi, Guang-Jin
    • Journal of Pharmaceutical Investigation
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    • v.39 no.1
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    • pp.29-36
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    • 2009
  • Since the quality of final products is significantly affected by the homogeneity of powder mixture, the powder blending process has been regarded as one of the critical pharmaceutical unit processes, especially for solid dosage forms. Accordingly, the monitoring to determine a blending process' end-point based on a faster and more accurate in-line/on-line analysis has attracted enormous attentions recently. Among various analytical tools, NIR (near-infrared) spectroscopy has been extensively studied for PAT (process analytical technology) system due to its many advantages. In this study, NIR spectroscopy was employed with an optical fiber probe for the in-line monitoring of fluid-bed blending process. The position of the probe, the ratio of binary powder mixture, the powder size differential and the back-flush period of the shaking bag were examined as principal process parameters. During the blending process of lactose and mannitol powders, NIR spectra were collected, corrected, calibrated and analyzed using MSC and PLS method, respectively. The probe position was optimized. A reasonable end-point was predicted as 1,500 seconds based on 5% RSD value. As a consequence, it was demonstrated that the blending process using a fluid-bed processor has several advantages over other methods, and the application of NIRS with an optical fiber probe as PAT system for a fluid-bed blending process could be high feasible.

Design of Automatic Classification System of Black Plastics Based on Support Vector Machine Using Raman Spectroscopy (라만분광법을 이용한 SVM 기반 흑색 플라스틱 자동 분류 시스템의 설계)

  • Bae, Jong-Soo;Oh, Sung-Kwun;Kim, Hyun-Ki
    • Journal of the Korean Institute of Intelligent Systems
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    • v.26 no.5
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    • pp.416-422
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    • 2016
  • Lots of plastics are widely used in a variety of industrial field. And the amount of plastic waste is massively produced. In the study of waste recycling, it is emerged as an important issue to prevent the waste of potentially useful resource materials as well as to reduce ecological damage. So, the recycling of plastic waste has been currently paid attention to from the view point of reuse. Existing automatic sorting system consist of near infrared ray (NIR) sensors to classify the types of plastics. But the classification of black plastics still remains a challenge. Black plastics which contains carbon black are not almost classified by NIR because of the characteristic of the light absorption of black plastics. This study is focused on handling how to identify black plastics instead of NIR. Raman spectroscopy is used to get qualitative as well as quantitative analysis of black plastics. In order to improve the performance of identification, Support Vector Machine(SVM) classifier and Principal Component Analysis(PCA) are exploited to more preferably classify some kinds of the black plastics, and to analyze the characteristic of each data.

Classification of Convolvulaceae plants using Vis-NIR spectroscopy and machine learning (근적외선 분광법과 머신러닝을 이용한 메꽃과(Convolvulaceae) 식물의 분류)

  • Yong-Ho Lee;Soo-In Sohn;Sun-Hee Hong;Chang-Seok Kim;Chae-Sun Na;In-Soon Kim;Min-Sang Jang;Young-Ju Oh
    • Korean Journal of Environmental Biology
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    • v.39 no.4
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    • pp.581-589
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    • 2021
  • Using visible-near infrared(Vis-NIR) spectra combined with machine learning methods, the feasibility of quick and non-destructive classification of Convolvulaceae species was studied. The main aim of this study is to classify six Convolvulaceae species in the field in different geographical regions of South Korea using a handheld spectrometer. Spectra were taken at 1.5 nm intervals from the adaxial side of the leaves in the Vis-NIR spectral region between 400 and 1,075 nm. The obtained spectra were preprocessed with three different preprocessing methods to find the best preprocessing approach with the highest classification accuracy. Preprocessed spectra of the six Convolvulaceae sp. were provided as input for the machine learning analysis. After cross-validation, the classification accuracy of various combinations of preprocessing and modeling ranged between 43.4% and 98.6%. The combination of Savitzky-Golay and Support vector machine methods showed the highest classification accuracy of 98.6% for the discrimination of Convolvulaceae sp. The growth stage of the plants, different measuring locations, and the scanning position of leaves on the plant were some of the crucial factors that affected the outcomes in this investigation. We conclude that Vis-NIR spectroscopy, coupled with suitable preprocessing and machine learning approaches, can be used in the field to effectively discriminate Convolvulaceae sp. for effective weed monitoring and management.