• Title/Summary/Keyword: Near infrared spectra

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Self-Modeling Curve Resolution Analysis of On-line Near Infrared Spectra Measured during the Melt-Extrusion Transesterification of Ethylene/Vinylacetate Copolymer

  • Sasic, Slobodan;Kita, Yasuo;Furukawa, Tsuyoshi;Watari, Masahiro;Siesler, Heinz W.;Ozaki, Yukihiro
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1284-1284
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    • 2001
  • The transesterification of molten ethylene/vinylacetate (EVA) copolymers by octanol as a reagent and sodium methoxide as a catalyst in an extruder has been monitored by on-line near infrared (NIR) spectroscopy. A total of 60 NIR spectra were acquired for 37 minutes with the last spectrum recorded 31 minutes after the addition of octanol and catalyst was stopped. The experimental spectra show strong baseline fluctuations which are corrected for by multiplicative scatter correction (MSC). The chemometric methods of orthogonal projection approach (OPA) and multivariate curve resolution (MCR) were used to resolve the spectra and to derive concentration profiles of the species. The detailed analysis reveals the absence of completely pure variables that leads to small errors in the calculation of pure spectra. The initial estimation of a concentration that is necessary as an input parameter for MCR also presents a non-trivial task. We obtained results that were not ideal but applicable for practical concentration control. They enable a fast monitoring of the process in real-time and resolve the spectra of the EVA copolymer and the ethylene/vinyl alcohol (EVAL) copolymer to be very close to the reference spectra. The chemometric methods used and the decomposed spectra are discussed in detail.

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Near Infrared Diffuse Reflectance Spectroscopy to Measure Pulmonary Edema

  • Larry Leonardi;David H.Burns;Luis Openheimer;Rene P.Michel
    • Near Infrared Analysis
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    • v.2 no.1
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    • pp.43-53
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    • 2001
  • A non-invasive spectroscopic method is presented for the measurement of pulmonary edema. Both early diagnosis and quantitative edema estimates were investigated. The spectroscopic determination of pulmonary edema involved the acquisition of diffuse reflectance spectra in the near-infrared (NIR) region with change in water concentration - water is the main constituent of edema fluid. Pulmonary edema was induced into the excised perfused lungs of seven animals by elevating the hydrostatic pressure. Estimates of edema were ascertained from a partial least squares regression of the measured spectral response. Actual edema was determined from the change (increase) in total lung weight. Estimates in relative lung weight increases due to in vitro edema were made with the near infrared spectra. The results revealed that fluid accumulation produced spectral changes in the O-H and C-H absorptions as well as scattering changes in the spectra. Histology of the lung was used to verify the presence or absence of interstitial and alveolar edema. Results demonstrated that near infrared spectroscopy might provide a new tool for clinical assessment of pulmonary edema.

Low Resolution Near-Infrared Stellar Spectra Observed by CIBER

  • Kim, MinGyu;Lee, Hyung Mok
    • The Bulletin of The Korean Astronomical Society
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    • v.41 no.1
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    • pp.76.2-76.2
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    • 2016
  • We present near-infrared (0.8 - 1.8 microns) spectra of 63 bright (J_mag < 10) stars observed with Low Resolution Spectrometer (LRS) onboard the rocket-borne Cosmic Infrared Background Experiment (CIBER). Two Micron All Sky Survey (2MASS) photometry information is used to find cross-matched stars after reduction and extraction of the spectra. We identify the spectral types of observed stars by comparing with spectral templates from the Infrared Telescope Facility (IRTF) library. All the observed spectra are consistent with late F to M stellar spectral types, and we identify various infrared absorption lines. As our observations are performed above the Earth's atmosphere, our spectra are free from telluric contamination. Including HST/NICMOS and Cassini/VIMS, the spectral coverage has rarely been achieved in space, and the methods developed here can inform statistical studies with future low-resolution spectral measurements such as GAIA photometric and radial velocity spectrometer.

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Qualification of various polymorphs by near-infrared(NIR) spectrophotometer.

  • Lim, Hun-Rang;Chang, Soo-Hyun;Woo, Young-Ah;Kim, Hyo-Jin
    • Proceedings of the PSK Conference
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    • 2002.10a
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    • pp.400.2-400.2
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    • 2002
  • Near-infrared(NIR) reflectance spectroscopy was employed to qualify various ploymorphs. We collected 8 potential polymorphs forms of Medicine T for this study. Near-infared spectra of the powder samples contained in glass vials were obtained over the wavelength region of 1100-1750nm. There were the peak around 1560nm in the 6 spectra among 8 spectra. Principal component analysis(PCA) has been performed to examine the qualitative difference of 8 polymorphs PC space. (omitted)

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Nondestructive Classification between Normal and Artificially Aged Corn (Zea mays L.) Seeds Using Near Infrared Spectroscopy

  • Min, Tai-Gi;Kang, Woo-Sik
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.53 no.3
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    • pp.314-319
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    • 2008
  • Near infrared (NIR) spectroscopy was used to classify normal and artificially aged nonviable corn (Zea mays L., cv. 'Suwon19') seeds. The spectra at 1100-2500nm were scanned with normal and artificially aged single seeds and analyzed by principle component analysis (PCA). To discriminate normal seeds from artificially aged seeds, a calibration modeling set was developed with a discriminant partial least square 2 (PLS 2) method. The calibration model derived from PLS 2 resulted in 100% classification accuracy of normal and artificially aged (aged) seeds from the raw, the 1st and 2nd derivative spectra. The prediction accuracy of the unknown normal seeds was 88, 100 and 97% from the raw, the $1^{st}$ and $2^{nd}$ derivative spectra, and that of the unknown aged seeds was 100% from all the raw, the $1^{st}$ and $2^{nd}$ derivative spectra, respectively. The results showed a possibility to separate corn seeds into viable and non-viable using NIR spectroscopy.

Water-Methanol and Water-Acetonitrile Mixture Analysis using NIR Spectral Data and Iterative Target Transform Factor Analysis

  • Na, Dae-Bok;Hur, Yun-Jeong;Park, Young-Joo;Cho, Jung-Hwan
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1289-1289
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    • 2001
  • Water-methanol and water-acetonitrile mixtures are frequently used as HPLC solvent system and strong hydrogen bonding is well-known. But a detailed aspect of water-methanol and/or water-acetonitrile mixtures have not been shown with direct spectral evidence. Recently, near infrared spectroscopy and chemometric data refinery have been successfully combined in many applications. On the basis of factor analytical methods, the spectral features of water-methanol and water-acetonitrile mixtures were studied to reveal the detail of mixtures. Water-methanol and water-acetonitrile mixtures were prepared with varying concentration of each constituent and near infrared spectral data were acquired in the range of 1100-2500nm with 2-nm interval. The data matrices were analysed with ITTFA(Iterative Target Transform Factor Analysis) algorithm implemented as MATLAB codes. As a result, the concentration profiles of water, methanol and water-methanol complex were resolved and the spectra of water-methanol complexes were calculated, which cannot be acquired with pure complexes. A similar result was obtained with NIR spectral data of water-acetonitrile mixtures. Moreover, pure spectra of hydrogen-bonding complexes of water-methanol and water-acetonitrile can be computed, while any other usual physical methods cannot isolated those complexes for acquiring pure component spectra.

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PROPERTIES OF DUST IN EARLY-TYPE GALAXIES BASED ON THE ALL-SKY-SURVEY DATA AND NEAR-INFRARED SPECTRA

  • Mori, T.;Oyabu, S.;Kaneda, H.;Ishihara, D.;Yamagishi, M.
    • Publications of The Korean Astronomical Society
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    • v.27 no.4
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    • pp.263-264
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    • 2012
  • We present the properties of dust and the near-infrared spectral features in nearby early-type galaxies. The properties of dust are obtained from the AKARI far-infrared all-sky survey diffuse map. The AKARI/IRC is used for the near-infrared spectra. We improve spectral data with the new dark subtraction method on the basis of the knowledge acquired in our laboratory experiments of the engineering-model detector for the IRC. We have succeeded in fitting the continuum by a power-law function and detecting CO and SiO absorption features in early-type galaxy spectra. Comparing the properties of dust and near-infrared spectral features, we find that the power-law slope depends on dust temperature, but not on the dust mass, which suggests that low-luminosity AGNs may contribute to the changes in the power-law slope and dust temperature.

Soft Independent Modeling of Class Analogy for Classifying Lumber Species Using Their Near-infrared Spectra

  • Yang, Sang-Yun;Park, Yonggun;Chung, Hyunwoo;Kim, Hyunbin;Park, Se-Yeong;Choi, In-Gyu;Kwon, Ohkyung;Yeo, Hwanmyeong
    • Journal of the Korean Wood Science and Technology
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    • v.47 no.1
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    • pp.101-109
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    • 2019
  • This paper examines the classification of five coniferous species, including larch (Larix kaempferi), red pine (Pinus densiflora), Korean pine (Pinus koraiensis), cedar (Cryptomeria japonica), and cypress (Chamaecyparis obtusa), using near-infrared (NIR) spectra. Fifty lumber samples were collected for each species. After air-drying the lumber, the NIR spectra (wavelength = 780-2500 nm) were acquired on the wide face of the lumber samples. Soft independent modeling of class analogy (SIMCA) was performed to classify the five species using their NIR spectra. Three types of spectra (raw, standard normal variated, and Savitzky-Golay $2^{nd}$ derivative) were used to compare the classification reliability of the SIMCA models. The SIMCA model based on Savitzky-Golay $2^{nd}$ derivatives preprocessing was determined as the best classification model in this study. The accuracy, minimum precision, and minimum recall of the best model (PCA models using Savitzky-Golay $2^{nd}$ derivative preprocessed spectra) were evaluated as 73.00%, 98.54% (Korean pine), and 67.50% (Korean pine), respectively.

Monitoring Kinetics Using Near Infrared Spectra and Two-dimensional Correlation Spectroscopy

  • Berry, R. James;Ozaki, Yukihiro
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1282-1282
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    • 2001
  • Near Infrared (NIR) spectra has long been used in industry to monitor rates of reactions via calculation of analyte concentrations. However, the kinetic information is inherent in the data through spectral ratios. Two-dimensional correlation spectroscopy (2D-COS) is a spectral method that is based on changes (e.g. concentration) in time and is therefore uniquely suited for reaction monitoring. This method is especially useful in the understanding of how the reaction(s) proceeds. We will show the application of 2D-COS to synthetic kinetic data from different reaction orders to illustrate the method. We will then show application to real reactions of various orders. Finally, we will illustrate how 2D-COS will be of specific interest to developing optimized industrial reactions.

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