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

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Structure of Water-Methanol Mixtures Studied by NIR Spectroscopy

  • Adachi, Daisuke;Katsumoto, Yukiteru;Sato, Harumi;Ozaki, Yukihiro
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1283-1283
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    • 2001
  • NIR spectroscopy has been used extensively to investigate the structure of water, alcohol and other self-associate molecules because the frequencies of NIR bands due to OH and NH groups strength of hydrogen bonds. We have studied the structure of water -methanol mixtures by use of NIR spectroscopy. Strong features in the 7200-6300 $cm^{-1}$ / region consist of a number of overlapped bands due to the combination of OH antisymmetric and symmetric stretching modes of water and the first overtone of the OH stretching modes of free and hydrogen bonded methanol, while weak fratures in the 6000-5800 cm-1 region are ascribed to the first overtones of $CH_3$ stretching modes of methanol. We will focus the discussion on the $CH_3$ stretching bands. They seem to show a significant shift is not clear from the spectra shown in figure 1(a). Figure 1(b) depicts the second derivative in the 6000-5700 $cm^{-1}$ / region. Now, it is clear from the second derivative that there are two major bands near 5950 and 5900 $cm^{-1}$ / and that they do show a shift be about 30 $cm^{-1}$ / Why do the $CH_3$ bands show the shift with increasing concentration of methanol\ulcorner Probably, the CH, group interacts directly with OH groups of water. The results in figure 1(b) demonstrate the usefulness of the second derivative in resolution enhancement as well as the potential of NIR spectroscopy in the studies of molecular interactions.(Figure omitted).

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VIBRATIONAL SPECTROSCOPY IN INDUSTRIAL CHEMICAL QUALITY CONTROL

  • Siesler, H.W.
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1081-1081
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    • 2001
  • The constant need for quality improvement and production rationalization in the chemical and related industries has led to the increasing replacement of conservative control procedures by more specific and environmentally compatible analytical techniques. In this respect, vibrational spectroscopy has developed over the last yews - in combination with new instrumental accessories and statistical evaluation procedures - to one of the most important analytical tools for industrial chemical quality control and process monitoring in a wide field of applications. In the present communication this potential is demonstrated in order to further support the implementation of mid-infrared (MIR), near-infrared (NIR) and Raman spectroscopy Primarily as industrial on-line tools. To this end the data of selected feasibility studies will be discussed in terms of the individual strengths of the different techniques for the respective application.

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MEASUREMENT OF THE CONCENTRATIONS OF RAW MATERIAL, SOYA OIL, AND PRODUCT, MANNOSYL ERYTHRITOL LIPID, IN THE FERMENTATION PROCESS USING NEAR-INFRARED SPECTROSCOPY

  • Kazuhiro Nakamichi;Suehara, Ken-Ichiro;Yasuhisa Nakano;Koji Kakugawa;Masahiro Tamai;Takuo Yano
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1157-1157
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    • 2001
  • Yeast, Kurtzurnanomyces sp. I-11, produces biosurfactant, mannosyl erythritol lipid (MEL), from soya oil. The properties of biosurfactant MEL include low-toxicity and high biodegradability. MEL provides new possibilities for a wide range of industrial applications, especially food, cosmetic, pharmaceutical fields and chemicals for biotechnology. In the fermentation process, techniques of measuring and controlling substrates and products are important to obtain high productivity with optimum concentrations of substrate and product in the culture broth. The measurement system for the concentrations of soya oil and MEL in the fermentation process was developed using near-infrared spectroscopy (NIRS). Soya oil and MEL in the culture broth were extracted with ethyl acetate and NIR spectra was carried out between the second derivative NIR spectral data at 1312 and 2040 nm and MEL concentrations obtained using a thin-layer chromatography with a flame-ionization detector (TLC/FID) method. A calibration equation for soya oil was results of the validation of the calibration equation, good agreement was observed between the results of the TLD/FID method and those of the NIRS method for both constituents. NIR method was applied to the measurement of the concentrations of MEL and soya oil in the practical fermentation and good results were obtained. The study indicates that NIRS is a useful method for measurement of the substrate and product in the glycolipid fermentation.

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Assessment of polluted factors in aquatic environment using near infrared spectroscopy

  • Norio, Sugiura;Zhang, Yansheng;Wei, Bin;Zhang, Zhenya;Isoda, Hiroko;Maekawa, Takaaki
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1272-1272
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    • 2001
  • Eutrophication processes of aquatic environment are strictly correlated with the concentration levels of nitrogen, phosphorous, organic matter and biological parameters such as phytoplankton and chlorophylla (Tremel, 1996; Burns et al., 1997; Young et al. 1999; Wei et al.,2000). Accordingly, the monitoring and evaluation of these factors will provide useful information about the health of aquatic ecosystem. However, the traditional types of auqatic chemistry analysis and ecological monitoring of phytoplankton are time-consuming, costly, and further resulting in secondary pollution due to the use of reagents. NIR (near-infrared) spectroscopy, as a rapid, non-destructive, little sample preparation and reagents-free technology (Hildrum et al., 1992), has been extensively applied to the characterization of food (Osborne and Fearn, 1988), pharmaceutical (Morisseau and Rhodes, 1995) and textile materials (Clove et al.,2000). Currently, NIR technology has been used indirectly in inferring lake water chemistry by two approaches, suspended (Malley et al., 1996) or seston (Dabakk et al., 1999), and sediments (Korsman et al., 1992; Malley et al., 1999). In addition, the evaluation of trophic state and the identification of the key factors contributed to the trophication are the key step to restore the damaged aquatic environment. Moreover, an understanding of the factors, which regulate the algal proliferation, is crucial to the successful management of aquatic ecosystem. In the paper, NIR technology will be used to study the environmental factors affecting the algal proliferation in combination with the trophic state index and diversity index. This novel developed system can be applied in monitoring and evaluating allopathic water environment and provide real time information services for the aquatic environment management.

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The Near-Infrared Imaging Spectroscopy to Visualize the Distribution of Sugar Content in the Flesh of a Melon

  • Tsuta, Mizuki;Sugiyama, Junichi;Sagara, Yasuyuki
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1526-1526
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    • 2001
  • To improve the accuracy of sweetness sensor in automated sorting operations, it is necessary to clarify unevenness of the sugar content distribution within fruits. And it is expected that the technique to evaluate the content distribution in fruits contribute to the development of the near-infrared (NIR) imaging spectroscopy. Sugiyama (1999) had succeeded to visualize the distribution of the sugar content on the surface of a half-cut green fresh melon. However, this method cannot be applied to red flesh melons because it depends on information of the absorption band of chlorophyll (676 nm), which is affected by the color of the fresh. The objective of this study was to develop the universal visualization method depends on the absorption band of sugar, which can be applied to various kinds of melons and other fruits. The relationship between the sugar contents and absorption spectra of both green and red fresh melons were investigated by using a NIR spectrometer to determine the absorption band of sugar. The combination of 2$\^$nd/ derivative absorbances at 902 nm and 874 nm was highly correlated with the sugar contents. The wavelength of 902 nm is attributed to the absorption band of sugar. A cooled charge-coupled device (CCD) imaging camera which has 16 bit (65536 steps) A/D resolution was equipped with rotating band-pass filter wheel and used to capture the spectral absorption images of the flesh of a vertically half-cut red fresh melon. The advantage of the high A/D resolution in this research is that each pixel of the CCD is expected to function as a detector of the NIR spectrometer for quantitative analysis. Images at 846 nm, 874 nm, 902 nm and 930 nm were acquired using this CCD camera. Then the 2$\^$nd/ derivative absorbances at 902 nm and 874 nm at each pixel were calculated using these four images. On the other hand, parts of the same melon were extracted for capturing the images and squeezed for the measurement of sugar content. Then the calibration curve between the combination of 2$\^$nd/ derivative absorbances at 902 nm and 874 nm and sugar content was developed. The calibration method based on NIR spectroscopy techniques was applied to each pixel of the images to convert the 2$\^$nd/ derivative absorbances into the Brix sugar content. Mapping the sugar content value of each pixel with linear color scale, the distribution of the sugar content was visualized. As a result of the visualization, it was quantitatively confirmed that the Brix sugar contents are low at the near of the skin and become higher towards the seeds. This result suggests that the visualization technique by the NIR imaging spectroscopy could become a new useful method fer quality evaluation of melons.

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Blood glucose monitoring under the existence of other blood components by a portable type-NIR spectrometer.

  • Baek, Ju-Hyun;Kang , Na-Roo;Woo, Young-Ah;Kim, Hyo-Jin
    • Proceedings of the PSK Conference
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    • 2003.10b
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    • pp.220.2-220.2
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    • 2003
  • Many interference in blood should be considered for non-invasive blood glucose level monitoring by near-infrared spectroscopy because blood glucose concentration is about 0.1% (w/v) in normal state. In this study, we investigated the influence of other blood components on blood glucose level monitoring by near-infrared spectroscopy. It carried out by newly developed portable type-NIR system (1100∼2200 nm). Spectrum features of NIR diffuse spectral data were investigated for some blood compnents powder such as hemoglobin, blood serum albumin, urea, uric acid, ascorbate, glucose, cholesterol and as adding glucose powder into other blood components powder mixture. (omitted)

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Determination of Hydrogen Peroxide Concentration by Portable Near-Infrared (NIR) System (근적외분광분석법을 이용한 과산화수소의 농도 측정)

  • 임현량;우영아;장수현;김경미;김효진
    • YAKHAK HOEJI
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    • v.46 no.5
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    • pp.324-330
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    • 2002
  • This experiment was carried out to determine non-destructively the hydrogen peroxide concentration of 3% antiseptic hydrogen peroxide solutions by portable near-infrared (NIR) system. Hydrogen peroxide standards were prepared ranging from 0 to 25.6 w/w% and the NIR spectra of hydrogen peroxide standard solutions were collected by using a quartz cell in 1 mm pathlength. We found the variation of absorbance band due to OH vibration of hydrogen peroxide depending on the concentration around 1400 nm in the second derivatives spectra. Partial least square regression (PLSR) and multilinear regression (MLR) were explored to develop a calibration model over the spectral range 1100-1720 nm. The model using PLSR was better than that using MLR. The calibration showed good results with a standard error of prediction (SEP) of 0.16%. In order to validate the developed calibration model, routine analyses were performed using commercial antiseptic hydrogen peroxide solutions. The hydrogen peroxide values from the NIR calibration model were compared with the values from a redox titration method. The NIR routine analyses results showed good correlation with those of the redox titration method. This study showed that the rapid and non-destructive determination of hydrogen peroxide in the antiseptic solution was successfully performed by portable NIR system without very harmful solvents.

Partial Least Squares Analysis on Near-Infrared Absorbance Spectra by Air-dried Specific Gravity of Major Domestic Softwood Species

  • Yang, Sang-Yun;Park, Yonggun;Chung, Hyunwoo;Kim, Hyunbin;Park, Se-Yeong;Choi, In-Gyu;Kwon, Ohkyung;Cho, Kyu-Chae;Yeo, Hwanmyeong
    • Journal of the Korean Wood Science and Technology
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    • v.45 no.4
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    • pp.399-408
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    • 2017
  • Research on the rapid and accurate prediction of physical properties of wood using near-infrared (NIR) spectroscopy has attracted recent attention. In this study, partial least squares analysis was performed between NIR spectra and air-dried specific gravity of five domestic conifer species including larch (Larix kaempferi), Korean pine (Pinus koraiensis), red pine (Pinus densiflora), cedar (Cryptomeria japonica), and cypress (Chamaecyparis obtusa). Fifty different lumbers per species were purchased from the five National Forestry Cooperative Federations of Korea. The air-dried specific gravity of 100 knot- and defect-free specimens of each species was determined by NIR spectroscopy in the range of 680-2500 nm. Spectral data preprocessing including standard normal variate, detrend and forward first derivative (gap size = 8, smoothing = 8) were applied to all the NIR spectra of the specimens. Partial least squares analysis including cross-validation (five groups) was performed with the air-dried specific gravity and NIR spectra. When the performance of the regression model was expressed as $R^2$ (coefficient of determination) and root mean square error of calibration (RMSEC), $R^2$ and RMSEC were 0.63 and 0.027 for larch, 0.68 and 0.033 for Korean pine, 0.62 and 0.033 for red pine, 0.76 and 0.022 for cedar, and 0.79 and 0.027 for cypress, respectively. For the calibration model, which contained all species in this study, the $R^2$ was 0.75 and the RMSEC was 0.37.

Application of Near-Infrared Reflectance Spectroscopy (NIR) Method to Rapid Determination of Seed Protein in Coarse Cereal Germplasm

  • Lee, Young-Yi;Kim, Jung-Bong;Lee, Ho-Sun;Lee, Sok-Young;Gwag, Jae-Gyun;Ko, Ho-Cheol;Huh, Yun-Chan;Hyun, Do-Yoon;Kim, Chung-Kon
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.55 no.4
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    • pp.357-364
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    • 2010
  • Kjeldahl method used in many materials from various plant parts to determine protein contents, is laborious and time-consuming and utilizes hazardous chemicals. Near-infrared (NIR) reflectance spectroscopy, a rapid and environmentally benign technique, was investigated as a potential method for the prediction of protein content. Near-infrared reflectance spectra(1100-2400 nm) of coarse cereal grains(n=100 for each germplasm) were obtained using a dispersive spectrometer as both of grain itself and flour ground, and total protein contents determined according to Kjeldahl method. Using multivariate analysis, a modified partial least-squares model was developed for prediction of protein contents. The model had a multiple coefficient of determination of 0.99, 0.99, 0.99, 0.96 and 0.99 for foxtail millet, sorghum, millet, adzuki bean and mung bean germplasm, respectively. The model was tested with independent validation samples (n=10 for each germplasm). All samples were predicted with the coefficient of determination of 0.99, 0.99, 0.99, 0.91 and 0.99 for foxtail millet, sorghum, millet, adzuki bean and mung bean germplasm, respectively. The results indicate that NIR reflectance spectroscopy is an accurate and efficient tool for determining protein content of diverse coarse cereal germplasm for nutrition labeling of nutritional value. On the other hands appropriate condition of cereal material to predict protein using NIR was flour condition of grains.

Application of Near Spectroscopy for Nondestructive Evaluation of Ginsenoside Content

  • Lin, Guo-Lin;Cho, Rae-Kwang;Hong, Jin-Hwan
    • Near Infrared Analysis
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    • v.1 no.2
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    • pp.45-48
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    • 2000
  • The effective component Ginsenoside in Ginseng has been widely used to cure some hypochondriasis and be as supplementary medicines. There are many chemical analysis methods to measure the contents of Ginsenoside in Ginseng; however, all these methods have some shortcomings such as long time, environmental pollution and damaging the samples. In this paper, it is possible to use near infrared spectroscopy to measure the content of Ginsenoside in Ginseng without destruction. As the results, Rg1, Rb1, Re and T-Saponin of Ginsenoside can be measured with the accuracy of R(0.81) SEP (1.704 mg/g), R(0.74) SEP (1.211 mg/g), R (0.78) SEP (1.049 mg/g) and R(0.84), SEP(4.537 mg/g).