• Title/Summary/Keyword: Spectroscopy, near-infrared

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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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Discrimination of geographical origin and cultivation years of Ginseng by near Infrared reflectance spectroscopy

  • Lin, Guo-Lin;Sohn, Mi-Ryeong;Cho, Rae-Kwnag;Hong, Jin-Hwan
    • Near Infrared Analysis
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    • v.1 no.2
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    • pp.41-44
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    • 2000
  • The objectives of this study are to discriminate the geographical origin and cultivation years of ginseng based on the near-infrared(NIR) reflectance spectroscopic analysis. Korea and China ginseng samples were prepared for discrimination of geographical origin. 4, 5 and 6 years-old ginseng samples from Korea were prepared for discrimination of cultivation years. Used spectrometer were InfraAlyzer 500, InfraAlyzer 400 and Fiber optic. Sample type of ginseng was 3, whole ginseng radix, slide section and powder type. The accuracy was affected by sample types and instruments. The accuracy for discrimination geographical origin was 97% in calibration model using IA 500 and ginseng powder. For discrimination of cultivation years, the model with slide selection using IA500 were relative accurate. The accuracy was 96.7% for 4-year, 91.3% for 5-year and 89.3% for 6-year old ginseng. The study shows that NIR spectroscopic analysis can be used to discriminate the geographical origin and cultivation years of ginseng with acceptable accuracy.

Application of Functional Near-Infrared Spectroscopy to the Study of Brain Function in Humans and Animal Models

  • Kim, Hak Yeong;Seo, Kain;Jeon, Hong Jin;Lee, Unjoo;Lee, Hyosang
    • Molecules and Cells
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    • v.40 no.8
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    • pp.523-532
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    • 2017
  • Functional near-infrared spectroscopy (fNIRS) is a noninvasive optical imaging technique that indirectly assesses neuronal activity by measuring changes in oxygenated and deoxygenated hemoglobin in tissues using near-infrared light. fNIRS has been used not only to investigate cortical activity in healthy human subjects and animals but also to reveal abnormalities in brain function in patients suffering from neurological and psychiatric disorders and in animals that exhibit disease conditions. Because of its safety, quietness, resistance to motion artifacts, and portability, fNIRS has become a tool to complement conventional imaging techniques in measuring hemodynamic responses while a subject performs diverse cognitive and behavioral tasks in test settings that are more ecologically relevant and involve social interaction. In this review, we introduce the basic principles of fNIRS and discuss the application of this technique in human and animal studies.

Application of time-of-flight near infrared spectroscopy to Satsuma mandarin

  • Tsuchikawa, Satoru;Ito, Satomi;Inoue, Kinuyo;Miyamoto, Kumi
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1627-1627
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    • 2001
  • In this study, a newly constructed optical measurement system, whose main components were a parametric tunable laser and a near infrared photoelectric multiplier, was applied to detection of the information for the inside of Satsuma mandarin using time-of-flight near infrared spectroscopy (TOF-NIRS). The combined effects on the time resolved profile of sample diameter, sugar content, the wavelength of the laser beam, and the detection position of transmitted light were investigated in detail. The samples used were Satsuma mandarin (Citrus unshu $M^{ARC}$.) (location: Wakayama, Japan) having the diameters of 50-84 mm. The sugar content measured by a refractometer varied from 9.9 to 16.3 Brix%. Equator of sample was irradiated vertically with the pulsed laser, and transmitted output power was measured on the restricted position of the equator using the optical fiber cable. The sampling time and the number of averaging the output power were 100 ns and 100 times, respectively. The variation of the attenuance of peak maxima At, the time delay of peak maxima t and the variation of full width at half maximum w were strongly dependent on the detection position and the wavelength of the laser beam. At, t and w increased gradually as the sample diameter increased to be much absorbed and vigorously scattered. On the other hand, each optical parameter had a tendency to increase as the sugar content increased. Such behavior was remarkable when the transmitted light was detected at the side face of a sample. When we apply TOF-NIRS to detection of the information for the inside of fruit with high moisture content like Satsuma mandarin, it is very important to give attention to the difference in the scattered light within tissues and the semi-straightly propagated light. Furthermore, we tried to express the resulting phenomena by using a model samples composed of water, sucrose, and milk. The variation of the time resolved profile is strongly governed by the combination of the light absorption component, scattering medium, and refractive index.

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Application of time-of-flight near infrared spectroscopy to Satsuma mandarin

  • Tsuchikawa, Satoru;Ito, Satomi;Inoue, Kinuyo;Miyamoto, Kumi
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1626-1626
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    • 2001
  • In this study, a newly constructed optical measurement system, whose main components were a parametric tunable laser and a near infrared photoelectric multiplier, was applied to detection of the information for the inside of Satsuma mandarin using time-of-flight near infrared spectroscopy (TOF-NIRS). The combined effects on the time resolved profile of sample diameter, sugar content, the wavelength of the laser beam, and the detection position of transmitted light were investigated in detail. The samples used were Satsuma mandarin (Citrus unshu $M_{ARC}$.) (location: Wakayama, Japan) having the diameters of 50-84 mm. The sugar content measured by a refractometer varied from 9.9 to 16.3 Brix%. Equator of sample was irradiated vertically with the pulsed laser, and transmitted output power was measured on the restricted position of the equator using the optical fiber cable. The sampling time and the number of averaging the output power were 100 ns and 100 times, respectively. The variation of the attenuance of peak maxima At, the time delay of peak maxima $\Delta$t and the variation of full width at half maximum Δw were strongly dependent on the detection position and the wavelength of the laser beam. At, $\Delta$t and $\Delta$w increased gradually as the sample diameter increased to be much absorbed and vigorously scattered. On the other hand, each optical parameter had a tendency to increase as the sugar content increased. Such behavior was remarkable when the transmitted light was detected at the side face of a sample. When we apply TOF-NIRS to detection of the information for the inside of fruit with high moisture content like Satsuma mandarin, it is very important to give attention to the difference in the scattered light within tissues and the semi-straightly propagated light. Furthermore, we tried to express the resulting phenomena by using a model samples composed of water, sucrose, and milk. The variation of the time resolved profile is strongly governed by the combination of the light absorption component, scattering medium, and refractive index.

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Application of Near Infrared Reflectance Spectroscopy as a Rapid Leaf Analysis Method to Evaluate Nutritional Diagnosis in Apple (Malus Domestica Borkh, Fuji) and grape(Vitis Labrusca, Campbell Early) (영양진단을 위한 신속한 엽분석 방법으로서 근적외분광분석기의 이용)

  • Seo, Young-Jin;Park, Man;Kim, Chang-Bae;Kim, Jong-Su;Yoon, Jae-Tak;Cho, Rae-Kwang
    • Korean Journal of Soil Science and Fertilizer
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    • v.33 no.4
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    • pp.242-246
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    • 2000
  • The Near Infrared Reflectance Spectroscopy(NIR) was used to evaluate nutritional diagnosis for rapid leaf analysis method, 177 'Fuji' apple and 130 'Campbell Early' grape leaves were measured by Near Infrared reflectance spectra in the NIR region(1,100~2.500nm). Total nitrogen content was measured by kjelldhal distillation, after salycilic acid-sulfuric acid digestion. An empirical equation to predict total nitrogen content from its spectral signature was developed by adapting the Near Infrared Reflectance Spectroscopy analysis(NIRa) technique and the results were apple-0.965(R). 0.086(SEC), grape-0.926(R), 0.152(SEC). Standard Error of Prediction(SEP) of NIRa for predicting the total nitrogen of apple and grape leaves was 0.360 and 0.210, respectively. It was concluded that Near infrared reflectance spectroscopy analysis is promising method for rapid analysis of apple and grape leaves.

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Classification of Red Wines by Near Infrared Transflectance Spectroscopy

  • W.Guggenbichler;Huck, C.W.;M.Popp;G.K.Bonn
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1516-1516
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    • 2001
  • During the recent years, wine analysis has played an increasing role due the health benefits of phenolic ingredients in red wine [1]. On the other hand there is the need to be able to distinguish between different wine varieties. Consumers want to know if a wine is an adulterated one or if it is based on the pure grape. Producers need to certificate their wines in order to ensure compliance with legal regulations. Up to now, the attempts to investigate the origin of wines were based on high-performance liquid chromatography (HPLC), gas chromatography (GC) and pyrolysis mass spectrometry (PMS) [l,2,3]. These methods need sample pretreatment, long analysis times and therefore lack of high sample throughput. In contradiction to these techniques using near infrared spectroscopy (NIRS), no sample pretreatment is necessary and the analysis time for one sample is only about 10 seconds. Hence, a near infrared spectroscopic method is presented that allows a fast classification of wine varieties in bottled red wines. For this, the spectra of 50 bottles of Cabernet Sauvignon, Lagrein and Sangiovese (Chianti) were recorded without any sample pretreatment over a wavelength range from 1000 to 2500 nm with a resolution of 12 cm$\^$-1/. 10 scans were used for an average spectrum. In order to yield best reproducibility, wines were thermostated at 23$^{\circ}C$ and a optical layer thickness of 3 mm was used. All recorded spectra were partitioned into a calibration and validation set (70% and 30%). Finally, a 3d scatter plot of the different investigated varieties allowed to distinguish between Cabernet Sauvignon, Lagrein and Sangiovese (Chianti). Considering the short analysis times this NRS-method will be an interesting tool for the quality control of wine verification and also for experienced sommeliers.

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A Study on the Performance Characteristics of Portable Analyzer for Determination of Sugar Content in Citrus Unshiu using Near Infrared Spectroscopy (근적외선 분광기술을 이용한 휴대용 감귤 당도 선과기 성능특성에 관한 연구)

  • Yoon, Sung-Un;Ma, Sang-Dong;Kim, Myung-Yun;Kim, Jae-Yeol
    • Transactions of the Korean Society of Machine Tool Engineers
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    • v.15 no.5
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    • pp.1-6
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    • 2006
  • The purpose of this study is to develop to portable near infrared analyzer measuring the sugar content of the fruits on a tree before harvesting ones. The portable near infrared system consists of a tungsten lamp, a coaxial optical fiber bundle and a multi-channel detector, which has 256 pixels and a concave transmission grating. Reflectance NIR spectra of orange were recorded by using a coaxial optical fiber bundle. The spectra were collected over the spectral range $400{\sim}1100nm$. Partial least squares regression(PLSR) was applied for a calibration and validation for determination of sugar contents. The multiple correlation coefficient was 0.99 and standard errors of calibration(SEC) was 0.069 brix. The calibration model predicted the sugar content for validation set with standard errors of prediction(SEP) of 0.092 brix. The sugar content in fruits was successfully quantified using the portable near infrared analyzer.

FAST QUANTITATIVE AND QUALITATIVE ANALYSIS OF PHARMACEUTICAL TABLETS BY NIR

  • Nielsen, Line-Lundsberg;Charlotte Kornbo;Mette Bruhn
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.3111-3111
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    • 2001
  • The implementation of NIR and chemometrics in the Pharmaceutical industries is still in strong progress, both regarding qualitative and quantitative applications and beneficial results are seen. Looking at the development so far, NIR will change the pharmaceutical industry even more in the future. This presentation will address the experiences and progress achieved regarding the application and implementation of quantitative methods for determination of content uniformity and assay of tablets with less than 10% w/w of active, using Near Infrared transmittance spectroscopy in combination with PLS. Also qualitative methods for identification of the same tablets by Near Infrared reflectance spectroscopy will be discussed. Four commercial tablet strengths are formulated and produced from two different compositions by direct compression. Three different strengths are dose proportional, i.e. fixed concentration by varying in size. The aim was to replace the conventional primary methods for analysing content uniformity, assay and identification by NIR. Studies were performed on comparing transmittance versus reflectance spectroscopy for both applications on the dose proportional tablets. The model for determination of content uniformity and assay was developed to cover both coated and uncoated tablets, whereas the qualitative model was developed to identify coated tablets only. The impact of the tablet formulation, tablet size and coating, resulted in individual models far each composition The best calibration was achieved using diffuse reflectance for the identification purposes and diffuse transmittance for the quantitative determination of the active content within the tablets. As NIR in combination with other techniques opens up the possibility of total quality management within the production, the transfer of the above-mentioned models from a laboratory based approach to an at-line approach at H.Lundbeck will be addressed too.

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Somatic cell counts determination in cow milk by near infrared spectroscopy: A new diagnostic tool

  • Tsenkova, R.;Atanassova, S.;Kawano, S.;Toyoda, K.
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.4104-4104
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    • 2001
  • Milk somatic cell count (SCC) is a recognized indicator of cow health and milk quality. The potential of near infrared (NIR) spectroscopy in the region from 1100 to 2500nm to measure SCC content of cow milk was investigated. A total of 196 milk samples from 7 Holstein cows were collected for 28 days, consecutively, and analyzed for fat, protein, lactose and SCC. Three of the cows were healthy, and the rest had mastitis periods during the experiment. NIR transflectance milk spectra were obtained by the InfraAlyzer 500 spectrophotometer in a wavelength range from 1100 to 2500 nm. The calibration for logSCC was performed using partial least square (PLS) regression and different spectral data pretreatment. The best accuracy of determination was found for equation, obtained using smoothed absorbance data and 10 PLS factors. The standard error of calibration was 0.361, calibration coefficient of multiple correlation 0.868, standard error of prediction for independent validation set of samples 0.382, correlation coefficient 0.854 and the variation coefficient 7.63%. The accuracy of logSCC determination by NIR spectroscopy would allow health screening of cows, and differentiation between healthy and mastitic milk samples. When the spectral information was studied it has been found that SCC determination by NIR milk spectra was indirect and based on the related changes in milk composition. In the case of mastitis, when the disease occurred, the most significant factors that simultaneously influenced milk spectra were alteration of milk proteins and changes in ionic concentration of milk.

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