• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1082-1082
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• 2001

Extrusion is one of the most important processes in polymer industry. The characterization of the polymer melt during processing will improve this process noticeably, One possibility of characterizing the actual processed polymer melt is the inline near infrared (NIR) spectroscopy, With this method several polymer properties can be observed during processing, e.g. composition, moisture ormechanical properties of the melt. For this purpose probes for transmission and reflection measurements have been developed, withstanding the high temperatures and pressures appearing during extrusion process (tested up to 300$^{\circ}C$ and 10 ㎫). For the transmission system an optical bypass was developed to eliminate disturbing spectral influences and hence increase the long term stability, which is the prerequisite for an industrial application. Measurements in transmission and reflection produced comparable results (or blending processes, where the prediction error was less than 1%. An optimum RMSEP of only 0.24% was found for preprocessed polymer blends measured in transmission on a laboratory extruder. A transflection measurement allowed for the first time the recording of relevant NIR-spectra in the screw area of an extruder. The application to a (PE+PP) blending process delivered promising results. This new measurement mode allows the observation of the ongoing processes within the screw area, which is of maximum Interest for reactive extrusion processes. Due to economic reasons the calibration transfer between different extrusion systems is also of high importance. Investigations on simulated and real-world spectra showed that a calibration transfer is possible. A new method alternatively to the well-known direct standardization procedures was developed, which is based on an automatic data pretreatment. This procedure delivers comparable results for the calibration transfer. Overall this paper presents concepts, components and algorithms for the inline near infrared (NIR) spectroscopy for polymer extrusion, which allows the use of it in a real industrial extrusion process.

• 한국식품과학회지
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• 제24권5호
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• pp.404-407
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• 1992

이 연구의 목적은 식품성분의 분석을 위한 신속간편법으로 근적외선 반사 분광분석을 이용함에 있어 흡광도에 영향을 미치는 시료의 물리적, 화학적 요인을 규명하고자 한다. 온도를 달리한 정육시료를 근적외선 파장 범위인 $1100{\sim}2500\;nm$에서 흡광도를 측정한 결과 온도가 상승함에 따라 흡광도가 대체로 증가하였다. 시료의 세절시간이 길어질수록 흡광도는 감소하였다. 정육, 육단백질, 지방 및 수분의 근적외선 스펙트럼에서 나타난 흡수띠는 분자내의 C-H, N-H, O-H 및 C=O 결합의 overtone과 combination 진동에 의한 것으로 확인되었다. 정육 구성성분 중 육단백질의 흡광도가 가장 낮았으며 지방은 1700 nm와 2300 nm 부근에서 특징적인 ${\cdot}CH_2{\cdot}$ 흡수띠를 보였고 1450 nm와 1930 nm에서 물분자에 의한 강한 흡수띠가 나타났다. 결과적으로 정육의 근적외선 스펙트럼의 흡광도는 함유된 수분과 지방에 의한 영향을 많이 받는 것으로 사료된다.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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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.

• Journal of Biosystems Engineering
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• 제22권3호
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• pp.333-342
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• 1997

The objective of this research was to develop model equations for measuring rice milling ratio by using visible / HIR spectroscopy. Twelve kinds of brown rice(n = 149) were milled to obtain various milling ratio ranged from 86% to 94%. Visible/NIR spectra were collected with a spectrophotometer with sample transport module. The reflectance and transmission spectra were measured in the range of 400~2, 500nm and 600~1, 400nm, respectively, with 2 nm intervals. Multiple linear regression(MLR), Partial least square (PLS), and Artificial neural network(ANN) were used to develop models. Model developed with reflectance spectra showed better prediction results then those with transmission spectra. The MLR model with six-wavelength obtained from first derivative spectra gave to the best results for measuring the rice milling ratio(SEP = 0.535, , $r^2$ = 0.980). The PLS model(SEP = 0.604, $r^2$= 0.976) and ANN model(SEP = 0.566, $r^2$= 0.978) also can be used to determine the rice milling ratio effectively.

• 약학회지
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• 제48권1호
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• pp.6-12
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• 2004

Near-infrared spectra of methanol-water mixtures and acetonitrile-water mixtures were acquired to find interactions between solvents widely used for reverse-phase liquid chromatography. Mixtures were prepared to give a series of increasing mole fractions of methanol or acetonitrile in water. Data matrices of acquired spectra were analyzed to determine the proper number of principal components of each mixture system using Malinowski's factor indicator function. Initial guess of score matrix and loading matrix were calculated by nonlinear iterative partial least squares (NIPALS) algorithm for faster computation. Iterative target transform factor analysis (ITTFA) was applied to convert the initial estimation of score matrix to true concentration profile and loading matrix to pure spectra of pure components of the mixtures. In case of methanol-water the number of principal components was found to be 4 and those initial guess of factors were converted to the pure spectra of water methanol and two kinds of complexes. In case of acetonitrile-water the number of pure components of the mixtures was found to be 3 and the pure spectrum of acetonitrile-water complex was found. The nonlinear characteristics of concentration profiles of complexes in the solvent mixtures may give a good criteria in understanding their elution characteristics in reverse-phase liquid chromatogrsphy.

• 천문학논총
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• 제27권4호
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• pp.161-164
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• 2012

We performed a spectroscopic survey for cometary volatiles with the Infrared Camera onboard the Japanese infrared satellite AKARI. The observations were carried out in the near-infrared wavelength range in the period from 2008 June to 2010 January. In this paper, we summarize the observations and results of the AKARI survey for the mixing ratios of major volatiles in comets. We derived the $2.5-5{\mu}m$ spectra of 18 comets including both Oort cloud comets and Jupiter-family comets. Prominent emission bands in the observed spectra are the fundamental vibrational bands of water ($H_2O$) at $2.7{\mu}m$ and carbon dioxide ($CO_2$) at $4.3{\mu}m$. The fundamental vibrational band of carbon monoxide (CO) at $4.7{\mu}m$ and the broad emission feature probably related to C-H bearing molecules can also be recognized around the $3.4-3.5{\mu}m$ region in some comets. We detect $CO_2$ in 17 out of 18 comets, and derived gas production rate ratios of $CO_2$ with respect to $H_2O$ in 17 comets. We detect a reliable CO emission band only in three of the comets. Our data set provides the largest homogeneous database of $CO_2/H_2O$ ratios in comets obtained so far.

• Journal of the Korean Wood Science and Technology
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• 제45권4호
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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.

• 한국연초학회지
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• 제20권2호
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• pp.191-197
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• 1998

Discriminant analysis using near infrared spectra derived from Korean Flue-cured(KF) and American Flue-cured(AF), and also Korean Burley(KB) and American Burley(AB) tobacco was done to classify flue-cured and burley tobacco as either grown in Korea or grown in the USA. Samples were scanned in the wavelength of 400 ～ 2500 nm by near infrared analyzer(NIRSystem Co., model 6500). The discrimination equations for flue-cured and burley tobacco were developed using partial least square 2 method in Infrasoft International NIRS 3 software package. KF samples used for the development of the discrimination equations were higher contents of total sugar, crude ash and chlorine, and higher value of leaf density and brightness, but lower contents of nicotine, total nitrogen and ether extracts, and higher value of redness than those of AF samples. KB samples were higher contents of nicotine, crude ash and chlorine, but lower contents of ether extracts and value of brightness than those of AB samples. On 3 dimensional graph drawn with 3 principal component scores calculated with 3 principal component from KF and KB sample spectra, KF sample spectra were significantly different from AF, and also KB sample spectra were significantly different from AB. The discrimination equations of flue-cured and burley were developed with 3 principal component, respectively. The discrimination equations for flue-cured and burley had a standard error of 0.03 and 0.04, and a R2 of 0.88 and 0.84, respectively. The tobacco samples used for the development of discrimination equation were perfectly classified as KF and AF by flue-cured discrimination equation, and also perfectly classified KB and AB by burley discrimination equation, respectively. The correct classification rates of KF and AF samples not used for the development of discrimination equations were 9S % (828 out of 869 samples) and 98 % (98 out of 100 samples) by flue-cured discrimination equations, and KB and AB samples were 94%(345 out of 368 samples) and 100%(42 out of 42 samples) by burley discrimination equations, respectively.

• Journal of the Korean Wood Science and Technology
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• 제47권4호
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• pp.509-518
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• 2019

This study analyzed the effect of organic solvent extractives on the classification of wood species via near-infrared spectroscopy (NIR). In our previous research, five species of Korean softwood were classified into three groups (i.e., Cryptomeria japonica (cedar)/Chamaecyparis obtuse (cypress), Pinus densiflora (red pine)/Pinus koraiensis (Korean pine), and Larix kaempferi (Larch)) using an NIR-based principal component analysis method. Similar tendencies of extractive distribution were observed among the three groups in that study. Therefore, in this study, we qualitatively analyzed extractives extracted by an organic solvent and analyzed the NIR spectra in terms of the extractives' chemical structure and band assignment to determine their effect in more detail. Cedar/cypress showed a similar NIR spectra patterns by removing the extractives at 1695, 1724, and 2291 nm. D-pinitol, which was detected in cedar, contributed to that wavelength. Red pine/Korean pine showed spectra changes at 1616, 1695, 1681, 1705, 1724, 1731, 1765, 1780, and 2300 nm. Diterpenoids and fatty acid, which have a carboxylic group and an aliphatic double bond, contributed to that wavelength. Larch showed a catechin peak in gas chromatography and mass spectroscopy analysis, but it exhibited very small NIR spectra changes. The aromatic bond in larch seemed to have low sensitivity because of the 1st overtone of the O-H bond of the sawdust cellulose. The three groups sorted via NIR spectroscopy in the previous research showed quite different compositions of extractives, in accordance with the NIR band assignment. Thus, organic solvent extractives are expected to affect the classification of wood species using NIR spectroscopy.

• Near Infrared Analysis
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• 제1권1호
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• pp.37-41
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• 2000

The purpose of this research was to develop a the reflection technique with near infrared (NIR) radiation for estimating soil components. NIR reflectance was scanned at 2nm intervals from 1100 to 2500nm with an InfraAlyzer 500 (Bran & Luebbe Co.). Over 400 soil sample from fields of different crops and land-use over Youngnam and Honam regions were used to obtain mean diffuse reflection of the soil for the calibration and validation of the calibration set in estimating moisture, organic matter (OM) and total nitrogen (T-N) of the soils. Multiple linear regression (MLR) was used to evaluate the correlation of NIR spectroscopy method. Reflection pattern of NIR spectra for finely sized sample (<0.5mm) and coarsely sized soil(<2mm) did not show much difference. The results showed that NIR spectroscopy and coarsely sized soil (<2mm) did not show much difference. The results showed that NIR spectroscopy could be used as a routine soil testing method in estimating OM, moisture, T-N in soil samples simultaneously.