• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1276-1276
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• 2001

Polycyclic aromatic hydrocarbons(PAHs) are widely distributed in the environment and are often implicated as potential carcinogens. The chromatographic methods of detection and quantitative determination of PAHs in environmental samples are costly, time consuming, and do not account for all kinds of PAHs. This work describes a quantitative spectroscopic method for the analysis of mixtures of eight PAHs using multivariate calibration models for Fourier transform near infrared(FT-NIR) spectral data. The NIR spectra of mixtures of PAHs (anthracene, pyrene, 1,2-benzanthracene, perylene, chrysene, benzo(a)pyrene, 1-methylanthracene and benzo(ghi)perylene) were measured in the wavelength range from 1100 nm to 2500 nm. The spectral data were processed using a partial least squares regression. We have studied the spectral characteristics of NIR spectra of mixtures of PAHs. It was possible to determine each PAM used in this study at the environmental level(mg L-1) in the laboratory samples. Further development may lead to the rapid determination of more PAHs in typical environmental samples.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.4113-4113
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• 2001

This study developed effective assay method of pharmaceutical quality control was developed by near-infrared spectroscopy (NIRS). The calibration equation model of assay was developed by 2nd deriviative PLS(Partial Least Squares) regression method with NIRS over the wavelength range from 1100 to 1400nm using diazepam tablets (2mg, 5mg). Although diazepam tablets are made by 5-different manufacture, they have similar formulation. When the correlation was compared with values by NIRS and HPLC, the R-2s and standard error of calibration (SEC) for 2mg were 0.9300 and 0.98%, the R-2s and SEC for 5mg were 0.9165 and 0.63%. The validation of the calibration equation model yield that the R-2s and standard error of prediction (SEP) for 2mg were 0.9611 and 0.995%, the R-2s and SEP for 5mg were 0.9114 and 0.842%. The method was validated on assay method for diazepam tablets by the calibration equation.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.2122-2122
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• 2001

The ultra-high pressure technology fur the preservation of foods is under intense research to evaluate its potential as an alternative or complementary process to traditional methods of food preservation. Traditional processing methods usually need a large amount of energy, may cause unwanted reactions in the food, leading to cooked flavor and loss of vitamins, etc. The application of ultra-high hydrostatic pressure for food processing consists of subjecting the food to pressures in the range of 100-1000 ㎫. The ultra-high pressure inactivates the microorganisms and some enzymes, promotes the germination of spores and extends the shelf-life of the foods. This new technology follows the “minimal processing” concept minimizing the quality degradation, saving the vitamins, essential nutrients and flavors as well as utilizing less energy. We joined the research team at our University involved in the mentioned technology using an ultra-high pressure equipment, recording of the near infrared spectra and signal response of a chemosensor array (electronic nose) of their meat (beef and pork), vegetable and fruit samples exposed to different pressure. The results of our investigations achieved by evaluating the measured data using PCA and PQS methods will be presented.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.3115-3115
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• 2001

In this study, portable near infrared (NIR) system was newly integrated with a photodiode array detector, which has no moving parts and this system has been successfully applied for evaluation of human skin moisture. The good correlation between NIR absorbance and absolute water content of separated hairless mouse skin was, in vitro, showed depending on the water content (7.42-84.94%) using this portable NIR system. Partial least squares (PLS) regression was used for the calibration with the 1100-1650 nm wavelength range. For the practical use for the evaluation of human skin based on moisture, PLS model for human skin moisture was, in vivo, developed using the portable NIR system based on the relative water content values of stratum corneum from the conventional capacitance method. The PLS model showed a good correlation. This study indicated that the portable NIR system could be a powerful tool for human skin moisture, which may be much more stable to environmental conditions such as temperature and humidity, compared to conventional methods. Furthermore, in order to confirm the performance of newly integrated portable NIR system, scanning type conventional NIR spectrometer was used in the same experiments and the results were compared.

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

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.4101-4101
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• 2001

Information of body composition (fat and protein) in living animal is important to determine the nutrients requirement. Deuterium oxide (D2O) dilution techniques, as one of isotope dilution techniques have been useful for the prediction of body composition. However, the determination of D2O concentration is time consuming and complicated. Therefore this study was conducted to develop a new method to predict D2O concentration in plasma using near infrared spectroscopy technique (NIRS). Four dairy cows in early lactation were used. They were fed total mixed ration containing conr silage, timothy hay, and concentrates to make 17.0%CP and 14.0 MJDE/kgDM. Dosing D2O was at week 1,3 and 5 after parturition. After dosing D2O, the blood was collected from hour 0 to 72. Blood samples were then centrifuge at 3,000 rpm for 10 minutes to obtain plasma. D2O concentration was analyzed by gas chromatograph (deuterium oxide analyzable system, HK102, Shokotsusyou) after extracted from plasma by liophilization. Plasma sample was scanned by NIRS using Pacific Scientific (Neotec) model 6500 (Perstorp Analytical, Silver Spring, MD) in the range of wavelength from 1100 to 2500 nm. Calibration equation was developed using multiple linear regression. Sample from one animal (cow #550; n: 74) was used for developing the calibration while the rest three animals were used for validating the equation. The range, R and SEC of the calibration set samples were 135-925 ppm, 0.93 and 48.1 ppm, respectively. Validation of the calibration equation for three individual cows was done and the average of NIR predicted value of D2O at each collection time from three weeks injection showed a high correlation. The range, r and 53 of plasma from cow #474 were 322-840 ppm,0.93 and 53.1; cow #478 were 146-951 ppm,0.95 and 39.8; cow #942 were 313-885 ppm,0.95 and 37.2, respectively. Judgement of accuracy based on ratio of standard deviation and standard error in validation set samples (RPD) for cow #474, #478 and #942 were 2.2,4.3 and 3.4, respectively. The error in application due to the variation between individual was considered smaller than the bias from collection period, however, this prediction can be overcome with correction of standard zero-minute concentration of blood. The results of this preliminary study on the use of NIRS for determination of D2O in plasma showed very promising as shown by a convenient and satisfy accuracy. Further study on various physiological stage of animal should be done.

• 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.

• 한국산학기술학회논문지
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• 제16권6호
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• pp.4121-4124
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• 2015

에너지 절감 유리창에서는 근적외선 차단 기능이 요구되고 있다. 본 연구에서는 근적외선 반사를 위한 광학 박막의 설계, 제작 및 광학적 특성이 연구 되었다. 광학 박막은 저굴절률막과 고굴절률막의 적층 박막 구조로 설계하였다. 설계구조에 따라 RF 스퍼터링 방법을 이용한 $SiO_2$와 $TiO_2$ 박막의 증착 실험이 수행되었고 파워에 따른 증착 조건 파라미터에 따라서 제작된 스퍼터링 박막의 특성이 분광타원기, 원자현미경, 분광기로 분석되었다. 적층박막 구조의 설계는 $SiO_2$와 $TiO_2$의 고굴절률 박막/저굴절률 박막/고굴절률 박막의 적층 구조로서 근적외선 차단 다층막이 설계되었고 시뮬레이션 되었다. 시뮬레이션 결과 파장대역 930nm에서 1682nm의 범위에서 반사율30%이상이 관찰되었다. 시뮬레이션 결과를 토대로 제작된 삼층 구조의 박막은 파장 대역이 930nm에서 1525nm범위 대역에서 반값 전폭의 반사율 33%이상을 구현할 수 있었다.

• 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.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.4106-4106
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• 2001

A method to discriminate human gallstones by nea. infrared(NIR) spectrometry using a soft independent modeling of class analogy (SIMCA) has been studied. The fifty NIR spectra of gallstones in the wavenumber range from 4500 to 10,000 cm$\^$-1/ were measured. The forty samples were classified to three classes, cholesterol stone, calcium bilirubinate stone and calcium carbonate stone according to the contents of major components in each gallstone. The training set which contained objects of the different known class was constructed using forty NIR spectra and the test set was made with ten different gallstone spectra. The number of important principal components(PCs) to describe the class was determined by cross validation in order to improve the decision criterion of the SIMCA for the training set. The score plots of the class training set whose objects belong to the other classes were inspected. The critical distance of each class was computed using both the Euclidean distance and the Mahalanobis distance at a proper level of significance(${\alpha}$). Two methods were compared with respect to classification and their robustness towards the number of PCs selected to describe different classes.