• 대한약학회:학술대회논문집
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• 대한약학회 2002년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2
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• pp.399.3-399.3
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• 2002

Near-infrared (NIR) system was used to determine rapidly and simply indomethacin in buffer solution for a dissolution test for tablets and capsules. Indomethacin standards were prepared ranging from 10 to 50ppm using mixture of phosphate buffer(pH 7,2) and water(1:4), The near infrared(NIR) transmittance spectra of indomethacin standard solutions were collected by using a quartz cell in 1 mm and 2mm pathlength, Partial least-square regression (PLSR) was explored to develop calibration models over the spectral range 1100-1700nm. (omitted)

• Mass Spectrometry Letters
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• 제14권4호
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• pp.173-177
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• 2023

Kendrick plots offer an alternative visualization of mass spectral data which reveals ion series and patterning by turning a mass spectrum into a map, plotting the fractional mass (wrongly called mass defect) as a function of mass-to-charge ratios and ion abundances. Although routinely used for polymer mass spectrometry, two unreported applications of these Kendrick plots are proposed using the program "kendo2": the graphical recalibration of a mass spectrum via the simulation of a theoretical fractional mass and a multi-segment fit; and the rapid evaluation of scan-to-scan variation of accurate mass measurements used as tolerances for the blank subtraction of UPLC-MS data files. Both applications are compatible with any type of high-resolution MS data including LC/GC-MS(/MS).

• 분석과학
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• 제12권5호
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• pp.375-381
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• 1999

본 연구는 기존에 사용되고 있는 음주측정기의 부정확성과 비위생적인 면을 개선하기 위한 비침습적인 알코올 측정기를 개발하기 위해 근적외선분광분석법을 적용하였다. 먼저 근적외선분광분석법으로 혈중 알코올을 측정하기 위한 전 단계로 순수한 알코올을 0.01~0.1%의 농도로 함유한 검체를 측정하였다. MLR(multiple linear regression)방법을 통한 통계적 처리에서 1360, 2256, 2012, 그리고 1358 nm의 네 파장을 선택했을 때 SEC(standard error of calibration)은 0.0039, multiple R은 0.99를 나타냈다. 혈중 알코올 시료 측정시 MLR을 적용했을 때 2266과 2326 nm 파장을 선택했을 경우 가장 유의성 있는 결과를 나타냈다. 또 다른 통계적 방법인 PLSR(partial least squares regression)의 경우 이차 미분 스펙트럼의 1100~1340, 1500~1796, 그리고 2064~2300 nm의 범위에서 4개의 factor를 사용했을 때 0.030의 SEP값을 나타냈다. 이로서 근적외선분광분석법을 이용하여 혈액 중의 알코올을 신속하게 분석할 수 있는 가능성을 제시하였다.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.2111-2111
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• 2001

A chemoinfometrical method for evaluating the quantitative determination of crystallinity one polymorphs based on fourie-transformed near-infrared (FT-NIR) spectroscopy was established. A direct comparison of the data with the ones collected from using the and compared with the conventional powder X-ray diffraction method was performed. [Method] The pPure a and g forms of indomethacin (IMC) were prepared by reportedusing published methods. Six kinds of standard samples obtained by physically mixing of a and g forms. After the powder X-ray diffraction profiles of samples have been measured, the intensity values were normalized to against the intensity of silicon powder as the as an external standard. The calibration curves for quantification of crystal content were based upon the total relative intensity of four diffraction peaks from of the form g crystal. FT-NIR spectra of six calibration sample sets were recorded 5 times with the NIR spectrometer (BRAN+LUEBBE). Chemoinfometric analysis was performed on the NIR spectral data sets by applying the principal component regression (PCR). [Results] The relation between the actual and predicted polymorphic contents of form g IMC measured using by the X-ray diffraction method shows a good straight linen linear relation., and it has slope of 0.023, an intercept of 0.131 and a correlation coefficient of 0.986. PCR analyses wereis was performed based on normalized NIR spectra sets offer standard samples of known content of IMC g form. IMC. A calibration equation was determined to minimize the root mean square error of the predictionthe prediction. Figure 1 shows a plot of the calibration data obtained by NIR method between the actual and predicted contents of form g IMC. The predicted values were reproducible and had a smaller standard deviation. Figure 2 shows that the plot for the predicted transformation rate (%) of form a IMC to form g as measured by X-ray diffractomeoy against to those as measured by NIR method. The plot has a slope of 1.296, an intercept of 1,109, and a correlation coefficient of 0.992. The line represents a satisfactory correlation between the two predicted values of form g IMC content. Thus NIR spectroscopy is an effective method for the evaluation to the pharmaceutical products of quantitative of polymorph.

• 한국초지조사료학회지
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• 제31권4호
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• pp.415-422
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• 2011

본 연구는 최근 조사료의 신속한 품질평가 방법으로 근적외선 분광법의 이용성이 확대되고 있는 시점에 근적외선 분광기의 현장 적용성을 평가하기 위하여 수행되었다. 실험실용 근적외선분광기와 소형 근적외선분광기의 조사료 품질평가의 예측 정확성을 평가하기 위하여 전남지역에서 이탈리안 라이그라스 사일리지 67점을 수집하여 각각의 근적외선 분광기를 이용하여 스펙트럼을 측정한 후 사료가치의 실험실 분석값과 다변량회귀분석을 통하여 검량식을 유도하여 예측 정확성을 평가하였다. 이탈리안 라이그라스 사일리지의 수분함량에 대한 예측정확성은 실험실용 근적외선분광기와 소형근적외선분광기에서 각각 SEC = 2.50% ($R^2$=0.96), SEC = 2.83% ($R^2$=0.95)로 매우 신뢰성이 우수한 결과를 나타내었으나 사일리지의 발효품질의 주요 평가항목인 pH와 젖산함량은 실험실용 근적외선분광기의 결과가 SEC = 0.21% ($R^2$=0.82), SEC = 0.24% ($R^2$=0.83)로 소형 근적외선분광기 보다 우수한 결과를 나타내었다. 또한 ADF, NDF 및 조단백질 함량은 실험실용 근적외선분광기의 예측 정확성이 각각 SEC = 0.59% ($R^2$=0.96), SEC = 0.74% ($R^2$=0.97), SEC = 0.67% ($R^2$=0.82)로 높게 나타났다.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.4105-4105
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• 2001

Near infrared spectroscopy (NIRS) was employed to qualify and quantify on survival, the injury rate and apoptosis of the human breast cancer cell line MCF-7 cells. MCF-7 cells were cultured in RPMI medium supplemented with 10% FCS in a 95% air and 5% CO2 atmosphere at 37$^{\circ}C$. For the viable cells preparation, cells were de-touched by 0.1% of trypsin treatment and washed with RPMI supplemented with 10% FCS medium by centrifugation at 1000 rpm for 3min. For the dead cells preparation, cells were de-touched by a cell scraper. The cells were counted by a hemacytometer, and the viability was estimated by the exclusion method with frypan blue dye. Each viable and dead cells were suspended in PBS (phosphate bufferred saline) or milk at the cell density desired. For the quantitative determination of cell death by measuring the LDH (lactate dehydrogenase) activity liberated from cells with cell membrane injuries, LDH-Cytotoxic Test Wako (Wako, Pure Pharmaceutical Co. Ltd., Japan) was used. We found that NIRS measurement of MCF-7 cells at the density range could evaluate and monitor the different characteristics of living cells and dead cells. The spectral analysis was performed in two wavelength ranges and with 1,4, 10 mm pathlength. Different spectral data pretreatment and chemometrics methods were used. We applied SIMCA classificator on spectral data of living and dead cells and obtained good accuracy when identifying each class. Bigger variation in the spectra of living cells with different concentrations was observed when compared to the same concentrations of dead cells. PLS was used to measure the number of cells in PBS. The best model for measurement of dead cells, as well as living cells, was developed when raw spectra in the 600-1098 nm region and 4 mm pathlength were used. Smoothing and second derivative spectral data pretreatment gave worst results. The analysis of PLS loading explained this result with the scatter effect found in the raw spectra and increased with the number of cells. Calibration for cell count in the 1100-2500 nm region showed to be very inaccurate.

• Near Infrared Analysis
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• 제2권1호
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• pp.59-66
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• 2001

Nowadays, medical diagnostics is efficiently supported by clinical chemistry and near infrared spectroscopy is becoming a new dimension, which has shown high potential to provide valuable information for diagnosis. The investigation was carried out to study the influence of mammary gland inflammation, called mastitis, on cow´s milk spectra and milk composition measured by near infrared spectroscopy (NIRS). Milk somatic cell counts (SCC) in milk were used as a measure of mammary gland inflammation. Naturally occurred variations with milk composition within lactation and in the process of milking were included in the experimental design of this study. Time series of unhomogenized, raw milk spectral data were collected from 3 cow along morning and evening milking, for 5 consecutive months, within their second lactation. In the time of the trial, the investigated cows had periods with mammary gland inflammation. Transmittance spectra of 258 milk samples were obtained by NIRSystem 6500 spectrophotometer in 1100-2400 nm region. Calibration equations for the examined milk components were developed by PLS regression using 3 different sets of samples: samples with low somatic cell count (SCC), samples with high SCC and combined data set. The NIR calibration and prediction of individual cow´s milk fat, protein, and lactose were highly influenced by the presence of mil samples from animals with mammary gland inflammation in the data set. The best accuracy of prediction (i.e. the lower SEP and the higher correlation coefficient) for fat, protein and lactose was obtained for equations, developed when using only “healthy” samples, with low SCC. The standard error of prediction increased and correlation coefficient decreased significantly when equations for low SCC milk were used to predict examined components in “mastitis” samples with high SCC, and vice versa. Combined data set that included samples from healthy and mastitis animals could be used to build up regression models for screening. Further use of separate model for healthy samples improved milk composition measurement. Regression vectors for NIR mild protein measurement obtained for “healthy” and “mastitic” group were compared and revealed differences in 1390-1450 nm, 1500-1740 nm and 1900-2200 nm regions and thus illustrated post-secretory breakdown of milk proteins by hydrolytic enzymes that occurred with mastitis. For the first time it has been found that monitoring the spectral differences in water bands at 1440 nm and 1912 nm could provide valuable information for inflammation diagnosis.

• 한국환경과학회지
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• 제10권6호
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• pp.431-436
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• 2001

Variations in phytoplankton concentrations result from changes of the ocean color caused by phytoplankton pigments. Thus, ocean spectral reflectance for low chlorophyll waters are blue and high chlorophyll waters tend to have green reflectance. In the Korea region, clear waters and the open sea in the Kuroshio regions of the East China Sea have low chlorophyll. As one moves even closer In the northwestern part of the East China Sea, the situation becomes much more optically complicated, with contributions not only from higher concentration of phytoplankton, but also from sediments and dissolved materials from terrestrial and sea bottom sources. The color often approaches yellow-brown in the turbidity waters (Case Ⅱ waters). To verify satellite ocean color retrievals, or to develop new algorithms for complex case Ⅱ regions requires ship-based studies. In this study, we compared the chlorophyll retrievals from NASA's SeaWiFS sensor with chlorophyll values determined with standard fluorometric methods during two cruises on Korean NFRDI ships. For the SeaWiFS data, we used the standard NASA SeaWiFS algorithm to estimate the chlorophyll_a distribution around the Korean waters using Orbview/ SeaWiFS satellite data acquired by our HPRT station at NFRDl. We studied In find out the relationship between the measured chlorophyll_a from the ship and the estimated chlorophyll_a from the SeaWiFs satellite data around the northern part of the East China Sea, in February, and May, 2000. The relationship between the measured chlorophyll_a and the SeaWiFS chlorophyll_a shows following the equations (1) In the northern part of the East China Sea. Chlorophyll_a =0.121Ln(X) + 0.504, R²= 0.73 (1) We also determined total suspended sediment mass (55) and compared it with SeaWiFS spectral band ratio. A suspended solid algorithm was composed of in-.situ data and the ratio (L/sub WN/(490 ㎚)L/sub WN/(555 ㎚) of the SeaWiFS wavelength bands. The relationship between the measured suspended solid and the SeaWiFS band ratio shows following the equation (2) in the northern part of the East China Sea. SS = -0.703 Ln(X) + 2.237, R²= 0.62 (2) In the near future, NFRDI will develop algorithms for quantifying the ocean color properties around the Korean waters, with the data from regular ocean observations using its own research vessels and from three satellites, KOMPSAT/OSMl, Terra/MODIS and Orbview/SeaWiFS.

• 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.

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