• Journal of Preventive Medicine and Public Health
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• 제39권2호
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• pp.165-170
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• 2006

Objectives : The determination of oxalate in urine is required for the diagnosis and treatment of primary hyperoxaluria, idiopathic stone disease and various intestinal diseases. We examined the possibility of using Fourier transform near-infrared (FT-NIR) spectroscopy analysis to quantitate urinary oxalate. The practical advantages of this method include ease of the sample preparation and operation technique, the absence of sample pre-treatments, rapid determination and noninvasiveness. Methods : The range of oxalate concentration in standard urine solutions was $0-221mg/{\ell}$. These 80 different samples were scanned in the region of 780-1,300 nm with a 0.5 nm data interval by a Spectrum One NTS FT-NIR spectrometer. PCR, PLSR and MLR regression models were used to calculate and evaluate the calibration equation. Results : The PCR and PLSR calibration models were obtained from the spectral data and they are exactly same. The standard error of estimation (SEE) and the % variance were $10.34mg/{\ell}$ and 97.86%, respectively. After full cross validation of this model, the standard error of estimation was $5,287mg/{\ell}$, which was much smaller than that of the pre-validation. Furthermore, the MCC (multiple correlation coefficient) was 0.998, which was compatible with the 0.923 or 0.999 obtained from the previous enzymatic methods. Conclusions : These results showed that FT-NIR spectroscopy can be used for rapid determination of the concentration of oxalate in human urine samples.

• Journal of Biosystems Engineering
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• 제38권4호
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• pp.312-317
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• 2013

Purpose: Conventional methods used to evaluate seeds viability are destructive, time consuming, and require the use of chemicals, which are not feasible to implement to process plant in seed industry. In this study, the effectiveness of Fourier transform near infrared (FT-NIR) spectroscopy to differentiate between viable and nonviable watermelon seeds was investigated. Methods: FT-NIR reflectance spectra of both viable and non-viable (aging) seeds were collected in the range of 4,000 - 10,000 $cm^{-1}$ (1,000 - 2,500 nm). To differentiate between viable and non-viable seeds, a multivariate classification model was developed with partial least square discrimination analysis (PLS-DA). Results: The calibration and validation set derived from the PLS-DA model classified viable and non-viable seeds with 100% accuracy. The beta coefficient of PLS-DA, which represented spectral difference between viable and non-viable seeds, showed that change in the chemical component of the seed membrane (such as lipids and proteins) might be responsible for the germination ability of the seeds. Conclusions: The results demonstrate the possibility of using FT-NIR spectroscopy to separate seeds based on viability, which could be used in the development of an online sorting technique.

• 한국식품과학회지
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• 제38권2호
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• pp.165-168
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• 2006

분석이 번거로웠던 현미의 총 식이섬유(TDF) 함량을 신속하면서도 친 환경적인 비파괴 분석방법인 FT-NIRS를 이용하여 예측 모델을 개발하였다. 현미는 국내산으로 전남 지방에서 재배된 47개 품종(516개 시료)에 대해서 AOAC 방법에 준한 효소법에 의해 각 측정 시료별 TDF 함량을 분석하였다. 습식 분석된 TDF 함량의 분석오차범위는 0.17-0.72% 이었다. FT.NIRS로 측정된 스렉트럼의 검량식은 빛의 산란 효과를 최소화하기 위해 수학적 처리를 하였고, 몇 개의 특정 파장이 아닌 전 파장 영역(1,000-2,500nm)에 대해서 PLS법으로 작성하였다 회귀분석과 검량식은 NIRCal chemometric software에 의해 작성되었다. 얻어진 검량식의 정확도는 상관계수(r), SEE 및 SEP로 확인하였다. 현미 중 총 식이섬유 함량에 대한 회귀분석을 행한 결과, 상관계수는 0.9780, SEE는 0.0636, SEP는 0.0642로 측정 정확도가 우수함으로 현장 적용을 위한 실용화도 가능할 것으로 판단된다.

• 한국세라믹학회지
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• 제49권6호
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• pp.493-497
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• 2012

We propose a new reliable, fast, and low cost identification method for similarly looking 0.3ct vivid yellow color of natural, HPHT treated, and synthesized diamonds. Conventional optical microscopy as well as low temperature PL(photoluminescence), FT-IR, UV-VIS-NIR, micro-Raman spectroscopy, and vibrating sample magnetometry(VSM) characterization were executed. We could not distinguish the natural diamonds from the treated or the synthesized stones with an optical microscopy, PL, FT-IR, and UV-VIS-NIR spectroscopy. However, we could identify the treated diamond with micro-Raman spectroscopy due to unique $1440cm^{-1}$ peak appearance. VSM revealed easily the synthesized diamond because of its ferromagnetic behavior. Our preliminary propose on employing the Micro-Raman spectroscopy and VSM might be suitable for identification of the similar looking vivid yellow colored diamonds.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1628-1628
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• 2001

Near infrared (NIR) spectroscopy is a powerful technique for non-destructive analysis that can be obtained in a wide range of environments. Recently, NIR measurements have been utilized as probe for quantitative analysis in agricultural, industrial, and medical sciences. In addition, it is also possible to make practical application on NIR for molecular structural analysis. In this work, Fourier transform near infrared (FT-NIR) measurements were carried out to utilize extensively in the relative amounts of different secondary structures were employed, such as Iysozyme, concanavalin A, silk fibroin and so on. Several broad NIR bands due to the protein absorption were observed between 4000 and $5000\;^{-1}$. In order to obtain more structural information from these featureless bands, second derivative and Fourier-self-deconvolution procedures were performed. Significant band separation was observed near the feature at $4610\;^{-1}$ ,. Particularly the peak intensity at $4525\;^{-1}$ shows a characteristic change with thermal denaturation of fibroin. The structural information can be also obtained by mid-IR and CD spectral. Correlation of NIR spectra with protein structure is discussed.

• 분석과학
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• 제11권6호
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• pp.448-451
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• 1998

납사 그랙킹 공정과정에서 사용되는 caustic 농도와 부산물로 형성되는 $Na_2CO_3$, $Na_2S$ 농도를 신속하고 정확하게 분석할 수 있는 검량법의 개발과 근적외선 분광기의 적용가능성에 대하여 연구하였다. 주성분 회귀분석을 이용한 검량법과 근적외선 분광기의 조합은 현재 사용되고 있는 습식 적정법의 대체 분석법으로 빠르고 비파괴적으로 적용 가능한 기기이며, 0.1 표준예측오차의 정밀한 분석을 할 수 있다.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1051-1051
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• 2001

In 1989, at the 2nd ICNIRS Meeting in Tsukuba, I projected certain directions for NIR technology would take in the future. Among those projections were: (1) An inrush of companies producing FT-NIR instruments. (2) Hybrid NIR Systems (3) Hand-held NIR Technology. All three thrusts have resulted in numerous commercial offerings over the last 12 years Hand-held technology for all fields is growing at an astonishing rate. To date, NIR work at North Carolina State University has produced four (4) hand-held NIR units for: (1) Nicotine and Moisture in tobacco, (2) Vanillin and Moisture in Vanilla Beans, (3) Protein, Moisture and Nitrogen in plant tissue, (4) Chlorophyll and Moisture in Growing Plants: A NIR Spectrometer for Developing Countries. This paper will discuss these developments, including design and performance data.

• Journal of Biosystems Engineering
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• 제41권3호
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• pp.208-220
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• 2016

Purpose: Fusel oil is a potent volatile aroma compound found in many alcoholic beverages. At low concentrations, it makes an essential contribution to the flavor and aroma of fermented alcoholic beverages, while at high concentrations, it induced an off-flavor and is thought to cause undesirable side effects. In this work, we introduce Fourier transform near-infrared (FT-NIR) spectroscopy as a rapid and nondestructive technique for the quantitative determination of fusel oil in the Korean alcoholic beverage "soju". Methods: FT-NIR transmittance spectra in the 1000-2500 nm region were collected for 120 soju samples with fusel oil concentrations ranging from 0 to 1400 ppm. The calibration and validation data sets were designed using data from 75 and 45 samples, respectively. The net analyte signal (NAS) was used as a preprocessing method before the application of the partial least-square regression (PLSR) and principal component regression (PCR) methods for predicting fusel oil concentration. A novel variable selection method was adopted to determine the most informative spectral variables to minimize the effect of nonmodeled interferences. Finally, the efficiency of the developed technique was evaluated with two different validation sets. Results: The results revealed that the NAS-PLSR model with selected variables ($R^2_{\upsilon}=0.95$, RMSEV = 100ppm) did not outperform the NAS-PCR model (($R^2_{\upsilon}=0.97$, RMSEV = 7 8.9ppm). In addition, the NAS-PCR shows a better recovery for validation set 2 and a lower relative error for validation set 3 than the NAS-PLSR model. Conclusion: The experimental results indicate that the proposed technique could be an alternative to conventional methods for the quantitative determination of fusel oil in alcoholic beverages and has the potential for use in in-line process control.

• 한국세라믹학회지
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• 제51권4호
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• pp.350-356
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• 2014

Recently, Chemical Vapor Deposition (CVD) synthetic diamonds have been introduced to the jewelry gem market, as CVD technology has been making considerable advances. Unfortunately, CVD diamonds are not distinguishable from natural diamonds when using the conventional gemological characterization method. Therefore, we need to develop a new identification method that is non-destructive, fast, and inexpensive. In our study, we employed optical microscopy and spectroscopy techniques, including Fourier transform infra-red (FT-IR), UV-VIS-NIR, photoluminescence (PL), micro Raman, and cathodoluminescent (CL) spectroscopy, to determine the differences between a natural diamond (0.30 cts) and a CVD diamond (0.43 cts). The identification of a CVD diamond was difficult when using standard gemological techniques, UV-VIS-NIR, or micro-Raman spectroscopy. However, a CVD diamond could be identified using a FT-IR by the Type II peaks. In addition, we identified a CVD diamond conclusively with the uneven UV fluorescent local bands, additional satellite PL peaks, longer phosphorescence life time, and uneven streaks in the CL images. Our results suggest that using FT-IR combined with UV fluorescent images, PL, and CL analysis might be an appropriate method for identifying CVD diamonds.

• Food Science and Biotechnology
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• 제16권3호
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• pp.477-481
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• 2007

Fourier transform near-infrared (FT-NIR) spectroscopy and partial least squares (PLS) regression were used to predict the amylose content of polished rice. Spectral reflectance data in a wavelength range of 1,000 to 2,500 nm were obtained with a commercial spectrophotometer for 60 different varieties of Korean rice. For a comparison of this spectroscopic method to a standard chemical analysis, the amylose contents of the tested rice samples were determined by the iodine-blue colorimetric method. The highest correlation for the rice amylose ($R^2=0.94$, standard error of prediction=0.20% amylose content) was obtained when using the FT-NIR spectrum data pre-treated with normalization, the first derivative, smoothing, and scattering correction.