• 한국토양비료학회지
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• 제45권4호
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• pp.497-502
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• 2012

This study investigates the prediction of soil OM on Korean soils using the Visible-Near Infrared (Vis-NIR) spectroscopy. The ASD Field Spec Pro was used to acquire the reflectance of soil samples to visible to near-infrared radiation (350 to 2500 nm). A total of 503 soil samples from 61 Korean soil series were scanned using the instrument and OM was measured using the Walkley and Black method. For data analysis, the spectra were resampled from 500-2450 nm with 4 nm spacing and converted to the $1^{st}$ derivative of absorbance (log (1/R)). Partial least squares regression (PLSR) and regression rules model (Cubist) were applied to predict soil OM. Regression rules model estimates the target value by building conditional rules, and each rule contains a linear expression predicting OM from selected absorbance values. The regression rules model was shown to give a better prediction compared to PLSR. Although the prediction for Andisols had a larger error, soil order was not found to be useful in stratifying the prediction model. The stratification used by Cubist was mainly based on absorbance at wavelengths of 850 and 2320 nm, which corresponds to the organic absorption bands. These results showed that there could be more information on soil properties useful to classify or group OM data from Korean soils. In conclusion, this study shows it is possible to develop good prediction model of OM from Korean soils and provide data to reexamine the existing prediction models for more accurate prediction.

• 분석과학
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• 제15권2호
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• pp.102-107
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• 2002

근적외선 분광광도법 (near infrared spectroscopy, NIRS)를 이용하여 의약품의 신속 정확한 분석법을 개발하였다. 제조회사에 따라 약효성분이 같고 유사한 부형제를 갖고 있는 페노바르비탈정제에서 페노바르비탈을 액체크로마토그래피로 분석한 분석치와 투과방식의 NIRS 의 부분최소자승법(partial least squares regression, PLSR) 으로 얻은 데이터와의 상관관계를 이용하여 검정선을 얻었다. 이 방법의 직선성, 정량범위, 재현성 등을 검토하여 본 분석법의 정확성을 검증하였다. 검정선의 상관계수는 0.9983이고 검정의 표준오차(SEC)는 0.14% 이였으며, 이 분석법의 시간별 및 날자별 정밀도인 CV 값은 각 각 0.45%과 0.56% 이다.

• Journal of Biosystems Engineering
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• 제43권3호
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• pp.219-228
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• 2018

Purpose: This study evaluated the feasibility of a near-infrared spectroscopy technique for the rancidity prediction of soybean oil. Methods: A near-infrared spectroscopy technique was used to evaluate the rancidity of soybean oils which were artificially deteriorated. A soybean oil sample was collected, and the acid values were measured using titrimetric analysis. In addition, the transmission spectra of the samples were obtained for whole test periods. The prediction model for the acid value was constructed by using a partial least-squares regression (PLSR) technique and the appropriate spectrum preprocessing methods. Furthermore, optimal wavelength selection methods such as variable importance in projection (VIP) and bootstrap of beta coefficients were applied to select the most appropriate variables from the preprocessed spectra. Results: There were significantly different increases in the acid values from the sixth days onwards during the 14-day test period. In addition, it was observed that the NIR spectra that exhibited intense absorption at 1,195 nm and 1,410 nm could indicate the degradation of soybean oil. The PLSR model developed using the Savitzky-Golay $2^{nd}$ order derivative method for preprocessing exhibited the highest performance in predicting the acid value of soybean oil samples. onclusions: The study helped establish the feasibility of predicting the rancidity of the soybean oil (using its acid value) by means of a NIR spectroscopy together with optimal variable selection methods successfully. The experimental results suggested that the wavelengths of 1,150 nm and 1,450 nm, which were highly correlated with the largest absorption by the second and first overtone of the C-H, O-H stretch vibrational transition, were caused by the deterioration of soybean oil.

• 한국식생활문화학회지
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• 제32권2호
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• pp.150-161
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• 2017

This study was conducted to identify sensory characteristics of soy-meat samples by trained panels and to observe the relationship between these sensory characteristics and consumer acceptability of the samples. Descriptive analysis was performed on eight samples; four types of patty style soy-meat samples (Soy-meat Patty; SP) made with a Ddukgalbi recipe (YSP, VSP, LSP, and SSP) and four types of Bulgogi style soy-meat samples (Soy-meat Bulgogi; SB) made with a Bulgogi recipe (YSB, VSB, LSB, and SSB). Seven panelists were trained, and they evaluated the appearance, odor/aroma, flavor/taste, texture/mouth feel, and after taste attributes of these samples. Forty attributes were generated by panelists, and 37 attributes were significantly different across products (p<0.05). The SB group was characterized by beef, leek, and garlic flavor as well a sweetness, denseness, slipperiness, chewiness, and pepper after taste. The SP group was characterized by roughness, particle size, rancid oil flavor, raw bean flavor, astringent, sourness, and adhesiveness. Consumer test (n=125) showed that the VSB sample had the highest scores for acceptability of appearance, flavor, texture, and overall liking. The PLSR results show that the attributes that were more positively associated with acceptance of soy-meat samples were beef taste, wetness, and chewiness, whereas the raw bean smell and rancid oil flavor attributes were negative.

• 한국축산시설환경학회지
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• 제20권3호
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• pp.117-124
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• 2014

The objectives were to assess the use of near-infrared reflectance spectroscopy (NIRS) as a tool for estimating nutrient compositions of corn kernel, and to apply an NIRS-based indium gallium arsenide array detector to the system for collecting spectra and analyzing calibration equations using equipments designed for field application. Partial Least Squares Regression (PLSR) was employed to develop calibration equations based on representative data sets. The kennard-stone algorithm was applied to induce a calibration set and a validation set. As a result, the method for structuring a calibration set significantly affected prediction accuracy. The prediction of chemical composition of corn kernel resulted in the following (kennard-stone algorithm: relative) moisture ($R^2=0.82$, RMSEP=0.183), crude protein ($R^2=0.80$, RMSEP=0.142), crude fat ($R^2=0.84$, RMSEP=0.098), crude fiber ($R^2=0.74$, RMSEP=0.098), and crude ash ($R^2=0.81$, RMSEP=0.048). Result of this experiment showed the potential of NIRS to predict the chemical composition of corn kernel.

• 대한원격탐사학회:학술대회논문집
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• 대한원격탐사학회 2009년도 춘계학술대회 논문집
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• pp.121-125
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• 2009

농업과 환경분야에서 토양 상태를 신속하고 주기적으로 모니터링하는 것에 대한 관심이 높아지고 있다. 토양의 특성을 측정하는 기존의 화학분석 방식은 분석의 정밀도, 시료의 수, 분석항목 등에 따라 시간, 인력, 비용적 소모가 커진다. 최근에는 식품, 농업, 환경 분야에서 신속하고 비파괴적 분석 방법으로 가시 근적외선 분광학을 도입하고 있다. 가시 근적외선 영역(VNIR, 400-2400 nm)에는 다양한 물질의 고유한 흡수분광형태가 존재한다는 이론적 토대로부터 물질의 정성 정량적 분석이 가능하다고 알려져 있다. 본 연구에서는 VNIR 분광 스펙트럼으로부터 Al, organic carbon (OC), clay, silt, sand, CEC (Cation exchange capacity), CEC/clay 등의 토양 특성을 정량하고자 하였다. 농경지에서 채취한 94개 토양시료를 기존의 화학분석 방법으로 분석하고 실내에서 VNIR 스펙트럼을 측정하였다. 스펙트럼은 원시형태와, 1차, 2차 도함수로 변환된 형태 모두 partial least square regression (PLSR) 모델에 적용하였다. PLSR에 의한 토양특성 추정식은 RMSE, $R^2$, SDE, RPD 값을 이용하여 검증하였다. Al, OC, silt, sand 함량에 대해서는 통계적으로 유의한 수준의 추정값을 산출하였고, clay와 CEC/clay에 대해 추정한 값은 실측값과 약한 상관성을 나타내었다. 이러한 분광학적인 추정 기법은 영상을 이용한 정성 정량분석에 활용될 수 있을 것으로 사료된다.

• 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.

• 농업과학연구
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• 제50권4호
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• pp.675-696
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• 2023

Terpenoids, also referred to as terpenes, are a large family of naturally occurring chemical compounds present in the essential oils extracted from medicinal plants. In this study, a nondestructive methodology was created by combining ATR-FT-IR (attenuated total reflectance-Fourier transform infrared), and Raman spectroscopy for the terpenoids assessment in medicinal plants essential oils from ten different geographical locations. Partial least squares regression (PLSR) and support vector regression (SVR) were used as machine learning methodologies. However, a deep learning based model called as one-dimensional convolutional neural network (1D CNN) were also developed for models comparison. With a correlation coefficient (R²) of 0.999 and a lowest RMSEP (root mean squared error of prediction) of 0.006% for the prediction datasets, the SVR model created for FT-IR spectral data outperformed both the PLSR and 1 D CNN models. On the other hand, for the classification of essential oils derived from plants collected from various geographical regions, the created SVM (support vector machine) classification model for Raman spectroscopic data obtained an overall classification accuracy of 0.997% which was superior than the FT-IR (0.986%) data. Based on the results we propose that FT-IR spectroscopy, when coupled with the SVR model, has a significant potential for the non-destructive identification of terpenoids in essential oils compared with destructive chemical analysis methods.

• 대한원격탐사학회지
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• 제33권5_1호
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• pp.559-570
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• 2017

본 연구에서는 야외에서 자료 취득이 가능하며 한 번에 다량의 사과를 촬영할 수 있는 지상용 초분광 스캐너를 활용하여 사과의 분광정보와 당도와의 부분최소제곱회귀분석(PLSR, Partial Least Square Regression)을 수행하였으며, 최적의 예측모델을 구축하기 위한 다양한 전처리기법의 적용가능성을 평가하고 VIP(Variable Importance in Projection)점수를 통한 최적밴드를 산출하였다. 이를 위하여 360-1019 nm영역에서 촬영된 515밴드의 초분광 영상에서 70개의 분광곡선을 취득하였으며, 디지털광도계를 이용하여 당도($^{\circ}Brix$)를 측정하였다. 사과의 분광특성과 당도사이의 회귀모델을 구축하였으며, 최적의 예측모델은 모델 예측치와 실측치간의 결정계수($r_p^2$, coefficient of determination of prediction)와 RMSECV(Root Mean Square Error of Cross Validation), RMSEP(Root Mean Square Error of Prediction)등을 고려하여 선정하였다. 그 결과 산란보정 기법의 대표적인 MSC(Multiplicative Scatter Correction)의 기반의 전처리기법이 가장 효과적이었으며, MSC와 SNV(Standard Normal Variate)를 조합한 경우 RMSECV와 RMSEP가 각각 0.8551과 0.8561로 가장 낮았고, $r_c^2$와 $r_p^2$은 각각 0.8533과 0.6546으로 가장 높았다, 또한 360-380, 546-690, 760, 915, 931-939, 942, 953, 971, 978, 981, 988, 992-1019 nm 등이 당도 측정을 위한 가장 영향력 있는 파장영역으로 나타났다. 해당 영역의 분광값을 가지고 PLSR을 수행한 결과, 전파장대를 사용할 때보다 RMSEP가 0.6841로 감소하고 $r_p^2$는 0.7795로 증가하는 것을 확인하였다. 본 연구를 통하여 사과의 당도측정에 있어 야외에서 취득한 초분광 영상자료의 활용 가능성을 확인하였으며, 이는 필드자료 및 센서 활용분야의 확장가능성을 보여준다.

• 대한화학회지
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• 제49권6호
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• pp.531-536
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• 2005