• Korean Journal of Soil Science and Fertilizer
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• v.45 no.4
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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.

• Analytical Science and Technology
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• v.15 no.2
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• pp.102-107
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• 2002

This paper describes a rapid determination of phenobarbital in intact phenobarbital tablets using partial least squares regression(PLSR) method of transmittance spectrum of near infrared (NIR) compared with the analytical data of liquid chromatograpy. The linearity, concentration range and precision of this analytical method are studied. The correlation coefficient of the calibration curve is 0.9983 and the standard error of calibration(SEC) is 0.14 %. Intra-day precision and Inter-day precision obtained in this method are CV = 0.45, CV =0.56, respectively.

• Journal of Biosystems Engineering
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• v.43 no.3
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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.

• Journal of the Korean Society of Food Culture
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• v.32 no.2
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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.

• Journal of Animal Environmental Science
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• v.20 no.3
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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.

• Proceedings of the KSRS Conference
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• 2009.03a
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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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• v.39 no.2
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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.

• Korean Journal of Agricultural Science
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• v.50 no.4
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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.

• Korean Journal of Remote Sensing
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• v.33 no.5_1
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• pp.559-570
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• 2017

A partial least squares regression (PLSR) model was developed to map the internal soluble solids content (SSC) of apples using a ground-based hyperspectral scanner that could simultaneously acquire outdoor data and capture images of large quantities of apples. We evaluated the applicability of various preprocessing techniques to construct an optimal prediction model and calculated the optimal band through a variable importance in projection (VIP)score. From the 515 bands of hyperspectral images extracted at wavelengths of 360-1019 nm, 70 reflectance spectra of apples were extracted, and the SSC ($^{\circ}Brix$) was measured using a digital photometer. The optimal prediction model wasselected considering the root-mean-square error of cross-validation (RMSECV), root-mean-square error of prediction (RMSEP) and coefficient of determination of prediction $r_p^2$. As a result, multiplicative scatter correction (MSC)-based preprocessing methods were better than others. For example, when a combination of MSC and standard normal variate (SNV) was used, RMSECV and RMSEP were the lowest at 0.8551 and 0.8561 and $r_c^2$ and $r_p^2$ were the highest at 0.8533 and 0.6546; wavelength ranges of 360-380, 546-690, 760, 915, 931-939, 942, 953, 971, 978, 981, 988, and 992-1019 nm were most influential for SSC determination. The PLSR model with the spectral value of the corresponding region confirmed that the RMSEP decreased to 0.6841 and $r_p^2$ increased to 0.7795 as compared to the values of the entire wavelength band. In this study, we confirmed the feasibility of using a hyperspectral scanner image obtained from outdoors for the SSC measurement of apples. These results indicate that the application of field data and sensors could possibly expand in the future.

• Journal of the Korean Chemical Society
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• v.49 no.6
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• pp.531-536
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• 2005