• 한국식품저장유통학회지
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• 제12권6호
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• pp.608-612
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• 2005

친환경적이면서 신속한 비파괴 분석방법인 FT-NIR를 이용하여 백미의 총식이섬유(TDF)함량 예측모델을 개발하였다. 백미는 국내산으로 전남지방에서 재배된 47개 품종과, 시중 유통 중인 13개 브랜드 미에 대해서 AOAC 방법에 준한 효소법에 의해 TDF 함량을 분석하였다. 습식 분석된 TDF함량의 범위는 $1.17-1.92\%$ 이었다. FT-NIR로 측정된 스펙트럼의 검량식은 빛의 산란 효과를 최소화하기 위해 수학적 처리를 하였고, 몇 개의 특정 파장이 아닌 전 파장 영역(1,000-2,500 nm)에 대해서 PLS법으로 작성하였다. 얻어진 검량식의 정확도는 상관계수(r), SEE 및 SEP로 확인하였다. 백미 중 총 식이섬유 함량에 대한 회귀분석을 행한 결과, 검량식의 r은 0.9705, SEE는 0.0464, 검증식의 bias는 -0.0006, SEP가0.0604로 측정 정확도가 우수하여 실제 적용이 가능함을 보여주었다.

• 농업과학연구
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• 제39권1호
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• pp.111-116
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• 2012

Nondestructive evaluation of seed viability is one of the highly demanding technologies for seed production industry. Conventional seed sorting technologies, such as tetrazolium and standard germination test are destructive, time consuming, and labor intensive methods. Near infrared spectroscopy technique has shown good potential for nondestructive quality measurements for food and agricultural products. In this study, FT-NIR spectroscopy was used to classify normal and artificially aged lettuce seeds. The spectra with the range of 1100~2500 nm were scanned for lettuce seeds and analyzed using the principal component analysis(PCA) method. To classify viable seeds from nonviable seeds, a calibration modeling set was developed with a partial least square(PLS) method. The calibration model developed from PLS resulted in 98% classification accuracy with the Savitzky-Golay $1^{st}$ derivative preprocessing method. The prediction accuracy for the test data set was 93% with the MSC(Multiplicative Scatter Correction) preprocessing method. The results show that FT-NIR has good potential for discriminating non-viable lettuce seeds from viable ones.

• 농업과학연구
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• 제28권2호
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• pp.116-124
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• 2001

종래의 화학적 방법에 의한 일반 분석으로 수분, 전분, 회분, 조섬유, 칼슘, 마그네슘 등의 성분 분석 결과 수치와 근적외 분광 분석기를 이용하여 검량선을 작성한 결과, 결정계수 ($R^2$)는 전분(0.951), 칼슘(0.933), 수분(0.918), 회분(0.897), 조섬유(0.728), 마그네슘(0.390)의 순으로 높았고, 조섬유와 마그네슘의 경우는 결정계수 값이 다소 떨어지는 경향이 있었지만, 기존의 분석 방법과 유사한 경우를 얻었다. 향후 계속적인 시료의 보강과 모집단 분석을 이용한 체계적인 확충을 통해 얻어진 개량된 검증식을 사용하게 된다면 앞으로 수삼의 분석을 효과적으로 수행할 수 있을 것으로 사료된다.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1253-1253
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• 2001

The ability to accurately assess wine quality is important during the wine making process, particularly when allocating batches of wines to styles determined by consumer requirements. Grape payments are often determined by the quality category of the wine that is produced from them. Wine quality, in terms of sensory characteristics, is normally a subjective measure, performed by experienced winemakers, wine competition judges or winetasting panellists. By nature, such assessments can be biased by individual preferences and may be subject to day-to-day variation. Taste and aroma compounds are often present in concentrations below the detection limit of near infrared (NIR) spectroscopy but the more abundant organic compounds offer potential for objective quality grading by this technique. Samples were drawn from one of Australia's major wine shows and from BRL Hardy's post-vintage wine quality allocation tastings. The samples were scanned in transmission mode with a FOSS NIR Systems 6500, over the wavelength range 400-2500 ㎚. Data analysis was performed with the Vision chemometrics package. With samples from the allocation tastings, the best correlations between NIR spectra and tasting data were obtained with dry red wines. These calibrations used loadings in the wavelengths related to anthocyanins, ethanol and possibly tannins. Anthocyanins are a group of compounds responsible for colour in red wines - restricting the wavelengths to those relating to anthocyanins produced calibrations of similar accuracy to those using the full wavelength range. This was particularly marked with Merlot, a variety that tends to have relatively lower anthocyanin levels than Cabernet Sauvignon and Shiraz. For dry white wines, calibrations appeared to be more dependent on ethanol characteristics of the spectrum, implying that quality correlated with fruit maturity. The correlations between NIR spectra and sensory data obtained using the wine show samples were less significant in general. This may be related to the fact that within most classes in the show, the samples may span vintages, glowing areas and winemaking styles, even though they may be made from only one grape variety. For dry red wines, the best calibrations were obtained with a class of Pinot Noir - a variety that tends to be produced in limited areas in Australia and would represent the least matrix variation. Good correlations were obtained with a tawny port class - these wines are sweet, fortified wines, that are aged for long periods in wooden barrels. During the ageing process Maillard browning compounds are formed and the water is lost through the barrels in preference to ethanol, producing “concentrated” darkly coloured wines with high alcohol content. These calibrations indicated heaviest loadings in the water regions of the spectrum, suggesting that “concentration” of the wines was important, whilst the visible and alcohol regions of the spectrum also featured as important factors. NIR calibrations based on sensory scores will always be difficult to obtain due to variation between individual winetasters. Nevertheless, these results warrant further investigation and may provide valuable Insight into the main parameters affecting wine quality.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1091-1091
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• 2001

Previous reports have shown that Near Infrared Spectroscopy (NIRS) can be used to assess physical and chemical properties of flax fibre and fabric quality. Currently, spinners assess yarn quality mainly based on strength and regularity measurements. There two key characteristics are influenced by quality of raw fibres used, especially the degree of rotting and strength. The aim of this investigation was to evaluate the use of NIRS for assessing quality of weft grade yarn available on the commercial market. In order to develop the NIR calibrations, a range of samples representing poor, medium and good quality weft yarn samples was included in the calibration and validation sample sets. The samples were analysed for physical and chemical parameters including caustic weight loss, fibre fractions, lipid, ash and minerals. A detailed protocol for assessing yarn quality has been developed to maximize the accuracy of the reflectance spectra. The development of partial least squares regression models and validation of the calibration equations using blind samples will be presented and discussed.

• Journal of Biosystems Engineering
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• 제41권1호
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• pp.51-59
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• 2016

Purpose: This study examined the performance of two spectroscopy methods and multivariate classification methods to discriminate viable pepper seeds from their non-viable counterparts. Methods: A classification model for viable seeds was developed using partial least square discrimination analysis (PLS-DA) with Fourier transform near-infrared (FT-NIR) and Raman spectroscopic data in the range of $9080-4150cm^{-1}$ (1400-2400 nm) and $1800-970cm^{-1}$, respectively. The datasets were divided into 70% to calibration and 30% to validation. To reduce noise from the spectra and compare the classification results, preprocessing methods, such as mean, maximum, and range normalization, multivariate scattering correction, standard normal variate, and $1^{st}$ and $2^{nd}$ derivatives with the Savitzky-Golay algorithm were used. Results: The classification accuracies for calibration using FT-NIR and Raman spectroscopy were both 99% with first derivative, whereas the validation accuracies were 90.5% with both multivariate scattering correction and standard normal variate, and 96.4% with the raw data (non-preprocessed data). Conclusions: These results indicate that FT-NIR and Raman spectroscopy are valuable tools for a feasible classification and evaluation of viable pepper seeds by providing useful information based on PLS-DA and the threshold value.

• Near Infrared Analysis
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• 제1권1호
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• pp.31-35
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• 2000

Near-infrared reflectance spectroscopy(NIRS) was used to determine the humic acids in soil samples from the fields of different crops and land-use over Youngnam and Honam regions in Korea. An InfraAlyzer 500 scanning spectrophotometer was obtained near infrared relectance spectra of soil at 2-nm intervals from 1100 to 2500nm. Multiple linear regression(MLR) or partial least square regression (PLSR) was used to evaluate a NIRS method for the rapid and nondestructive determination of humic acid, fulvic acid and its total contents in soils. The raw spectral data(log 1/R) can be used for estimating humic acid, fulvic acid and its total contents in soil by MLR procedure between the content of a given constituent and the spectral response of several bands. In which the predicted results for fulvic acid is the best in the constituents. The new spectral data are converted from the raw spectra by PLSR method such as the first derivative of each spectrum can also be used to predict humic acid and fulvic acid of the soil samples. A low SEC, SEP and a high coefficient of correlation in the calibration and validation stages enable selection of the best manipulation. But a simple calibration and prediction method for determining humic acid and fulvic acid should be selected under similar accuracy and precision of prediction. NIRS technique may be an effective method for rapid and nondestructive determination for humic acid, fulvic acid and its total contents in soils.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1618-1618
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• 2001

Predicting quality traits using near infrared (NIR) spectroscopy on whole grain samples has gained wide acceptance as a non-destructive, rapid and cost effective technique. Barley breeding programs throughout southern Australia currently use this technology as a tool for selecting malting quality lines. For the past 3 years whole grain barley calibrations have been developed at VIDA to predict malting quality traits in the early generation selections of the breeding program. More recently calibrations for whole grain malt have been developed and introduced to aid in selecting malted samples at the mid-generation stage for more complex malting quality traits. Using the same population set, barley and malt calibrations were developed to predict hot water extracts (EBC and IoB), diastatic power, free $\alpha$-amino nitrogen, soluble protein, wort $\beta$-glucan and $\beta$-glucanase. The correlation coefficients between NIR predicted values and laboratory methods for malt were all highly significant ($R^2$ > 0.84), whereas the correlation coefficients for the barley calibrations were lower ($R^2$ > 0.57) but still significant. The magnitude of the error in predicting hot water extract, diastatic power and wort $\beta$-glucan using whole grain malt was reduced by 50% when compared with predicting the same trait using whole grain barley. This can be explained by the complex nature of attempting to develop calibrations on whole grain barley utilizing malt data. During malting, the composition of barley is modified by the action of enzymes throughout the steeping and germination stages and by heating during the kilning stage. Predicting malting quality on whole grain malt is a more reliable alternative to predicting whole grain barley, although there is the added expense of micro-malting the samples. The ability to apply barley and malt calibrations to different generations is an advantage to a barley breeding program that requires thousands of samples to be assessed each year.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1127-1127
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• 2001

The transfer of predictive models using various chemometric techniques has been reported for FTNIR and scanning-grating based NIR instruments with respect relatively dry samples (<10% water). Some of the currently used transfer techniques include slope and bias correction (SBC), direct standardization (DS), piecewise direct standardization (PDS), orthogonal signal correction (OSC), finite impulse transform (FIR) and wavelet transform (WT) and application of neural networks. In a previous study (Greensill et at., 2001) on calibration transfer for wet samples (intact melons) across silicon diode array instrumentation, we reported on the performance of various techniques (SBC, DS, PDS, double window PDS (DWPDS), OSC, FIR, WT, a simple photometric response correction and wavelength interpolative method and a model updating method) in terms of RMSEP and Fearns criterion for comparison of RMSEP. In the current study, we compare these melon transfer results to a similar study employing pairs of spectrometers for non-invasive prediction of soluble solid content of peaches.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1011-1011
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• 2001

In general, NIR reflectance spectra (whether recorded using log(1/R) or the Kubelka-Munk function) are not linear functions of the concentration of the absorbers which we are measuring. There are several causes for this non-linearity, the most commonly cited one being front surface reflection. However, non-linearity also arises from the effects of particle size, sample thickness, void fraction, and experimental arrangement. In this talk, we will attempt to isolate the effects of the various causes, and show the effects of each, using both theoretical calculations and actual data. The listener should then be able to assess where we stand in our quest to produce “linear” data through pre-processing and/or alternate collection schemes.