• Title/Summary/Keyword: 2nd derivative spectrum

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Nondestructive Measurement of Sugar.Acid Contents in Fruits Using Spectral Reflectance (분광 반사 특성을 이용한 주요 과실의 비파괴 당.산도 측정)

  • 노상하;김우기;이종환
    • Journal of Biosystems Engineering
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    • v.22 no.2
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    • pp.247-255
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    • 1997
  • This study was conducted to develop regression models predicting sugar and acid contents in intact fruits nondestructively by using the second derivative of absorbance spectrum measured with a spectrophotometer wavelength range of 400nm to 2, 400nm. The correlation analysis was made in wavelength range of 600nm to 1, 100nm and 600nm to 2, 400nm respectively, in order to examine the feasibility of using a real time spectrophotometer, which covers the former range, in predicting sugar and acid contents. The second derivative data of the spectrum were obtained by varying smoothing size and derivative size of the original absorbance spectrum. SAS statistical package program was used for the regression analysis. The sugar contents of Fuji apple, Shingo pear md Yumyung peach could be predicted with SEPs of 0.40, 1.17 and 0.77 respectively, in the spectrum range of 600 to 1, 100nm. The highest correlation coefficient of the titratible acidity of apple was -0.45 at 2, 346nm and regression models indicated determination coefficient less than 0.47.

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Determination of Color Value (L, a, b) in Green Tea Using Near-Infrared Reflectance Spectroscopy (근적외 분광분석법을 이용한 녹차의 색도 분석)

  • Lee, Min-Seuk;Choung, Myoung-Gun
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.53 no.spc
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    • pp.108-114
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    • 2008
  • Near infrared spectroscopy (NIRS) is a rapid and accurate analytical method for determining the composition of agricultural products and feeds. The applicability of near infrared reflectance spectroscopic method was tested to determine the color value (L, a, b) of green tea. A total of 162 green tea calibration samples and 82 validation samples were used for NIRS equation development and validation, respectively. In the developed NIRS equation for analysis of the color value (L, a, b), the most accurate equation for L value was obtained at 2, 8, 6, 1 (2nd derivative, 8 nm gap, 6 points smoothing, and 1pointsecond smoothing), and for a, and b value were obtained at 1, 4, 4, 1 (1st derivative, 4 nm gap, 4points smoothing, and 1 point second smoothing) math treatment condition with SNVD (Standard Normal Variate and Detrend) scatter correction method and entire spectrum ($400{\sim}2,500\;nm$) by using MPLS (Modified Partial Least Squares) regression. Validation results of these NIRS equations showed very low bias (L: 0.005%, a: 0.003%, b: -0.013%) and standard error of prediction (SEP, L: 0.361%, a: 0.141%, b: 0.306%) as well as high coefficient of determination ($R^2$, L: 0.905, a: 0.986, b: 0.931). Therefore, these NIRS equations can be applicable and reliable for determination of color value (L, a, b) of green tea, and NIRS method could be used as a mass screening technique for breeding programs and quality control in the green tea industry.

Determination of Protein and Oil Contents in Soybean Seed by Near Infrared Reflectance Spectroscopy

  • Choung, Myoung-Gun;Baek, In-Youl;Kang, Sung-Taeg;Han, Won-Young;Shin, Doo-Chull;Moon, Huhn-Pal;Kang, Kwang-Hee
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.46 no.2
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    • pp.106-111
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    • 2001
  • The applicability of near infrared reflectance spectroscopy(NIRS) was tested to determine the protein and oil contents in ground soybean [Glycine max (L.) Merr.] seeds. A total of 189 soybean calibration samples and 103 validation samples were used for NIRS equation development and validation, respectively. In the NIRS equation of protein, the most accurate equation was obtained at 2, 8, 6, 1(2nd derivative, 8 nm gap, 6 points smoothing and 1 point second smoothing) math treatment condition with SNV-D (Standard Normal Variate and Detrend) scatter correction method and entire spectrum by using MPLS (Modified Partial Least Squares) regression. In the case of oil, the best equation was obtained at 1, 4, 4, 1 condition with SNV-D scatter correction method and near infrared (1100-2500nm) region by using MPLS regression. Validation of these NIRS equations showed very low bias (protein:-0.016%, oil : -0.011 %) and standard error of prediction (SEP, protein: 0.437%, oil: 0.377%) and very high coefficient of determination ($R^2$, protein: 0.985, oil : 0.965). Therefore, these NIRS equation seems reliable for determining the protein and oil content, and NIRS method could be used as a mass screening method of soybean seed.

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Near infrared spectroscopy for classification of apples using K-mean neural network algorism

  • Muramatsu, Masahiro;Takefuji, Yoshiyasu;Kawano, Sumio
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1131-1131
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    • 2001
  • To develop a nondestructive quality evaluation technique of fruits, a K-mean algorism is applied to near infrared (NIR) spectroscopy of apples. The K-mean algorism is one of neural network partition methods and the goal is to partition the set of objects O into K disjoint clusters, where K is assumed to be known a priori. The algorism introduced by Macqueen draws an initial partition of the objects at random. It then computes the cluster centroids, assigns objects to the closest of them and iterates until a local minimum is obtained. The advantage of using neural network is that the spectra at the wavelengths having absorptions against chemical bonds including C-H and O-H types can be selected directly as input data. In conventional multiple regression approaches, the first wavelength is selected manually around the absorbance wavelengths as showing a high correlation coefficient between the NIR $2^{nd}$ derivative spectrum and Brix value with a single regression. After that, the second and following wavelengths are selected statistically as the calibration equation shows a high correlation. Therefore, the second and following wavelengths are selected not in a NIR spectroscopic way but in a statistical way. In this research, the spectra at the six wavelengths including 900, 904, 914, 990, 1000 and 1016nm are selected as input data for K-mean analysis. 904nm is selected because the wavelength shows the highest correlation coefficients and is regarded as the absorbance wavelength. The others are selected because they show relatively high correlation coefficients and are revealed as the absorbance wavelengths against the chemical structures by B. G. Osborne. The experiment was performed with two phases. In first phase, a reflectance was acquired using fiber optics. The reflectance was calculated by comparing near infrared energy reflected from a Teflon sphere as a standard reference, and the $2^{nd}$ derivative spectra were used for K-mean analysis. Samples are intact 67 apples which are called Fuji and cultivated in Aomori prefecture in Japan. In second phase, the Brix values were measured with a commercially available refractometer in order to estimate the result of K-mean approach. The result shows a partition of the spectral data sets of 67 samples into eight clusters, and the apples are classified into samples having high Brix value and low Brix value. Consequently, the K-mean analysis realized the classification of apples on the basis of the Brix values.

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Non-destructive Method for Selection of Soybean Lines Contained High Protein and Oil by Near Infrared Reflectance Spectroscopy

  • Choung, Myoung-Gun;Baek, In-Youl;Kang, Sung-Taeg;Han, Won-Young;Shin, Doo-Chull;Moon, Huhn-Pal;Kang, Kwang-Hee
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.46 no.5
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    • pp.401-406
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    • 2001
  • The applicability of non-destructive near infrared reflectance spectroscopic (NIRS) method was tested to determine the protein and oil contents of intact soybean [Glycine max (L.) Merr.] seeds. A total of 198 soybean calibration samples and 101 validation samples were used for NIRS equation development and validation, respectively. In the developed non-destructive NIRS equation for analysis of protein and oil contents, the most accurate equation was obtained at 2, 8, 6, 1(2nd derivative, 8 nm gap, 6 points smoothing, and 1 point second smoothing) and 2, 1, 20, 10 math treatment conditions with Standard Normal Variate and Detrend (SNVD) scatter correction method and entire spectrum (400-2500 nm) by using Modified Partial Least Squares (MPLS) regression, respectively. Validation of these non-destructive NIRS equations showed very low bias (protein: 0.060%, oil: -0.017%) and standard error of prediction (SEP, protein: 0.568 %, oil : 0.451 %) as well as high coefficient of determination ($R^2$, protein: 0.927, oil: 0.906). Therefore, these non-destructive NIRS equations can be applicable and reliable for determination of protein and oil content of intact soybean seeds, and non-destructive NIRS method could be used as a mass screening technique for selection of high protein and oil soybean in breeding programs.

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PREDICTION OF PHYSICO-CHEMICAL AND TEXTURE CHARACTERISTICS OF BEEF BY NEAR INFRARED TRANSMITTANCE SPECTROSCOPY

  • Olivan, Mamen;Delaroza, Begona;Mocha, Mercedes;Martinez, Maria Jesus
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1256-1256
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    • 2001
  • The physico-chemical and texture characteristics of meat determine the nutritional, technological and sensory quality. However, the analysis of meat quality requires expensive, laborious and time consuming analytical methods. The objective of this study was to evaluate NIR spectroscopy using transmittance for determining the moisture, fat, protein and total pigment content, the water holding capacity (WHC) and the toughness of beef meat. A total of 318 spectra were recorded from ground beef samples by a Feed Analyzer 1265 of Infratec. The samples were obtained from the Longissimus muscle of the 10$^{th}$ rib of yearling bulls, ground with an electrical chopper, vacuum packaged, aged during 7 days and frozen at -24$^{\circ}C$ until the analyses were done. Moisture content was measured by oven drying at 10$0^{\circ}C$, fat content was determined by Soxhlet extraction and protein content was estimated from nitrogen content using the Kjeldahl analysis. The total pigment content was determined by the method of Hornsey and the WHC using the method of filter paper press. The instrumental evaluation of texture (maximum load WB, maximum stress MS and toughness) was conducted in an Instron equipment with a Warner-Bratzler shearing device. This analysis was performed on a chop of 3.5 cm obtained from the longissimus of the 8$^{th}$ rib, aged during 7 days, kept frozen at -24$^{\circ}C$ and cooked before the analysis. Near infrared spectra were recorded as log 1/T (T=transmittance) at 2 nm intervals from 850 to 1050 nm using a Feed Analyzer 1265 of Infratec. Calibrations were performed with the WinISI software (vs. 1.02) using the MPLS method. To examine the effect of scatter correction o. derivation of spectra on the calibration performance, calibrations were calculated with the crude spectra or pretreated with different mathematical treatments (inverse MSC, SNVD) and/or second derivative operation. For chemical composition, the use of the scatter corrections improved the calibration statistics, in terms of lower SECV and higher $r^2$. In most of the variables, the use of the 2$^{nd}$ derivative improved the predictions, mainly when combined with the SNVD treatment. However, for predicting the texture traits, the best estimation was obtained from the crude spectrum. These results showed that the equations obtained for predicting moisture, fat and total pigments were very accurate, with $r^2$ being higher that 0.9. However, the prediction of the texture traits (WB, MS, toughness) from ground meat was poor.

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Rancidity Prediction of Soybean Oil by Using Near-Infrared Spectroscopy Techniques

  • Hong, Suk-Ju;Lee, Ah-Yeong;Han, Yun-hyeok;Park, Jongmin;So, Jung Duck;Kim, Ghiseok
    • 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.