• Title/Summary/Keyword: PLS Regression

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Compensation of Surface Temperature Effect in Determination of Sugar Content of Shingo Pears using NIR (근적외선을 이용한 신고 배 당도판정에 있어 표면 온도영향의 보정)

  • 이강진;최규홍;김기영;최동수
    • Journal of Biosystems Engineering
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    • v.27 no.2
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    • pp.117-124
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    • 2002
  • This research was conducted to develop a method to remove the effect of surface temperature of Shingo pears for sugar content measurement. Sugar content was measured by a near-infrared spectrum analysis technique. Reflected spectrum and sugar content of a pear were used for developing regression models. For the model development, reflected spectrums having wavelengths in the range of 654 to 1,052nm were used. To remove the effect of surface temperature, special sample preparation techniques and partial least square (PLS) regression models were proposed and tested. 71 Shingo pears stored in a cold storage, which had 2$^{\circ}C$ inside temperature, were taken out and left in a room temperature for a while. Temperature and reflected spectrum of each pear was measured. To increase the temperature distribution of samples, temperature and reflected spectrum of each pear was measured four times with one hour twenty minutes interval. During the experiment, temperature of pears increased up to 17 $^{\circ}C$. The total number of measured spectrum was 284. Three groups of spectrum data were formed according to temperature distribution. First group had surface temperature of 14$^{\circ}C$ and total number of 51. Second group consisted of the first and the fourth experiment data which contained the minimum and the maximum temperatures. Third group consisted of 155 data with normal temperature-distribution. The rest data set were used for model evaluation. Results shelved that PLS model I, which was developed by using the first data group, was inadequate for measuring sugar content of pears which had different surface temperatures from 14$^{\circ}C$. After temperature compensation, sugar content predictions became close to the measured values. Since using many data which had wide range of surface temperatures, PLS model II and III were able to predict sugar content of pears without additional temperature compensation. PLS model IV, which included the surface temperatures as an independent variable. showed slightly improved performance(R$^2$=0.73). Performance of the model could be enhanced by using samples with more wide range of temperatures and sugar contents.

Discrimination of African Yams Containing High Functional Compounds Using FT-IR Fingerprinting Combined by Multivariate Analysis and Quantitative Prediction of Functional Compounds by PLS Regression Modeling (FT-IR 스펙트럼 데이터의 다변량 통계분석을 이용한 고기능성 아프리칸 얌 식별 및 기능성 성분 함량 예측 모델링)

  • Song, Seung Yeob;Jie, Eun Yee;Ahn, Myung Suk;Kim, Dong Jin;Kim, In Jung;Kim, Suk Weon
    • Horticultural Science & Technology
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    • v.32 no.1
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    • pp.105-114
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    • 2014
  • We established a high throughput screening system of African yam tuber lines which contain high contents of total carotenoids, flavonoids, and phenolic compounds using ultraviolet-visible (UV-VIS) spectroscopy and Fourier transform infrared (FT-IR) spectroscopy in combination with multivariate analysis. The total carotenoids contents from 62 African yam tubers varied from 0.01 to $0.91{\mu}g{\cdot}g^{-1}$ dry weight (wt). The total flavonoids and phenolic compounds also varied from 12.9 to $229{\mu}g{\cdot}g^{-1}$ and from 0.29 to $5.2mg{\cdot}g^{-1}$dry wt. FT-IR spectra confirmed typical spectral differences between the frequency regions of 1,700-1,500, 1,500-1,300 and $1,100-950cm^{-1}$, respectively. These spectral regions were reflecting the quantitative and qualitative variations of amide I, II from amino acids and proteins ($1,700-1,500cm^{-1}$), phosphodiester groups from nucleic acid and phospholipid ($1,500-1,300cm^{-1}$) and carbohydrate compounds ($1,100-950cm^{-1}$). Principal component analysis (PCA) and subsequent partial least square-discriminant analysis (PLS-DA) were able to discriminate the 62 African yam tuber lines into three separate clusters corresponding to their taxonomic relationship. The quantitative prediction modeling of total carotenoids, flavonoids, and phenolic compounds from African yam tuber lines were established using partial least square regression algorithm from FT-IR spectra. The regression coefficients ($R^2$) between predicted values and estimated values of total carotenoids, flavonoids and phenolic compounds were 0.83, 0.86, and 0.72, respectively. These results showed that quantitative predictions of total carotenoids, flavonoids, and phenolic compounds were possible from FT-IR spectra of African yam tuber lines with higher accuracy. Therefore we suggested that quantitative prediction system established in this study could be applied as a rapid selection tool for high yielding African yam lines.

Rapid Compositional Analysis of Naphtha by Near-Infrared Spectroscopy

  • 구민식;정호일;이준식
    • Bulletin of the Korean Chemical Society
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    • v.19 no.11
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    • pp.1189-1193
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    • 1998
  • The determination of total paraffin, naphthene, and aromatic (PNA) contents in naphtha samples, which were directly obtained from actual refining process, has been studied using near-infrared (NIR) spectroscopy. Each of the total PNA concentrations in naphtha has been successfully analyzed using NIR spectroscopy. Partial least squares (PLS) regression method has been utilized to quantify the total PNA contents in naphtha from the NIR spectral bands. The NIR calibration results showed an excellent correlation with those of conventional gas chromatography (GC). Due to its rapidity and accuracy, NIR spectroscopy is appeared as a new analytical technique which can be substituted for the conventional GC method for the quantitative analysis of petrochemical products including naphtha.

Issuing Municipal Bonds to Pay Compensation for Lands and Selecting Compensation Priority Areas for Urban Parks and Greenbelts unexecuted in the Long-Term - With a Focus on Seoul City - (장기미집행 도시공원 및 녹지 보상재원 마련을 위한 지방채 발행과 보상우선지역 선정 - 서울특별시를 대상으로 -)

  • Kim, Yu-Ri
    • Journal of the Korean Institute of Landscape Architecture
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    • v.45 no.3
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    • pp.92-106
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    • 2017
  • This paper examines the validity of issuing municipal bonds for land compensation of long-term unexecuted urban parks and greenbelts. Then it suggests that municipal bonds should be issued for compensation priority areas with high rising prices. By conducting correlation analysis and PLS(Partial Least Squares) regression for 32 long-term unexecuted urban parks and greenbelts, the factors were identified that affected 'rising prices of IAPLP(Individually Announced Public Land Price) after seven years'. According to the analysis results, Variable Importance in the Projection in PLS regression was higher in 'IAPLP of base year(1.919)' and 'Accumulated rising Rates of average IAPLP in the borough(1.176).' The implications of this study are as follows. In Seoul, the accumulated rising rates of average IAPLP over the past 12 years is higher than the accumulated interest rates for seven years of urban planning facility bonds, which means that IAPLP have risen more than the interest payments due to the issuance of municipal bonds. In addition, since the actual compensation is three times that of IAPLP, it is judged that the land price is actually much higher than the interest payments. This shows that issuing municipal bonds and preferentially compensating for areas like high rising land prices can increase the economic efficiency of the budget execution. Also, for economic efficiency of budget execution, it is necessary to propose an 'area with high IAPLP' or 'a part in the borough with high rising rate of average IAPLP,' which is expected to have a high rising land price as criteria for compensation priority areas. In the future, when issuing municipal bonds to compensate long-term unexecuted urban parks and greenbelts, variousresearch on financing for municipal bonds repayment should be conducted.

Prediction of Internal Quality for Cherry Tomato using Hyperspectral Reflectance Imagery (초분광 반사광 영상을 이용한 방울토마토 내부품질 인자 예측)

  • Kim, Dae-Yong;Cho, Byoung-Kwan;Kim, Young-Sik
    • Food Engineering Progress
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    • v.15 no.4
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    • pp.324-331
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    • 2011
  • Hyperspectral reflectance imaging technology was used to predict internal quality of cherry tomatoes with the spectral range of 400-1000 nm. Partial least square (PLS) regression method was used to predict firmness, sugar content, and acid content. The PLS models were developed with several preprocessing methods, such as normalization, standard normal variate (SNV), multiplicative scatter correction (MSC), and derivative of Savitzky Golay. The performance of the prediction models were investigated to find the best combination of the preprocessing and PLS models. The coefficients of determination ($R^{2}_{p}$) and standard errors of prediction (SEP) for the prediction of firmness, sugar content, and acid content of cherry tomatoes from green to red ripening stages were 0.876 and 1.875kgf with mean of normalization, 0.823 and $0.388^{\circ}Bx$ with maximum of normalization, and 0.620 and 0.208% with maximum of normalization, respectively.

Vitamin C Tablet Assay by Near -Infrared Reflectance spectrometry

  • Kargosha, Kazem;Ahmadi, Hamid;Nemati, Nader
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.4111-4111
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    • 2001
  • When a drug is prepared in a tablet, the active component represents only a small portion of the dosage form. The other components of the formulation include materials to assist in the dissolution, antioxidants, coloring agents and bulk fillers. The tablets are tested using approved testing methods usually involving separation and subsequent quantification of the active component. Tablets may also be tested by near-Infrared Reflectance spectrometry (NIRS). In the present study, based on NIRS and multivariate calibration methods, a novel and precise method is developed for direct determination of ascorbic acid in vitamin C tablet. Two different tablet formulations were powdered in three different sizes, 63-125 ${\mu}{\textrm}{m}$, and examined. Spectral region of 4750-4950 $cm^{-1}$ / was used and optimized for quantitative operations. Partial least squares (PLS) and multiple linear regression (MLR) methods were performed for this spectral region. The results of optimized PLS and MLR methods showed that reproducibility increase with decreasing grain size and standard error of calibration (SEP) of less than 1% w/w of ascorbic acid and a correlation coefficient of 0.998 can be achieved. The PLS method showed better results than MLR. Seven overdose and underdose samples (prepared in the laboratory to match marketed products) were tested by proposed and iodometric standard methods. A correlation between NIRS predicted ascorbic acid values and iodomet.ic values was calculated ($R^2$=0.9950). Finally, the direct analysis of individual intact tablets in their unit-dose packages (Blistering in aluminum and PVC foils) obtained from market were also carried out and a correlation coefficient of 0.9989 and SEP of 0.931% w/w of ascorbic acid were achieved.

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Identification of MIMO State Space Model based on MISO High-order ARX Model: Design and Application (MISO 고차 ARX 모델 기반의 MIMO 상태공간 모델의 모델인식: 설계와 적용)

  • Won, Wangyun;Yoon, Jieun;Lee, Kwang Soon;Lee, Bongkook
    • Korean Chemical Engineering Research
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    • v.45 no.1
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    • pp.67-72
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    • 2007
  • An efficient method for identification of MIMO state space model has been developed by combining partial least squares (PLS) regression, balanced realization, and balanced truncation. In the developed method, a MIMO system is decomposed into multiple MISO systems each of which is represented by a high-order ARX model and the parameters of the ARX models are estimated by PLS. Then, MISO state space models for respective MISO ARX transfer function are found through realization and combined to a MIMO state space model. Finally, a minimal balanced MIMO state space model is obtained through balanced realization and truncation. The proposed method was applied to the design of model predictive control for temperature control of a high pressure $CO_2$ solubility measurement system.

Spatial Gap-Filling of Hourly AOD Data from Himawari-8 Satellite Using DCT (Discrete Cosine Transform) and FMM (Fast Marching Method)

  • Youn, Youjeong;Kim, Seoyeon;Jeong, Yemin;Cho, Subin;Kang, Jonggu;Kim, Geunah;Lee, Yangwon
    • Korean Journal of Remote Sensing
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    • v.37 no.4
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    • pp.777-788
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    • 2021
  • Since aerosol has a relatively short duration and significant spatial variation, satellite observations become more important for the spatially and temporally continuous quantification of aerosol. However, optical remote sensing has the disadvantage that it cannot detect AOD (Aerosol Optical Depth) for the regions covered by clouds or the regions with extremely high concentrations. Such missing values can increase the data uncertainty in the analyses of the Earth's environment. This paper presents a spatial gap-filling framework using a univariate statistical method such as DCT-PLS (Discrete Cosine Transform-based Penalized Least Square Regression) and FMM (Fast Matching Method) inpainting. We conducted a feasibility test for the hourly AOD product from AHI (Advanced Himawari Imager) between January 1 and December 31, 2019, and compared the accuracy statistics of the two spatial gap-filling methods. When the null-pixel area is not very large (null-pixel ratio < 0.6), the validation statistics of DCT-PLS and FMM techniques showed high accuracy of CC=0.988 (MAE=0.020) and CC=0.980 (MAE=0.028), respectively. Together with the AI-based gap-filling method using extra explanatory variables, the DCT-PLS and FMM techniques can be tested for the low-resolution images from the AMI (Advanced Meteorological Imager) of GK2A (Geostationary Korea Multi-purpose Satellite 2A), GEMS (Geostationary Environment Monitoring Spectrometer) and GOCI2 (Geostationary Ocean Color Imager) of GK2B (Geostationary Korea Multi-purpose Satellite 2B) and the high-resolution images from the CAS500 (Compact Advanced Satellite) series soon.

Untargeted metabolomics using liquid chromatography-high resolution mass spectrometry and chemometrics for analysis of non-halal meats adulteration in beef meat

  • Anjar Windarsih;Nor Kartini Abu Bakar;Abdul Rohman;Nancy Dewi Yuliana;Dachriyanus Dachriyanus
    • Animal Bioscience
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    • v.37 no.5
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    • pp.918-928
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    • 2024
  • Objective: The adulteration of raw beef (BMr) with dog meat (DMr) and pork (PMr) becomes a serious problem because it is associated with halal status, quality, and safety of meats. This research aimed to develop an effective authentication method to detect non-halal meats (dog meat and pork) in beef using metabolomics approach. Methods: Liquid chromatography-high resolution mass spectrometry (LC-HRMS) using untargeted approach combined with chemometrics was applied for analysis non-halal meats in BMr. Results: The untargeted metabolomics approach successfully identified various metabolites in BMr DMr, PMr, and their mixtures. The discrimination and classification between authentic BMr and those adulterated with DMr and PMr were successfully determined using partial least square-discriminant analysis (PLS-DA) with high accuracy. All BMr samples containing non-halal meats could be differentiated from authentic BMr. A number of discriminating metabolites with potential as biomarkers to discriminate BMr in the mixtures with DMr and PMr could be identified from the analysis of variable importance for projection value. Partial least square (PLS) and orthogonal PLS (OPLS) regression using discriminating metabolites showed high accuracy (R2 >0.990) and high precision (both RMSEC and RMSEE <5%) in predicting the concentration of DMr and PMr present in beef indicating that the discriminating metabolites were good predictors. The developed untargeted LC-HRMS metabolomics and chemometrics successfully identified non-halal meats adulteration (DMr and PMr) in beef with high sensitivity up to 0.1% (w/w). Conclusion: A combination of LC-HRMS untargeted metabolomic and chemometrics promises to be an effective analytical technique for halal authenticity testing of meats. This method could be further standardized and proposed as a method for halal authentication of meats.

Preprocessing and Calibration of Optical Diffuse Reflectance Signal for Estimation of Soil Physical and Chemical Properties in the Central USA (미국 중부 토양의 이화학적 특성 추정을 위한 광 확산 반사 신호 전처리 및 캘리브레이션)

  • La, Woo-Jung;Sudduth, Kenneth A.;Chung, Sun-Ok;Kim, Hak-Jin
    • Journal of Biosystems Engineering
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    • v.33 no.6
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    • pp.430-437
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    • 2008
  • Optical diffuse reflectance sensing in visible and near-infrared wavelength ranges is one approach to rapidly quantify soil properties for site-specific management. The objectives of this study were to investigate effects of preprocessing of reflectance data and determine the accuracy of the reflectance approach for estimating physical and chemical properties of selected Missouri and Illinois, USA surface soils encompassing a wide range of soil types and textures. Diffuse reflectance spectra of air-dried, sieved samples were obtained in the laboratory. Calibrations relating spectra to soil properties determined by standard methods were developed using partial least squares (PLS) regression. The best data preprocessing, consisting of absorbance transformation and mean centering, reduced estimation errors by up to 20% compared to raw reflectance data. Good estimates ($R^2=0.83$ to 0.92) were obtained using spectral data for soil texture fractions, organic matter, and CEC. Estimates of pH, P, and K were not good ($R^2$ < 0.7), and other approaches to estimating these soil chemical properties should be investigated. Overall, the ability of diffuse reflectance spectroscopy to accurately estimate multiple soil properties across a wide range of soils makes it a good candidate technology for providing at least a portion of the data needed in site-specific management of agriculture.