• Title/Summary/Keyword: Fourier transform near infrared spectroscopy (FT-NIR)

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Study on non-destructive sorting technique for lettuce(Lactuca sativa L) seed using fourier transform near-Infrared spectrometer (FT-NIR을 이용한 상추(Lactuca sativa L) 종자의 비파괴 선별 기술에 관한 연구)

  • Ahn, Chi-Kook;Cho, Byoung-Kwan;Kang, Jum-Soon;Lee, Kang-Jin
    • Korean Journal of Agricultural Science
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    • v.39 no.1
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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.

Simultaneous Determination of Polycyclic Aromatic Hydrocarbons by Near Infrared Spectroscopy using a Partial Least Squares Regression

  • Nam, Jae-Jak;Lee, Sang-Hak;Park, Ju-Eun
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1276-1276
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    • 2001
  • Polycyclic aromatic hydrocarbons(PAHs) are widely distributed in the environment and are often implicated as potential carcinogens. The chromatographic methods of detection and quantitative determination of PAHs in environmental samples are costly, time consuming, and do not account for all kinds of PAHs. This work describes a quantitative spectroscopic method for the analysis of mixtures of eight PAHs using multivariate calibration models for Fourier transform near infrared(FT-NIR) spectral data. The NIR spectra of mixtures of PAHs (anthracene, pyrene, 1,2-benzanthracene, perylene, chrysene, benzo(a)pyrene, 1-methylanthracene and benzo(ghi)perylene) were measured in the wavelength range from 1100 nm to 2500 nm. The spectral data were processed using a partial least squares regression. We have studied the spectral characteristics of NIR spectra of mixtures of PAHs. It was possible to determine each PAM used in this study at the environmental level(mg L-1) in the laboratory samples. Further development may lead to the rapid determination of more PAHs in typical environmental samples.

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Determination of NaOH, $Na_2CO_3$ and $Na_2S$ Concentration in a Naphtha Cracking Process by FT-NIR Spectroscopy (FT-NIR를 이용한 Naphtha Cracking 공정중 NaOH, $Na_2CO_3$$Na_2S$ 정량분석)

  • Jang, Mijin;Kim, Hyunwook;Cho, Ilyoung
    • Analytical Science and Technology
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    • v.11 no.6
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    • pp.448-451
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    • 1998
  • The feasibility of using FT-NIR (Fourier Transform Near Infrared) spectrometer to measure NaOH, $Na_2CO_3$ and $Na_2S$ concentration in a naphtha cracking process, and an outline of the method development to identify spectral feature of the hydroxide whose band is overlapped by a strong water absorption were demonstrated. For measuring NaOH, $Na_2CO_3$ and $Na_2S$, FT-NIR spectrometer is a rapid and possible alternative to the current titration method with a standard deviation of 0.1.

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Thermal residues analysis of plastics by FT-near infrared spectroscopy (근적외선분광법을 이용한 플라스틱류의 연소 잔류물 분석)

  • Lee, So Yun;Cho, Won Bo;Kim, Hyo Jin
    • Analytical Science and Technology
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    • v.30 no.5
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    • pp.234-239
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    • 2017
  • Identifying the components of residues that are not completely burned at the sites of fires site can provide valuable information for tracing the causes of fires. In order to clarify the types of plastic combustion residues found at the scenes of fires, we studied the residue formed after the combustion of polyethylene (PE) and acrylonitrile butadiene styrene (ABS). Plastic samples were burned at 200, 300, 350, 400, and $500^{\circ}C$ for 3 min using a cone calorimeter, and the changes in weight and combustion products were observed. The powder products obtained by lyophilization and pulverization of the combustion products obtained at each temperature were analyzed by a Fourier transform-near infrared (FT-NIR) spectrometer. When the PE samples were burned, the weight did not change up to $350^{\circ}C$, however a significant change in the weight could be measured above $400^{\circ}C$. The principal component analysis (PCA) of the FT-NIR spectra of the PE and ABS samples obtained at each temperature confirmed that the combustion residues at each temperature were PE and ABS, respectively. Therefore, the types of unburned plastics found at the sites of fires can be confirmed rapidly by near infrared spectroscopy.

Net Analyte Signal-based Quantitative Determination of Fusel Oil in Korean Alcoholic Beverage Using FT-NIR Spectroscopy

  • Lohumi, Santosh;Kandpal, Lalit Mohan;Seo, Young Wook;Cho, Byoung Kwan
    • Journal of Biosystems Engineering
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    • v.41 no.3
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    • pp.208-220
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    • 2016
  • Purpose: Fusel oil is a potent volatile aroma compound found in many alcoholic beverages. At low concentrations, it makes an essential contribution to the flavor and aroma of fermented alcoholic beverages, while at high concentrations, it induced an off-flavor and is thought to cause undesirable side effects. In this work, we introduce Fourier transform near-infrared (FT-NIR) spectroscopy as a rapid and nondestructive technique for the quantitative determination of fusel oil in the Korean alcoholic beverage "soju". Methods: FT-NIR transmittance spectra in the 1000-2500 nm region were collected for 120 soju samples with fusel oil concentrations ranging from 0 to 1400 ppm. The calibration and validation data sets were designed using data from 75 and 45 samples, respectively. The net analyte signal (NAS) was used as a preprocessing method before the application of the partial least-square regression (PLSR) and principal component regression (PCR) methods for predicting fusel oil concentration. A novel variable selection method was adopted to determine the most informative spectral variables to minimize the effect of nonmodeled interferences. Finally, the efficiency of the developed technique was evaluated with two different validation sets. Results: The results revealed that the NAS-PLSR model with selected variables ($R^2_{\upsilon}=0.95$, RMSEV = 100ppm) did not outperform the NAS-PCR model (($R^2_{\upsilon}=0.97$, RMSEV = 7 8.9ppm). In addition, the NAS-PCR shows a better recovery for validation set 2 and a lower relative error for validation set 3 than the NAS-PLSR model. Conclusion: The experimental results indicate that the proposed technique could be an alternative to conventional methods for the quantitative determination of fusel oil in alcoholic beverages and has the potential for use in in-line process control.

IR Absorption Property in Nano-thick Ir-inserted Nickel Silicides (이리듐이 첨가된 니켈실리사이드의 적외선 흡수 특성)

  • Yoon, Kijeong;Song, Ohsung;Han, Jeungjo
    • Korean Journal of Metals and Materials
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    • v.46 no.11
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    • pp.755-761
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    • 2008
  • We fabricated thermally evaporated 10 nm-Ni/1 nm-Ir/(poly)Si films to investigate the energy saving property of silicides formed by rapid thermal annealing (RTA) at the temperature range of $300{\sim}1200^{\circ}C$ for 40 seconds. Moreover, we fabricated 100 nm-thick ITO/(poly)Si films with an rf-sputter as references. A transmission electron microscope (TEM) and an X-ray diffractometer were used to determine cross-sectional microstructure and phase changes. A UV-VIS-NIR and FT-IR (Fourier transform infrared spectroscopy) were employed for near-IR and middle-IR absorbance. Through TEM analysis, we confirmed 20~65 nm-thick silicide layers formed on the single and polycrystalline silicon substrates. Ir-inserted nickel silicide on single crystalline substrate showed almost the same absorbance in near IR region as well as ITO, but Ir-inserted nickel silicide on polycrystalline substrate, which had the uniform absorbance in specific region, showed better absorbance in near IR region than ITO. The Ir-inserted nickel silicide on polycrystalline substrate particularly showed better absorbance in middle IR region than ITO. The results imply that nano-thick Ir-inserted nickel silicides may have excellent absorbing capacity in near-IR and middle-IR region.

IR Absorption Property in NaNo-thick Nickel Cobalt Composite Silicides (나노급 두께의 Ni50Co50 복합 실리사이드의 적외선 흡수 특성 연구)

  • Song, Oh Sung;Kim, Jong Ryul;Choi, Young Youn
    • Korean Journal of Metals and Materials
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    • v.46 no.2
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    • pp.88-96
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    • 2008
  • Thermal evaporated 10 nm-$Ni_{50}Co_{50}$/(70 nm-poly)Si films were deposited to examine the energy saving properties of silicides formed by rapid thermal annealing at temperature ranging from 500 to $1,100^{\circ}C$ for 40 seconds. Thermal evaporated 10 nm-Ni/(70 nm-poly)Si films were also deposited as a reference using the same method for depositing the 10 nm-$Ni_{50}Co_{50}$/(70 nm-poly)Si films. A four-point probe was used to examine the sheet resistance. Transmission electron microscopy (TEM) and X-ray diffraction XRD were used to determine cross sectional microstructure and phase changes, respectively. UV-VIS-NIR and FT-IR (Fourier transform infrared spectroscopy) were used to examine the near-infrared (NIR) and middle-infrared (MIR) absorbance. TEM analysis confirmed that the uniform nickel-cobalt composite silicide layers approximately 21 to 55 nm in thickness had formed on the single and polycrystalline silicon substrates as well as on the 25 to 100 nm thick nickel silicide layers. In particular, nickel-cobalt composite silicides showed a low sheet resistance, even after rapid annealing at $1,100^{\circ}C$. Nickel-cobalt composite silicide and nickel silicide films on the single silicon substrates showed similar absorbance in the near-IR region, while those on the polycrystalline silicon substrates showed excellent absorbance until the 1,750 nm region. Silicides on polycrystalline substrates showed high absorbance in the middle IR region. Nickel-cobalt composite silicides on the poly-Si substrates annealed at $1,000^{\circ}C$ superior IR absorption on both NIR and MIR region. These results suggest that the newly proposed $Ni_{50}Co_{50}$ composite silicides may be suitable for applications of IR absorption coatings.

Prediction of Germination of Korean Red Pine (Pinus densiflora) Seed using FT NIR Spectroscopy and Binary Classification Machine Learning Methods (FT NIR 분광법 및 이진분류 머신러닝 방법을 이용한 소나무 종자 발아 예측)

  • Yong-Yul Kim;Ja-Jung Ku;Da-Eun Gu;Sim-Hee Han;Kyu-Suk Kang
    • Journal of Korean Society of Forest Science
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    • v.112 no.2
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    • pp.145-156
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    • 2023
  • In this study, Fourier-transform near-infrared (FT-NIR) spectra of Korean red pine seeds stored at -18℃ and 4℃ for 18 years were analyzed. To develop seed-germination prediction models, the performance of seven machine learning methods, namely XGBoost, Boosted Tree, Bootstrap Forest, Neural Networks, Decision Tree, Support Vector Machine, PLS-DA, were compared. The predictive performance, assessed by accuracy, misclassification, and area under the curve (0.9722, 0.0278, and 0.9735 for XGBoost, and 0.9653, 0.0347, and 0.9647 for Boosted Tree), was better for the XGBoost and decision tree models when compared with other models. The 54 wave-number variables of the two models were of high relative importance in seed-germination prediction and were grouped into six spectral ranges (811~1,088 nm, 1,137~1,273 nm, 1,336~1,453 nm, 1,666~1,671 nm, 1,879~2,045 nm, and 2,058~2,409 nm) for aromatic amino acids, cellulose, lignin, starch, fatty acids, and moisture, respectively. Use of the NIR spectral data and two machine learning models developed in this study gave >96% accuracy for the prediction of pine-seed germination after long-term storage, indicating this approach could be useful for non-destructive viability testing of stored seed genetic resources.

IR Absorption Property in Nano-thick Nickel Silicides (저온에서 형성된 니켈실리사이드의 적외선 흡수 특성)

  • Han, Jeung-Jo;Song, Oh-Sung;Choi, Young-Youn
    • Korean Journal of Materials Research
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    • v.19 no.4
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    • pp.179-185
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    • 2009
  • We fabricated thermally evaporated 30 nm-Ni/(20 nm or 60 nm)a-Si:H/Si films to investigate the energy-saving property of silicides formed by rapid thermal annealing (RTA) at temperatures of $350^{\circ}C$, $450^{\circ}C$, $550^{\circ}C$, and $600^{\circ}C$ for 40 seconds. A transmission electron microscope (TEM) and a high resolution X-ray diffractometer (HRXRD) were used to determine the cross-sectional microstructure and phase changes. A UVVIS-NIR and FT-IR (Fourier transform infrared spectroscopy) were employed for near-IR and middle-IR absorbance. Through TEM and HRXRD analysis, for the nickel silicide formed at low temperatures below $450^{\circ}C$, we confirmed columnar-shaped structures with thicknesses of $20{\sim}30\;nm$ that had ${\delta}-Ni^2Si$ phases. Regarding the nickel silicide formed at high temperatures above $550^{\circ}C$, we confirmed that the nickel silicide had more than 50 nm-thick columnar-shaped structures with a $Ni_{31}Si_{12}$ phase. Through UV-VIS-NIR analysis, nickel silicide showed almost the same absorbance in the near IR region as well as ITO. However, in the middle IR region, the nickel silicides with low temperature showed similar absorbance to those from high temperature silicidation.

The study of quantitative analytical method for pH and moisture of Hanji record paper using non-destructive FT-NIR spectroscopy (비파괴 분석 방법인 푸리에 변환 근적외선 분광 분석을 이용한 한지 기록물의 산성도 및 함수율 정량 분석 연구)

  • Shin, Yong-Min;Park, Soung-Be;Lee, Chang-Yong;Kim, Chan-Bong;Lee, Seong-Uk;Cho, Won-Bo;Kim, Hyo-Jin
    • Analytical Science and Technology
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    • v.25 no.2
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    • pp.121-126
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    • 2012
  • It is essential to evaluate the quality of Hanji record paper without damaging the record paper by previous destructive methods. The samples were Hanji record paper produced in the 1900s. Near-infrared (NIR) spectrometer was used as a non destructive method for evaluating the quality of record papers. Fourier transform (FT) spectrometer was used with 12,500 to 4,000 $cm^{-1}$ wavenumber range for quantitative analysis and it has high accuracy and good signal-to-noise ratio. The acidity and moisture content of Hanji record paper were measured by integrating sphere as diffuse reflectance type. The acidity (pH) of chemical factors as a quality evaluated factor of Hanji was correlated to NIR spectrum. The NIR spectrum was pretreated to obtain the coefficients of optimum correlation. Multiplicative scatter correction (MSC) and First derivative of Savitzky-Golay were used as pretreated methods. The coefficients of optimum correlation were calculated by PLSR (partial least square regression). The correlation coefficients ($R^2$) of acidity had 0.92 on NIR spectra without pretreatment. Also the standard error of prediction (SEP) of pH was 0.24. And then the NIR spectra with pretreatment would have better correlation coefficient ($R^2$ = 0.98) and 0.19 as SEP on pH. For moisture contents, the linearity correlation without pretreatment was higher than the case with pretreatment (MSC, $1^{st}$ derivative). As the best result, the $R^2$ was 0.99 and SEP was 0.45. This indicates that it is highly proper to evaluate the quality of Hanji record papers speedily with integrated sphere and FT NIR analyzer as a non-destructive method.