• 제목/요약/키워드: Fourier transform near infrared spectroscopy (FT-NIR)

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

  • 안치국;조병관;강점순;이강진
    • 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.

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
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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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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FT-NIR를 이용한 Naphtha Cracking 공정중 NaOH, $Na_2CO_3$$Na_2S$ 정량분석 (Determination of NaOH, $Na_2CO_3$ and $Na_2S$ Concentration in a Naphtha Cracking Process by FT-NIR Spectroscopy)

  • 장미진;김현욱;조일영
    • 분석과학
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    • 제11권6호
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    • pp.448-451
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    • 1998
  • 납사 그랙킹 공정과정에서 사용되는 caustic 농도와 부산물로 형성되는 $Na_2CO_3$, $Na_2S$ 농도를 신속하고 정확하게 분석할 수 있는 검량법의 개발과 근적외선 분광기의 적용가능성에 대하여 연구하였다. 주성분 회귀분석을 이용한 검량법과 근적외선 분광기의 조합은 현재 사용되고 있는 습식 적정법의 대체 분석법으로 빠르고 비파괴적으로 적용 가능한 기기이며, 0.1 표준예측오차의 정밀한 분석을 할 수 있다.

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

  • 이소연;조원보;김효진
    • 분석과학
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    • 제30권5호
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    • pp.234-239
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    • 2017
  • 화재 현장에서 완전 연소하지 않은 잔류물의 성분을 규명하는 것은 화재 원인을 추적하는 중요한 단서가 된다. 화재 현장에서 많이 발견되는 플라스틱 연소 잔류물의 종류를 규명하기 위하여 폴리에틸렌 (Polyethylene, PE) 수지와 Acrylonitrile butadiene styrene (ABS) 수지의 연소 후 잔류물에 관한 연구를 진행 하였다. 콘 칼로리미터 (Cone calorimeter)를 사용하여 플라스틱 시료를 200, 300, 350, 400, $500^{\circ}C$로 각각 3분 동안 연소시킨 후 변화된 무게와 연소생성물을 얻었다. 각 온도에서 얻어진 연소생성물을 동결 건조 후 분쇄한 분말 시료를 FT-near infrared (NIR) spectrometer로 스펙트럼을 측정 하였다. 폴리에틸렌 수지 시료를 연소시켰을 때 $350^{\circ}C$까지는 무게의 변화가 없었으나 $400^{\circ}C$ 이상에서는 급격한 무게의 변화를 측정 할 수 있었다. 각 온도에서 얻어진 폴리에틸렌 수지 및 ABS 수지 시료의 FT-NIR 측정 스펙트럼을 주성분 분석(Principle component Analysis, PCA)를 통해서 연소 잔유물이 폴리에틸렌과 ABS 지임을 확인할 수 있었다. 따라서 근적외선 분광법으로 화재현장에서 발견되는 불연소 플라스틱의 종류를 신속하게 확인할 수 있었다.

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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    • 제41권3호
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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.

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

  • 윤기정;송오성;한정조
    • 대한금속재료학회지
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    • 제46권11호
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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.

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

  • 송오성;김종률;최용윤
    • 대한금속재료학회지
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    • 제46권2호
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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.

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

  • 김용율;구자정;구다은;한심희;강규석
    • 한국산림과학회지
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    • 제112권2호
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    • pp.145-156
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    • 2023
  • 본 연구에서는 -18℃ 및 4℃에서 18년간 저장된 소나무 종자 963개에 대해 FT NIR 스펙트럼을 조사하여 7개 머신러닝 방법(XGBoost, Boosted Tree, Bootstrap Forest, Neural Networks, Decision Tree, Support Vector Machine, PLS-DA)을 이용한 종자발아 예측모델을 만들고, 그 성능을 비교하였다. XGBoost 및 Boosted Tree 모델의 예측성능이 가장 우수하였으며, 정확도, 오분류율 및 AUC 값은 각각 0.9722, 0.0278, 0.9735과 0.9653, 0.0347, 0.9647이었다. 2개 모델에서 종자발아 유무를 예측하는 데 있어 상대적 중요도가 높았던 54개 파수 변수들에 대한 파장대는 크게 6개(811~1,088 nm, 1,137~1,273 nm, 1,336~1,453 nm, 1,666~1,671 nm, 1,879~2,045 nm, 2,058~2,409 nm) 그룹으로 나눌 수 있었으며, 방향족 아미노산, 셀룰로스, 리그닌, 전분, 지방산 및 수분과 관련된 것으로 추정되었다. 이상의 결과를 종합할 때, 본 연구에서 얻어진 FT NIR 스펙트럼 데이터과 2개의 머신러닝 모델은 소나무 저장종자의 발아 유무를 정확도 96% 이상으로 예측할 수 있기에 장기저장 종자 유전자원의 비파괴적 활력검정에 유용하게 활용될 수 있을 것으로 생각된다.

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

  • 한정조;송오성;최용윤
    • 한국재료학회지
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    • 제19권4호
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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.

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

  • 신용민;박성배;이창영;김찬봉;이성욱;조원보;김효진
    • 분석과학
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    • 제25권2호
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    • pp.121-126
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    • 2012
  • 한지기록물의 상태를 평가하는 데 있어 기록물의 훼손을 방지하는 것은 필수적인 요소이다. 사용된 공시재료는 1900년대 생산된 한지기록물을 사용하였다. 이 종이 기록물의 상태를 평가하기 위하여 비파괴적 분석기인 12,500~4,000 $cm^{-1}$ 파장영역을 가진 푸리에변환(FT) 근적외선 분광 분석기를 이용하였다. 푸리에변환 방식의 간섭계는 뛰어난 정밀도와 정확도를 가지며, 신호-대-잡음비가 가장 우수 하여 정량 분석에서 가장 많이 사용되고 있다. 한지기록물의 산성도와 함수율을 적분구(integrating sphere)의 확산반사로 사용하여 측정하였다. 산성도(pH)의 경우에 전처리를 하지 않았을 때의 상관계수($R^2$)는 0.92, 표준예측오차(SEP)는 0.317이었고, 전처리를 하였을 때의 $R^2$는 0.98, SEP는 0.208 이었다. 그리고 함수율의 경우 산성도와 달리 전처리를 하지 않았을 경우에도 $R^2$와 SEP는 각각 0.99와 0.458로 확인 되었다. 전처리 중 다산란 보정방법(MSC)의 경우에는 $R^2$가 0.97, SEP가 0.558로 증가하는 것을 확인 할 수 있어 함수율은 전처리를 하지 않았을 때가 좋은 결과가 나오는 것으로 확인 되었다. 이러한 결과를 통해 비파괴적인 분석방법으로 한지기록물을 적분구와 FT 근적외선 분광 분석기를 이용하여 한지의 상태를 정확히 평가할 수 있을 것으로 판단되었다.