• 제목/요약/키워드: Near-infrared (NIR) spectroscopy

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Information obtainable from transmission measurements of carbohydrates in the range from 200 to 1700 nm using water, heavy water ($D_20$) or dimethylsulfoxide (DMSO) as solvents

  • Bernhard Tauscher;Robert B.Jordan;Peter Butz;Carola Merkel
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1518-1518
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    • 2001
  • In the area of the destruction-free NIR analysis of fruit and vegetables development has not yet progressed as far as in grain and similar products. One reason for that is, that in contrast to grains, in fruit and vegetables water appears as the outstanding main-component making up typically 80% by weight of the fruit. Of the M absorption spectrum of pure water the bands at 1450, 970 and 760 nm are the first, second and third overtones respectively of O-H stretch while those at 1940 and 1190 are combination bands involving O-H stretch and O-H bend. The choice of band for spectrometry is governed by considerations of sensitivity and selectivity. The overtone bands are satisfactory for use in moisture measurements from 0 to 4 % depending on path length. Measurements in fruits and vegetables at wavelength areas that are also important for the determination of carbohydrates (sucrose, glucose, fructose) often lead to total absorption in the presence of significant water even if short path lengths are possible. In this work model systems are used containing different carbohydrates in solvents like heavy water (D$_2$O) or dimethylsulfoxide (DMSO) that do not contain O-H functional groups.

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Quantification of an active ingredient in tablets by NIR transmission measurements

  • Niemoller, Andreas;Schmidt, Angela;Weis, Aaron;Weiler, Helmut
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.4114-4114
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    • 2001
  • For the quality control of tablets several parameters have to be checked. The most important one is the content of an active ingredient which has to match a narrow range around the designated content. The only useful measurement mode is transmission which provides information of the complete tablet. A measurement in diffuse reflectance would register only the surface which is useless especially in case of a coated tablet. In this work tablets for a clinical study (placebo/verum studies) with very low concentrations of the active ingredient were measured. The concentration range was 0 to 6 mg with a total weight of the tablets of 105 mg, leading to a highest concentration of the active component of 5.7% by weight. Especially the spectroscopic distinction between the placebo and the low dosage forms with 0.25 and 0.5 mg active agent requires an extraordinarily accurate sampling technique. Using the VECTOR 22/N-T in transmission mode allows the collection of the information from the complete tablets. A quantitative PLS-model with transmission spectra from the tablets described above shows that the active substance can be predicted with a RMSECV (root mean square error of cross validation) of 0.04% absolute for this special application. The results are compared with those of measurements in diffuse reflectance using different accessories.

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SELECTION OF WAELENGTH REGION FOR PLS BRIX CALIBRATION OF MANGO BY MLR METHOD

  • Sarawong, Sirinnapa;Sornsrivichai, Jinda;Kawano, Sumio
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1625-1625
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    • 2001
  • The calibration equations for Brix value determination of intact mango were developed using the NIR spectra in a short wavelength region from 700 to 1100 nm. Multiple linear regression (MLR) and partial least square regression (PLS) was used for the calibration. It was found that the best wavelength region for PLS calibration from 900 to 1000 nm was similar to the wavelength region selected by MLR from 906 nm to 996 nm. Both MLR and selected region PLS provided sufficiently accurate prediction equations for Brix determination of intact mango. For MLR, the prediction results were SEP = 0.45 Brix and Bias = -0.04 Brix while PLS prediction results were SEP : 0.46 Brix and Bias = -0.2 Brix. It was concluded that MLR and PLS would have similar abilities in making calibration equation for Brix determination of intact mango if the appropriate wavelengths or wavelength region were selected. The appropriate wavelength region for PLS regression could be assumed by using the wavelength region selected by MLR in place of random selection, The relationship between calibration results of MLR and PLS regression is discussed.

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가시광선 / 근적외선 분광 분석법을 이용한 쌀의 정백수율 측정 (Determination of Rice Milling Ratio by Visible / Near-Infrared Spectroscopy)

  • 김재민;민봉기;최창현
    • Journal of Biosystems Engineering
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    • 제22권3호
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    • pp.333-342
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    • 1997
  • The objective of this research was to develop model equations for measuring rice milling ratio by using visible / HIR spectroscopy. Twelve kinds of brown rice(n = 149) were milled to obtain various milling ratio ranged from 86% to 94%. Visible/NIR spectra were collected with a spectrophotometer with sample transport module. The reflectance and transmission spectra were measured in the range of 400~2, 500nm and 600~1, 400nm, respectively, with 2 nm intervals. Multiple linear regression(MLR), Partial least square (PLS), and Artificial neural network(ANN) were used to develop models. Model developed with reflectance spectra showed better prediction results then those with transmission spectra. The MLR model with six-wavelength obtained from first derivative spectra gave to the best results for measuring the rice milling ratio(SEP = 0.535, , $r^2$ = 0.980). The PLS model(SEP = 0.604, $r^2$= 0.976) and ANN model(SEP = 0.566, $r^2$= 0.978) also can be used to determine the rice milling ratio effectively.

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In Situ Estimation of the Constituents of Green Soybean (Edamame) Pod using Near-Infrared Transmission Spectroscopy

  • Suzuki, Michiru;Katahira, Mitsuhiko;Natsuga, Motoyasu
    • Journal of Biosystems Engineering
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    • 제39권4호
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    • pp.352-356
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    • 2014
  • Purpose: We estimated the dietary qualities of green soybean (edamame) by using a specialized NIR transmission spectrometer to determine the constitutive properties of the soybean, such as the sucrose content and ninhydrine reaction quantity (NRQ; defined by the ninhydrine reaction, which has a high positive correlation with the total free amino acids), with the purpose of establishing a quality assurance system. Methods: We used a newly developed spectrometer probe that enables in situ estimation of the constituents of the soybean. Results: The calibration results obtained using a wavelength range of 760-960 nm were characterized by $R^2$ = 0.57 and standard error of cross-validation (SECV) of 0.78% for sucrose, and $R^2$ = 0.59 and SECV = 0.35% for NRQ. Conclusions: These results are inferior to those of our previous study obtained using a specialized bench-type transmission spectrometer. The poorer results are attributed to several possible reasons, including the effect of direct sunlight and the unstable sample presentation. We plan to conduct further study using improved optical layout and sample presentation.

기능적 근적외 분광법(fNIRS) 기반의 비즈니스 문제해결 창의성에 관한 탐색연구 (An Exploratory Study on the fNIRS-based Analysis of Business Problem Solving Creativity)

  • 류재관;이건창
    • 한국콘텐츠학회:학술대회논문집
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    • 한국콘텐츠학회 2018년도 춘계 종합학술대회 논문집
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    • pp.167-168
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    • 2018
  • 비즈니스 환경에서 창의성은 의사결정 문제해결을 위한 중요한 수단이 되고 있다. 본 연구는 실험 패러다임을 구축하고 기능적 근적외 분광법, 즉 fNIRS (functional Near-Infrared Spectroscopy)를 활용하여 창의성이 비즈니스 문제 해결에 미치는 영향을 뇌 인지 변화를 통해 측정하고자 한다. 본 연구에서는 비즈니스 문제해결 창의성이라는 새로운 차원의 창의성을 fNIRS로 측정하고 이를 경영성과 개선으로 연결하고자 하는 연구노력의 탐색적 수준의 결과를 제시하고자 한다.

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NIRS Analysis of Liquid and Dry Ewe Milk

  • Nunez-Sanchez, Nieves;Varo, Garrido;Serradilla-Manrique, Juan M.;Ares-Cea, Jose L.
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1251-1251
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    • 2001
  • The routine analysis of milk chemical components is of major importance both for the management of animals in dairy farms and for quality control in dairy industries. NIRS technology is an analytical technique which greatly simplifies this routine. One of the most critical aspects in NIRS analysis of milk is sample preparation and analysis modes which should be fast and straightforward. An important difficulty when obtaining NIR spectra of milk is the high water content (80 to 90%) of this product, since water absorbs most of the infrared radiation, and, therefore, limits the accuracy of calibrating for other constituents. To avoid this problem, the DESIR system was set up. Other ways of radiation-sample interaction adapted for liquids or semi-liquids exist, which are practically instantaneous and with limited or null necessity of sample preparation: Transmission and Folded Transmission or Transflectance. The objective of the present work is to compare the precision and accuracy of milk calibration equations in two analysis modes: Reflectance (dry milk) and Folded Transmission (liquid milk). A FOSS-NIR Systems 6500 I spectrophotometer (400-2500 nm) provided with a spinning module was used. Two NIR spectroscopic methods for milk analysis were compared: a) folded transmission: liquid milk samples in a 0.1 pathlength sample cell (ref. IH-0345) and b) reflectance: dried milk samples in glass fibre filters placed in a standard ring cell. A set of 101 milk samples was used to develop the calibration equations, for the two NIR analysis modes, to predict casein, protein, fat and dry matter contents, and 48 milk samples to predict Somatic Cell Count (SCC). The calibrations obtained for protein, fat and dry matter have an excellent quantitative prediction power, since they present $r^2$ values higher than 0.9. The $r^2$ values are slightly lower for casein and SCC (0.88 and 0.89 respectively), but they still are sufficiently high. The accuracy of casein, protein and SCC equations is not affected by the analysis modes, since their ETVC values are very similar in reflectance and folded transmission (0.19% vs 0.21%; 0.16% vs 0.19% and 55.57% vs 53.11% respectively), Lower SECV values were obtained for the prediction of fat and dry matter with the folded transmission equations (0.14% and 0.25% respectively) compared to the results with the reflectance ones (0.43% and 0.34% respectively). In terms of accuracy and speed of analytical response, NIRS analysis of liquid milk is recommended (folded transmission), since the drying procedure takes 24 hours. However, both analysis modes offer satisfactory results.

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근적외분광분석법을 이용한 감귤잎의 수분 측정 (Determination of the water content in citrus leaves by portable near infrared (NIR) system)

  • 서은정;우영아;임현량;김효진;문두경;최영훈
    • 분석과학
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    • 제16권4호
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    • pp.277-282
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    • 2003
  • 감귤의 생육단계별 토양 수분의 양은 감귤의 비대와 당도에 영향을 미치며, 토양 건조 처리를 통해 수분스트레스를 부여하면 과실의 당도를 높일 수 있다. 감귤잎 수분 함유율의 측정은 감귤 성장 시기에 따른 관수 시점, 관수량 조절의 지표가 될 수 있다. 본 연구는 근적외분광분석법(NIRS)을 이용하여 비파괴적으로 감귤잎의 수분을 측정하기 위하여 수행되었다. 온주밀감 (Citrus unshiu Marc.)의 잎 ('Okitsu' Satusuma mandarin leaves)은 건조감량시험법에 따라 건조시켜 수분 함유율 20.80-69.98% 범위로 하여 사용하였다. 감귤잎의 흡수 스펙트럼은 광섬유 반사 프로브를 이용하여 측정하였고, 1450 nm에서 수분 함유율 변화에 따른 OH band의 변화를 관찰할 수 있었다. 감귤잎 수분 측정을 위한 모델은 1100-1700 nm 파장 범위의 스펙트럼을 사용하여, 부분최소제곱법 (PLSR, Partial least squres regression)을 실시하여 개발되었다. 그 결과 SEP (Standard errors of prediction)는 0.97%였다. 개발된 모델을 검증하기 위하여 다른 감귤잎에 적용시킨 결과, 건조감량 측정 결과에 대하여 SEP 0.81%로 좋은 상관성을 보여주고 있다. 본 연구를 통해서 신속하고 비파괴적인 감귤잎의 수분 함유율 측정이 근적외분광분석법을 이용하여 성공적으로 수행되었다.

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.

Analysis of Genetic Diversity of Korean Accessions of the Genus Acorus Using RAPD Markers and NIR Spectroscopy

  • Lee, Ja-Hyun;Kim, In-Seon;Lee, Seong-Gene;Rim, Kwang-Sub;Kim, Sung-Gil;Han, Tae-Ho
    • 원예과학기술지
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    • 제29권3호
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    • pp.232-239
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    • 2011
  • The genus Acorus is known as an indigenous medicinal plant. Genetic diversity of thirteen accessions of A. calamus and eight of A. gramineus, with an accession of Colocasia antiquorum and two of Iris pseudacorus as outgroups, were evaluated using RAPD markers for cluster analysis and principal coordinate analysis, and NIR spectroscopic profiles for principal component analysis.A total of 371 polymorphic bands were obtained by using the selected 12 random primers. The genetic distances were estimated from 0.03 to 0.31 within A. calamus and from 0.03 to 0.51 within A. gramineus. The dendrogram and three-dimensional plot separated the accessions into four distinct groups (A. calamus, A. gramineus, C. antiquorum, and I. pseudacorus). Moreover, for the diversity among genus Acorus, eleven A. calamus accessions, one A. gramineus accession, and two I. pseudacorus accessions were non-destructively analyzed from their leaves by NIR spectroscopy, which discriminated Acorus accessions like the RAPD analysis. Interestingly, thirteen accessions of A. calamus were clustered into two groups based on RAPD and NIR analyses, which indicates that there are two ecotypes of A. calamus in Korea. An accession (CZ) of A. calamus with yellow stripe on leaves was closely grouped with another (CX) at a genetic distance (GD) of 0.03, which shows that the stripe trait might be generated by chimeric mutation. The genetic distance between A. calamus and A. gramineus was revealed to be farthest from 0.80 to 0.88 GD. In genus Acorus the genetic diversity and genetic variation were identified by using RAPD marker technique and non-destructive NIRs.