• 한국축산식품학회지
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• 제28권1호
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• pp.63-68
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• 2008

본 연구에서는 근적외선 분광광도계를 이용하여 원유의 체세포수 측정에 필요한 최적의 색소를 선정하기 위하여 eosin-Y, methyl red, methylen blue, resazurin 및 amido black 10B등의 5가지 색소를 0.01%첨가 후 근적외선 분광광도계를 이용하여 400-2,500 nm 영역에서 측청하였으며, PLS(partial least squar)분석 결과는 다음과 같다. 교정부 모델에서의 상관도는 raw milk 0.78, eosin-Y 0.65, methyl red 0.63, methylen blue 0.65, resazurin 0.98 그리고 amido black 10B는 0.99 였다. 또한, 검증부 모델에서의 상관도는 raw milk 0.49, eosin-Y 0.21, methyl red 0.36, methylen blue 0.47, resazurin 0.95 그리고 amido black 10B는 0.98 였다. 위 결과를 종합해 보면, amido black 10B를 첨가한 경우 검증부 모델의 상관도는 0.98, 검증부 오차(SEP)는 0.09로 가장 우수한 결과를 보였다.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.3111-3111
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• 2001

The implementation of NIR and chemometrics in the Pharmaceutical industries is still in strong progress, both regarding qualitative and quantitative applications and beneficial results are seen. Looking at the development so far, NIR will change the pharmaceutical industry even more in the future. This presentation will address the experiences and progress achieved regarding the application and implementation of quantitative methods for determination of content uniformity and assay of tablets with less than 10% w/w of active, using Near Infrared transmittance spectroscopy in combination with PLS. Also qualitative methods for identification of the same tablets by Near Infrared reflectance spectroscopy will be discussed. Four commercial tablet strengths are formulated and produced from two different compositions by direct compression. Three different strengths are dose proportional, i.e. fixed concentration by varying in size. The aim was to replace the conventional primary methods for analysing content uniformity, assay and identification by NIR. Studies were performed on comparing transmittance versus reflectance spectroscopy for both applications on the dose proportional tablets. The model for determination of content uniformity and assay was developed to cover both coated and uncoated tablets, whereas the qualitative model was developed to identify coated tablets only. The impact of the tablet formulation, tablet size and coating, resulted in individual models far each composition The best calibration was achieved using diffuse reflectance for the identification purposes and diffuse transmittance for the quantitative determination of the active content within the tablets. As NIR in combination with other techniques opens up the possibility of total quality management within the production, the transfer of the above-mentioned models from a laboratory based approach to an at-line approach at H.Lundbeck will be addressed too.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.3115-3115
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• 2001

In this study, portable near infrared (NIR) system was newly integrated with a photodiode array detector, which has no moving parts and this system has been successfully applied for evaluation of human skin moisture. The good correlation between NIR absorbance and absolute water content of separated hairless mouse skin was, in vitro, showed depending on the water content (7.42-84.94%) using this portable NIR system. Partial least squares (PLS) regression was used for the calibration with the 1100-1650 nm wavelength range. For the practical use for the evaluation of human skin based on moisture, PLS model for human skin moisture was, in vivo, developed using the portable NIR system based on the relative water content values of stratum corneum from the conventional capacitance method. The PLS model showed a good correlation. This study indicated that the portable NIR system could be a powerful tool for human skin moisture, which may be much more stable to environmental conditions such as temperature and humidity, compared to conventional methods. Furthermore, in order to confirm the performance of newly integrated portable NIR system, scanning type conventional NIR spectrometer was used in the same experiments and the results were compared.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.2111-2111
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• 2001

A chemoinfometrical method for evaluating the quantitative determination of crystallinity one polymorphs based on fourie-transformed near-infrared (FT-NIR) spectroscopy was established. A direct comparison of the data with the ones collected from using the and compared with the conventional powder X-ray diffraction method was performed. [Method] The pPure a and g forms of indomethacin (IMC) were prepared by reportedusing published methods. Six kinds of standard samples obtained by physically mixing of a and g forms. After the powder X-ray diffraction profiles of samples have been measured, the intensity values were normalized to against the intensity of silicon powder as the as an external standard. The calibration curves for quantification of crystal content were based upon the total relative intensity of four diffraction peaks from of the form g crystal. FT-NIR spectra of six calibration sample sets were recorded 5 times with the NIR spectrometer (BRAN+LUEBBE). Chemoinfometric analysis was performed on the NIR spectral data sets by applying the principal component regression (PCR). [Results] The relation between the actual and predicted polymorphic contents of form g IMC measured using by the X-ray diffraction method shows a good straight linen linear relation., and it has slope of 0.023, an intercept of 0.131 and a correlation coefficient of 0.986. PCR analyses wereis was performed based on normalized NIR spectra sets offer standard samples of known content of IMC g form. IMC. A calibration equation was determined to minimize the root mean square error of the predictionthe prediction. Figure 1 shows a plot of the calibration data obtained by NIR method between the actual and predicted contents of form g IMC. The predicted values were reproducible and had a smaller standard deviation. Figure 2 shows that the plot for the predicted transformation rate (%) of form a IMC to form g as measured by X-ray diffractomeoy against to those as measured by NIR method. The plot has a slope of 1.296, an intercept of 1,109, and a correlation coefficient of 0.992. The line represents a satisfactory correlation between the two predicted values of form g IMC content. Thus NIR spectroscopy is an effective method for the evaluation to the pharmaceutical products of quantitative of polymorph.

• 한국식품저장유통학회지
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• 제12권6호
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• pp.608-612
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• 2005

친환경적이면서 신속한 비파괴 분석방법인 FT-NIR를 이용하여 백미의 총식이섬유(TDF)함량 예측모델을 개발하였다. 백미는 국내산으로 전남지방에서 재배된 47개 품종과, 시중 유통 중인 13개 브랜드 미에 대해서 AOAC 방법에 준한 효소법에 의해 TDF 함량을 분석하였다. 습식 분석된 TDF함량의 범위는 $1.17-1.92\%$ 이었다. FT-NIR로 측정된 스펙트럼의 검량식은 빛의 산란 효과를 최소화하기 위해 수학적 처리를 하였고, 몇 개의 특정 파장이 아닌 전 파장 영역(1,000-2,500 nm)에 대해서 PLS법으로 작성하였다. 얻어진 검량식의 정확도는 상관계수(r), SEE 및 SEP로 확인하였다. 백미 중 총 식이섬유 함량에 대한 회귀분석을 행한 결과, 검량식의 r은 0.9705, SEE는 0.0464, 검증식의 bias는 -0.0006, SEP가0.0604로 측정 정확도가 우수하여 실제 적용이 가능함을 보여주었다.

• 약학회지
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• 제48권3호
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• pp.177-181
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• 2004

Non-invasive blood glucose measurement from mouse tail was performed by near-infrared (NIR) spectroscopy. Three groups; normal, type I diabetes (insulin dependent diabetes mellitus, IDDM), type II diabetes (non-insulin dependent diabetes mellitus, NIDDM) group, were studied over a 10 weeks period with the collection of near-infrared (NIR) spectra. Spectral variations from long-term measurement (10 weeks) from dramatic and nonlinear changes in the optical properties of the live tissue sample were compensated by chemometrics techniques such as principle component analysis (PCA) and partial least squares (PLS) regression. The effect from mouse body temperature changes on NIR spectral data was also considered. This study showed that the compensation of variations from long-term measurement and temperature changes improved calibration accuracy of non-invasive blood glucose measurement.

• Journal of Biosystems Engineering
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• 제41권1호
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• pp.51-59
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• 2016

Purpose: This study examined the performance of two spectroscopy methods and multivariate classification methods to discriminate viable pepper seeds from their non-viable counterparts. Methods: A classification model for viable seeds was developed using partial least square discrimination analysis (PLS-DA) with Fourier transform near-infrared (FT-NIR) and Raman spectroscopic data in the range of $9080-4150cm^{-1}$ (1400-2400 nm) and $1800-970cm^{-1}$, respectively. The datasets were divided into 70% to calibration and 30% to validation. To reduce noise from the spectra and compare the classification results, preprocessing methods, such as mean, maximum, and range normalization, multivariate scattering correction, standard normal variate, and $1^{st}$ and $2^{nd}$ derivatives with the Savitzky-Golay algorithm were used. Results: The classification accuracies for calibration using FT-NIR and Raman spectroscopy were both 99% with first derivative, whereas the validation accuracies were 90.5% with both multivariate scattering correction and standard normal variate, and 96.4% with the raw data (non-preprocessed data). Conclusions: These results indicate that FT-NIR and Raman spectroscopy are valuable tools for a feasible classification and evaluation of viable pepper seeds by providing useful information based on PLS-DA and the threshold value.

• Bulletin of the Korean Chemical Society
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• 제20권9호
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• pp.1021-1025
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• 1999

Near-infrared (NIR) spectroscopy has been successfully utilized for the rapid identification of six typical petroleum products such as light straight-run (LSR), naphtha, kerosine, light gas oil (LGO), gasoline, and diesel. The spectral features of each product were reasonably differentiated in the NIR region, and the spectral differences provided enough qualitative spectral information for discrimination. For discrimination, principal component analysis (PCA) combined with Mahalanobis distance was used to identify each petroleum product from NIR spectra. The results showed that each product was accurately identified with an accuracy over 95%. Most noticeably, LSR, kerosine, gasoline, and diesel samples were predicted with identification accuracy of 99%. The overall results ensure that a portable NIR instrument combined with a multivariate qualitative discrimination method can be efficiently utilized for rapid and simple identification of petroleum products. This is especially important when local at-site measurements are necessary, such as accidental petroleum leakage and regulation of illegal product blending.

• 폴리머
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• 제27권3호
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• pp.249-254
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• 2003

가교 폴리에틸렌을 열을 가하여 노화시킨 후 구조 및 물성의 변화를 조사하였다. 가교 폴리에틸렌의 열적 산화 반응으로 카보닐 그룹이 형성됨을 X-선 광전자 분광법과 근적외선 분광법을 이용하여 확인하였다. 노화 시간이 길어질수록 1715 nm에서 관찰되는 카보닐 피이크가 정량적으로 증가하는 것을 근적외선 분광법을 이용하여 관찰하였다. 열화 시간에 따른 흡수 피이크의 선형적인 관계로부터 근적외선 분광법이 고분자 재료의 열화 과정을 감시하는데 적합한 방법임을 확인할 수 있었다. 또한 노화에 의한 가교 결합의 발생과 그에 따른 물리적 성질의 변화를 TMA, 응력-변형 시험, 쇼어 경도 측정 방법을 이용하여 관찰하였다. 노화가 진행됨에 따라 유리 전이 온도가 110에서 132$^{\circ}C$로 증가함을 관찰하였으며, 인장률은 265에서 110%로 점차 감소하고 쇼어 D 경도는 32에서 50으로 크게 증가하는 것을 관찰할 수 있었다.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1133-1133
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• 2001

Fruit sweetness, as indexed by total soluble solids (TSS), and fruit acidity are key factors in the description of the fruit eating quality. Our group has been using short wave NIR spectroscopy (SW-NIR; 700-1100 nm) in combination with chemometric methods (PLS and MLR) for the non-invasive determination of the fruit eating quality (1,2). In order to further improve calibration performance, we have investigated SW-NIR spectra of sucrose and D-glucose. In previous reports on the band assignment for these sugars in the 1100-2500 nm spectral region (3-7), it has been established that change in concentration, temperature and physical state of sugars reflects on the shape and position of the spectral bands in the whole NIR region(5-7). The effect of change in concentration and temperature of individual sugar solutions and sugar spiked Juice samples was analysed using combined spectroscopic (derivative, difference, 2D spectroscopy) and linear regression chemometric (PLS, MLR) techniques. The results have been compared with the spectral data of a range of fruit types, varying in TSS content and temperature. In the 800-950 nm spectral region, the B-coefficients for apples, peaches and nectarines resemble those generated in a calibration of pure sucrose in water (Fig. 1). As expected, these fruits exhibit better calibration and prediction results than those in which the B-coefficients were poorly related to those for sugar.(Figure omitted).