• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2002.11a
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• pp.97-117
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• 2002

A chemoinfometrical method for quantitative determination of crystal content of indomethacin (IMC) 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 conventional powder X-ray diffraction method was performed. Pure $\alpha$ and ${\gamma}$ forms of IMC were prepared using published methods. Powder X-ray diffraction profiles and NIR spectra were recorded for six kinds of standard materials with various content of ${\gamma}$ form IMC. The principal component regression (PCR) analyses were performed based on normalized NIR spectra sets of standard samples of known content of IMC ${\gamma}$ form. A calibration equation was determined to minimize the root mean square error of the prediction. The predicted ${\gamma}$ form content values were reproducible and had a relatively small standard deviation. The values of ${\gamma}$ form content predicted by two methods were in close agreement. The results were indicated that NIR spectroscopy provides for an accurate quantitative analysis of crystallinity in polymorphs compared with the results obtained by conventional powder X-ray diffractometry.

• Near Infrared Analysis
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• v.1 no.2
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• pp.29-33
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• 2000

The identification step of raw drug materials is an indispensible procedure in the GMP manufacturing process within the pharmaceutical industry. However, wet chemistry methods for identification of drug materials, used by the various Pharmacopeia are time-consuming and expensive steps. In this paper, near-infrared spectroscopy (NIRS) has been developed for identifying eleven drug substances including calcium pantothenate, cefaclor, cefoperazone, cephradine, dextromethorphan, ehtambutol, nicotinamide, pyrozinamide, tramadol, vitamin C, and vitamin E. Also the aim of ths work is to consturct a new algorithm for calibration model using soft independence modeling of class analogy (SIMCA) with Malinowskis Indicator Function (IND), which is used for finding the number of principal components of each class of the SIMACA model. The use of NIR technique with pattern recognition to qualify raw materials can make it possible to monitor process in real time as well as to control all procedures in the pharmaceutical industry. As the result, the samples identified of 183 different batches from 11 different compounds were separated clearly by SIMCA with 2nd derivative spectra in the NIR region of 1100∼2400 nm.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1021-1021
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• 2001

Sample presentation, which means how to set samples to an NIR instrument, is very important in Near Infrared (NIR) Spectroscopy. When sample presentation is not suitable for the samples that you use, very good spectra can not be obtained even if you use a sophisticated NIR instrument. In my presentation, various NIR sample presentations for agricultural products such as intact fruits, single grains, vegetable juice and the others will be explained. In case of peaches with thin peel, the fiber optics of Interactance can be used. However, the fiber optics are not suitable for oranges with relatively thick peel. In this case, transmittance method is useful. As for a small sample such as single grains, a specially designed cell is needed. The cell in transmittance mode has been developed and then applied to single kernels of rice and soybean. In this case we also used the fiber optics. As regards liquid type of sample, a cuvette cell made of quartz in transmittance mode is popular. However, it is time-consuming to wash and dry it. In order to compensate this disadvantage the sample presentation using normal test tubes as sample cells have been developed and applied to milk, rumen juice and urine of a milking cow. An individual test tube can be used for each sample if you use the calibration equation with sample cell compensation. The test tube cell has also been applied to spinach juice for determination of undesirable constituents. It is concluded that sample presentation is most important for NIR Spectroscopy.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2000.06a
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• pp.45-45
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• 2000

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.3121-3121
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• 2001

The factors involved in development of electronic grading systems for commodities such as grains and seeds include determination of the factors that influence the end-product utilization of the commodities, and the degree to which these can be predicted by electronic methods. The possibility of exchanging existing methods of grading by electronic methods has to be considered. The respective merits of techniques such as Digital Imaging and Near-infrared (NIR) spectroscopy have to be considered. Digital Imaging is a computerized version of visual inspection and grading, whereas NIR spectroscopy has the potential for grading on the basis of composition and functionality, Selection and evaluation of NIR instruments is an important factor, as are sampling and sample presentation to electronic instruments, and particularly the engineering involved in sample presentation. Sample assembly, and software for calibration development are described in the presentation. Finally the impact and implications of introduction of electronic grading are discussed with particular attention to marketing of the commodities.

• KOREAN JOURNAL OF CROP SCIENCE
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• v.53 no.3
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• pp.314-319
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• 2008

Near infrared (NIR) spectroscopy was used to classify normal and artificially aged nonviable corn (Zea mays L., cv. 'Suwon19') seeds. The spectra at 1100-2500nm were scanned with normal and artificially aged single seeds and analyzed by principle component analysis (PCA). To discriminate normal seeds from artificially aged seeds, a calibration modeling set was developed with a discriminant partial least square 2 (PLS 2) method. The calibration model derived from PLS 2 resulted in 100% classification accuracy of normal and artificially aged (aged) seeds from the raw, the 1st and 2nd derivative spectra. The prediction accuracy of the unknown normal seeds was 88, 100 and 97% from the raw, the $1^{st}$ and $2^{nd}$ derivative spectra, and that of the unknown aged seeds was 100% from all the raw, the $1^{st}$ and $2^{nd}$ derivative spectra, respectively. The results showed a possibility to separate corn seeds into viable and non-viable using NIR spectroscopy.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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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.

• Near Infrared Analysis
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• v.2 no.1
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• pp.29-36
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• 2001

This review paper outlines modern pretreatment methods used in NIR spectroscopy. The pretreatment methods can be divided into four categories. One method in is noise reduction. Smoothing is a representative method for the noise reduction. Another is baseline correction. The second derivative and multiplicative scatter correction (MSC) are most frequently employed for baseline correction. The third is centering and normalization and the last is resolution enhancement. Difference spectra, mean centering and second derivative are used in NIR spectroscopy as resolution enhancement methods. In this paper advantages and drawbacks of pretreatment methods currently used in NIR spectroscopy are discussed with many examples of NIR spectra.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1171-1171
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• 2001

Quantitative analysis is an important requirement in exploration, mining and processing of minerals. There is an increasing need for the use of quantitative mineralogical data to assist with bore hole logging, deposit delineation, grade control, feed to processing plants and monitoring of solid process residues. Quantitative analysis using X-Ray Powder Diffraction (XRD) requires fine grinding and the addition of a reference material, or the application of Rietveld analysis to XRD patterns to provide accurate analysis of the suite of minerals present. Whilst accurate quantitative data can be obtained in this manner, the method is time consuming and limited to the laboratory. Mid infrared when combined with multivariant analysis has also been used for quantitative analysis. However, factors such as the absorption coefficients and refractive index of the minerals requires special sample preparation and dilution in a dispersive medium, such as KBr to minimize distortion of spectral features. In contrast, the lower intensity of the overtones and combinations of the fundamental vibrations in the near infrared allow direct measurement of virtually any solid without special sample preparation or dilution. Thus Near Infrared Spectroscopy (NIR) has found application for quantitative on-line/in line analysis and control in a range of processing applications which include, moisture control in clay and textile processing, fermentation processes, wheat analysis, gasoline analysis and chemicals and polymers. It is developing rapidly in the mineral exploration industry and has been underpinned by the development of portable NIR spectrometers and spectral libraries of a wide range of minerals. For example, iron ores have been identified and characterized in terms of the individual mineral components using field spectrometers. Data acquisition time of NIR field instruments is of the order of seconds and sample preparation is minimal. Consequently these types of spectrometers have great potential for in-line or on-line application in the minerals industry. To demonstrate the applicability of NIR field spectroscopy for quantitative analysis of minerals, a specific example on the quantification of lateritic bauxites will be presented. It has been shown that the application of Partial Least Squares regression analysis (PLS) to the NIR spectra can be used to quantify chemistry and mineralogy in a range of lateritic bauxites. Important, issues such as sampling, precision, repeatability, and replication which influence the results will be discussed.

• Journal of electromagnetic engineering and science
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• v.17 no.4
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• pp.186-190
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• 2017

Visible-near-infrared (VIS-NIR) spectroscopy is a fast and non-destructive method for analyzing materials. However, most commercial VIS-NIR spectrometers are inappropriate for use in various locations such as in homes or offices because of their size and cost. In this paper, we classified eight food powders using a portable VIS-NIR spectrometer with a wavelength range of 450-1,000 nm. We developed three machine learning models using the spectral data for the eight food powders. The proposed three machine learning models (random forest, k-nearest neighbors, and support vector machine) achieved an accuracy of 87%, 98%, and 100%, respectively. Our experimental results showed that the support vector machine model is the most suitable for classifying non-linear spectral data. We demonstrated the potential of material analysis using a portable VIS-NIR spectrometer.