• 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.

• Journal of the Korean Ceramic Society
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• v.49 no.6
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• pp.493-497
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• 2012

We propose a new reliable, fast, and low cost identification method for similarly looking 0.3ct vivid yellow color of natural, HPHT treated, and synthesized diamonds. Conventional optical microscopy as well as low temperature PL(photoluminescence), FT-IR, UV-VIS-NIR, micro-Raman spectroscopy, and vibrating sample magnetometry(VSM) characterization were executed. We could not distinguish the natural diamonds from the treated or the synthesized stones with an optical microscopy, PL, FT-IR, and UV-VIS-NIR spectroscopy. However, we could identify the treated diamond with micro-Raman spectroscopy due to unique $1440cm^{-1}$ peak appearance. VSM revealed easily the synthesized diamond because of its ferromagnetic behavior. Our preliminary propose on employing the Micro-Raman spectroscopy and VSM might be suitable for identification of the similar looking vivid yellow colored diamonds.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1181-1181
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• 2001

Robinson with ${coworkers}^{1}$ have introduced two-state outer-neighbor bonding model to explain the anomalies of water. The studies on the properties of water as a function of temperature and pressure revealed that, unlike other ideas, all $H_2O$ molecules in liquid are tetrabonded. On the average they are forming two different bonding types. One type is the regular tetrahedral water-water bonding similar to that found in the ordinary ice Ih, whereas the other is a more dense nonregular tetrahedral bonding similar to that appearing in the ice II. The transformation between these two bonding forms is evidenced by FT-NIR experiment. The FT-NIR measurements were done for liquid water in the temperature range from $20^{\circ}C$ up to $80^{\circ}C$ in a wide extent of frequencies: 12 000 - 4000 $cm^{-1}$ /. Temperature dependent variations in the volume fraction of these two structures are directly related to the spectral changes. The absorbance variations are explored by means of the two-dimensional correlation spectroscopy (2DCOS), principal component analysis (PCA), curve fitting and second derivatives. The presence of the isosbestic points in a range of the combination and overtone transitions indicates that the experimental spectra are a superposition of two temperature independent components. One component of diminishing intensity with temperature increase, is assigned to a stronger hydrogen bonds occurred in the Ih type, whereas the second component showing an opposite behavior, one can attribute to a weaker H-bonds characteristic for the II type. The understanding of the hydrogen bonding network in the liquid water is very important in interpretation of the interaction between water and protein chain. The two-state model of water surrounding the protein surface could advance an understanding of the hydration process.

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

• YAKHAK HOEJI
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• v.47 no.6
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• pp.461-468
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• 2003

A method is described for measuring clinically relevant levels of glucose in a pH 7.4 phosphate buffer by nearinfrared (NIR) absorption spectroscopy. Three types of NIR spectrometer, dispersive type, photo-diode array (PDA) type, and fourier transform (FT) type spectrometer were used and the performance was compared. Spectra were collected with a cuvette cell or quartz liquid fiber of 1 mm or 2 mm optical pathlength as transmittance method. Glucose absorption band appeared at second overtone, first overtone, and combination region for all systems. By use of the multivariate technigue of partial least squares (PLS) regression, glucose concentrations can be determined with a 16, 44, and 9.1 mg/d l standard error of prediction for dispersive type, photo-diode array type, and fourier transform type system, respectively. Sensitivity of spectrometer was evaluated by absorbance for the difference of 10 mg/d l glucose. Three absorption bands, second overtone, first overtone, and combination region were suited to three types systems, dispersive type, photo-diode array type, and fourier transform type systems, respectively. This investigation showed that three types NIR spectrometer were proper method for identification and quantitative analysis of glucose and possible for noninvasive blood glucose monitoring.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1124-1124
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• 2001

CARNAC is a procedure for obtaining quantitative analysis of a sample by comparison of the NIR spectra of the unknown sample with a database of a large number of samples with NIR spectral and compositional data. The method depends on the compression of the NIR database followed by a modification of the compressed data which emphasizes the required analyte. The method identifies a few very similar samples and the value of the required analyte is calculated from a weighed average of the analyte values for the selected similar samples. The method was originally described at Chambersburg IDRC in 1986 and in the Proceedings of the FT Conference of 1987. This contribution will describe recent work on utilising new methods for both compression and modification.

• Proceedings of the Korean Society of Potoscience Conference
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• spring
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• pp.30-30
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• 1997

• 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.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1252-1252
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• 2001

The aim of this study was to evaluate the possibility to characterize and classify waxes applied on some type of cheeses to obtain good stability during handling and transportation. Generally, waxes are obtained from the petrochemical industry, nowadays there is the possibility to also use biodegradable waxes produced from microorganisms. Preliminary studies were carried out to optimize sample presentation in NIR analysis, such as melting conditions (influence of temperature) and coat thickness of wax. 12 waxes (biodegradable or not) were analysed by using an InfraAlyzer 500 (Bran+Luebbe). The sample size was performed cutting pieces of 1.5 cm (height) x 1.5 cm (width) x 1.5 mm (thickness), previously melted at 9$0^{\circ}C$. NIR spectra were collected at room temperature, and data were processed by Sesame Software (Bran+Luebbe) to evaluate qualitative differences among samples by cluster analysis. Waxes were gathered on the basis of their origin (petrochemical or microbial). To better understand the significance of the NIRS bands discriminating among waxes, a two-dimensional correlation with FT-IR spectra, collected by a FT-IR/ATR 420 (JASCO) instrument, was made using 2DCORR program (Galactic Industries). On the basis of its classification power, NIRS appears to be a promising tool when used in routine analysis for a qualitative control of raw materials.

• Journal of the Korean Ceramic Society
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• v.52 no.2
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• pp.165-170
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• 2015

We employed the high-pressure high temperature (HPHT) process to enhance the colors of natural sapphires to obtain a vivid blue. First, we analyze the content of the coloring agent $Fe_2O_3$ using the wavelength dispersive X-ray fluorescence (WD-XRF) method. The HPHT procedure operates under 1 GPa at various temperatures of 1700, 1750, and $1800^{\circ}C$ for 5 minutes using a cubic press. We determine the color changes using the optical microscopic images, UV-VIS near-infrared (NIR) spectra, micro-Raman spectra, and Fourier transform-infrared (FT-IR) spectra for all sapphire samples before and after the treatment. The optical microscopic results indicate that the HPHT process can enhance the sapphire color to a vivid blue at temperatures above $1750^{\circ}C$. The UV-VIS-NIR spectra identify the color changes explicitly and quantitatively through providing the Lab color scales and color differences. Both results demonstrate that the colors of natural sapphires can be enhanced to a vivid blue using the HPHT process above $1750^{\circ}C$ under 1 GPa for 5 minutes.