• 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.

• Analytical Science and Technology
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• v.11 no.6
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• pp.448-451
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• 1998

The feasibility of using FT-NIR (Fourier Transform Near Infrared) spectrometer to measure NaOH, $Na_2CO_3$ and $Na_2S$ concentration in a naphtha cracking process, and an outline of the method development to identify spectral feature of the hydroxide whose band is overlapped by a strong water absorption were demonstrated. For measuring NaOH, $Na_2CO_3$ and $Na_2S$, FT-NIR spectrometer is a rapid and possible alternative to the current titration method with a standard deviation of 0.1.

• Journal of Biosystems Engineering
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• v.41 no.1
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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.

• Journal of Biosystems Engineering
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• v.38 no.4
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• pp.312-317
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• 2013

Purpose: Conventional methods used to evaluate seeds viability are destructive, time consuming, and require the use of chemicals, which are not feasible to implement to process plant in seed industry. In this study, the effectiveness of Fourier transform near infrared (FT-NIR) spectroscopy to differentiate between viable and nonviable watermelon seeds was investigated. Methods: FT-NIR reflectance spectra of both viable and non-viable (aging) seeds were collected in the range of 4,000 - 10,000 $cm^{-1}$ (1,000 - 2,500 nm). To differentiate between viable and non-viable seeds, a multivariate classification model was developed with partial least square discrimination analysis (PLS-DA). Results: The calibration and validation set derived from the PLS-DA model classified viable and non-viable seeds with 100% accuracy. The beta coefficient of PLS-DA, which represented spectral difference between viable and non-viable seeds, showed that change in the chemical component of the seed membrane (such as lipids and proteins) might be responsible for the germination ability of the seeds. Conclusions: The results demonstrate the possibility of using FT-NIR spectroscopy to separate seeds based on viability, which could be used in the development of an online sorting technique.

• 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.

• Analytical Science and Technology
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• v.24 no.2
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• pp.85-93
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• 2011

To protect the steel structure in a high story buildings from fire, the sprayed fire-resistive materials are applied during the construction. Current standard methods to check the quality of sprayed fire-resistive materials are real fire test in lab, which take a long time (several weeks) and expensive. In this study, a simple analytical method to check the quality of sprayed fire-resistive materials is developed using Near Infrared Spectroscopy (NIR). Total 9 kinds of sprayed fire-resisted materials and 3 kinds of normal sprayed material sets were used for the analysis. Each set of materials was 50 to 100 samples. Samples are grinded and make a fine powder. The spectral data acquisition was carried out using FT-NIR spectrometer with a integrating sphere. NIR methods successfully identify the sprayed fire resistive materials by a principle component analysis (PCA) after a vector normalization (SNV) pretreatment.

• Bulletin of the Korean Chemical Society
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• v.27 no.12
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• pp.2101-2103
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• 2006

• 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.1285-1285
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• 2001

For NIR measurements of papers normally diffuse reflectance accessories are used which can provide a large sampling area. The in-line process control FT-NIR spectrometer MATRIX-E enables the contactless measurement of paper samples of low silicone coat weights on label-stocks in a paper converting factory. For this study concentrations of silicone between 0 and 2 g/$m^2$ on various paper substrates were included in a quantitative method. The aim was to achieve an absolute value for the deviation from the target value of 1 g/$m^2$ during continuous movement of the paper with velocities around 400 numinute. Influences from the uncoated paper type due to supplier, color, opacity, area densities, pre-coating as well as different compounds of the agent silicone were investigated and it was found that all these papers can be represented in one PLS-model. Especially the fact that silicone as an element is present in clay coated papers is of no consequence to the measurements with MATRIX-E. Moreover during in-line installations the variation of the moisture contents in the moving paper due to variable machine velocities as well as the reflecting material of the cylinder have to be considered. It is shown that the result of the in-line calibration has the same prediction ability compared to lab scale results(Root Mean Square Error of Cross-Validation RMSECV = 0.034 g/$m^2$).

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1193-1193
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• 2001

For NIR measurements of papers normally diffuse reflectance accessories are used which can provide a large sampling area. The in-line process control FT-NIR spectrometer MATRIX-E enables the contactless measurement of paper samples of low silicone coat weights on label-stocks in a paper converting factory. For this study concentrations of silicone between 0 and 2 g/㎡ on various paper substrates were included in a quantitative method. The aim was to achieve an absolute value for the deviation from the target value of 1 g/㎡ during continuous movement of the paper with velocities around 400 m/minute. Influences from the uncoated paper type due to supplier, color, opacity, area densities, pre-coating as well as different compounds of the agent silicone were investigated and it was found that all these papers can be represented in one PLS-model. Especially the fact that silicone as an element is present in clay coated papers is of no consequence to the measurements with MATRIX-E. Moreover during in-line installations the variation of the moisture contents in the moving paper due to variable machine velocities as well as the reflecting material of the cylinder have to be considered. It is shown that the result of the in-line calibration has the same prediction ability compared to lab scale results (Root Mean Square Error of Cross-Validation RMSECV = 0.034 g/㎡).