• Near Infrared Analysis
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• v.1 no.2
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• pp.9-20
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• 2000

Recently, near-infrared (NIR) spectroscopy and Raman spectroscopy have received keen interest as powerful techniques for nondestructive analysis of biological materials. The purpose of this review paper is to compare the advantages of NIR and Raman spectroscopy in the nondestructive analysis. Both methods are quite unique and often complementary. For example. NIR spectroscopy is very useful in monitoring in situ the content of components inside biological materials while Raman spectroscopy is very suitable for identifying micro-components on the surface of biological materials. In this article specific characters of the two spectroscopic methods are discussed first and then several examples of applications of NIR and Raman spectroscopy to the biological nondestructive analysis are introduced.

• 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.

• Analytical Science and Technology
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• v.24 no.6
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• pp.519-526
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• 2011

Chemometrics using near-infrared (NIR) and Raman spectroscopy have found significant uses in a variety quantitative and qualitative analyses of pharmaceutical products in complex matrixes. Most of the pharmaceutical can be measured directly with little or no sample preparation using these spectroscopic methods. During pharmaceutical manufacturing process, analytical techniques with no or less sample preparation are very critical to confirm the quality. This study showed NIR and Raman spectroscopy with principal component analysis (PCA) was very effective for the blending processing control. It is of utmost importance to evaluate critical parameters related to quality of products during pharmaceutical processing. The blending is confirmed by off-line determination of active pharmaceutical ingredient (API) by a conventional method such as high performance liquid chromatography (HPLC) and UV spectroscopy. These analytical methods are time-consuming and ineffective for real time control. This study showed the possibility for the determination of blend uniformity end-point of CR tablets with the use of both NIR and Raman spectroscopy. The samples were acquired from six positions during blending processing with U-type blender from 0 to 30 min. Using both collected NIR and Raman spectral data, principal component analysis (PCA) was used to follow the uniformity of blending and finally determine the end-point. The variation of homogeneity of six samples during blending was clearly found and blend uniformity end-point was successfully confirmed in the domains of principal component (PC) scores.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1081-1081
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• 2001

The constant need for quality improvement and production rationalization in the chemical and related industries has led to the increasing replacement of conservative control procedures by more specific and environmentally compatible analytical techniques. In this respect, vibrational spectroscopy has developed over the last yews - in combination with new instrumental accessories and statistical evaluation procedures - to one of the most important analytical tools for industrial chemical quality control and process monitoring in a wide field of applications. In the present communication this potential is demonstrated in order to further support the implementation of mid-infrared (MIR), near-infrared (NIR) and Raman spectroscopy Primarily as industrial on-line tools. To this end the data of selected feasibility studies will be discussed in terms of the individual strengths of the different techniques for the respective application.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.31 no.4
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• pp.483-489
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• 2007

We have investigated quantitative measurement techniques of the degree of dispersion of single-walled carbon nanotubes (SWNTs). SWNTs were suspended in aqueous media using a sodium dodecyl sulfate (SDS) surfactant. SWNTs with different dispersion states were prepared by controlling the intensity and time of sonication and centrifugation. The laser spectroscopic techniques were employed to characterize the dispersion state; i.e., raman fluorescence and absorption spectroscopic techniques. Raman spectroscopy has been used to probe the dispersion and aggregation state of SWNTs in solution. Individually suspended SWNTs show increased fluorescence peaks and decreased roping peaks at a raman shift 267 $cm^{-1}$ compared with the samples containing bundles of SWNTs. The ultraviolet-visible-near infrared (UV-vis-NIR) absorption spectrum of decanted supernatant samples show sharp van Hove singularity peaks

• Korean Journal of Agricultural Science
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• v.50 no.4
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• pp.675-696
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• 2023

Terpenoids, also referred to as terpenes, are a large family of naturally occurring chemical compounds present in the essential oils extracted from medicinal plants. In this study, a nondestructive methodology was created by combining ATR-FT-IR (attenuated total reflectance-Fourier transform infrared), and Raman spectroscopy for the terpenoids assessment in medicinal plants essential oils from ten different geographical locations. Partial least squares regression (PLSR) and support vector regression (SVR) were used as machine learning methodologies. However, a deep learning based model called as one-dimensional convolutional neural network (1D CNN) were also developed for models comparison. With a correlation coefficient (R²) of 0.999 and a lowest RMSEP (root mean squared error of prediction) of 0.006% for the prediction datasets, the SVR model created for FT-IR spectral data outperformed both the PLSR and 1 D CNN models. On the other hand, for the classification of essential oils derived from plants collected from various geographical regions, the created SVM (support vector machine) classification model for Raman spectroscopic data obtained an overall classification accuracy of 0.997% which was superior than the FT-IR (0.986%) data. Based on the results we propose that FT-IR spectroscopy, when coupled with the SVR model, has a significant potential for the non-destructive identification of terpenoids in essential oils compared with destructive chemical analysis methods.

• Journal of the Korean Ceramic Society
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• v.39 no.3
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• pp.265-271
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• 2002

Density, water resistance, Raman and infrared spectroscopy were used to investigate the change of structural characteristics with the composition of phosphate galss samples made by melting method. The structural abnormality of the density and water resistance were rapidly increased and shown near the 60mol% of $P_2O_5$. This result could be explained by the structural changes owing to the strong shrinkage of glass network by the coordination of DBO(Double-Bonded Oxygen) around $Mg^{2+}$ cations. In addition, it seems that the DBOs coordinating $Mg^{2+}$ cations lose its characteristics of double bonding and resonate with other NBOs(Non-Bonding Oxygen).

• Proceedings of the Korea Crystallographic Association Conference
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• 2002.11a
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• pp.15-15
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• 2002

Homogeneous and crack-free potassium lithium niobate (K₃Li/sub 2-x/Nb/sub 5+x/O/sub 15/, 0＜x＜0.5, KLN) single crystals were successfully grown by the Czochralski technique. The KLN single crystals of several different compositions were employed for the investigation of the lattice vibration spectra using infrared Raman spectroscopy. The characteristic Raman spectra of the [NbO/sub 6/]/sup 7-/ octahedral ions were strikingly influenced by the Li ion content. The symmetric stretch vibrational modes V₁, V₂ are broadened, and the symmetric bend vibration mode V/sub 5/ is broadened and even split into three peaks with increasing the Li content, supporting that the bend vibration modes of the [NbO/sub 6/]/sup 7-/ octahedrons are obviously perturbed by Li ions in the C site. Enhanced Raman peak intensities after the post annealing at 900℃ and for 24 h evidenced that a residual stress in as-grown crystals was negligible and only a defect concentration might be reduced.

• Proceedings of the Korean Society of Precision Engineering Conference
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• 2004.10a
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• pp.467-470
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• 2004

Diamond-Like Carbon (DLC) thin film is a semiconductor with high mechanical hardness, low friction coefficient, high chemical inertness, and optical transparency. DLC thin films have widespread applications as protective coatings and solid lubricant coatings in areas such as Hard Disk Drive (HDD) and Micro-Electro-Mechanical-Systems (MEMS). In this work, the wear characteristics of DLC thin films deposited on silicon substrates using a DC-magnetron sputtering system were analyzed. The wear tracks were measured with an Atomic Force Microscope (AFM). To identify the sp2 and sp3 hybridization of carbon bonds and other bonds Raman spectroscopy was used. The structural information of DLC thin films was obtained with Fourier transform infrared spectroscopy and wear tests were conducted by using a micro-pin-on-reciprocator tester. Results showed that the wear characteristics were dependent on the sputtering conditions. The wear rate could be correlated with the bonding state of the DLC thin film.

• Proceedings of the Korean Society of Potoscience Conference
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• spring
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• pp.47-48
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• 1999