• Bulletin of the Korean Chemical Society
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• 제18권6호
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• pp.588-594
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• 1997

Gelation time, gel structure and volatility of by-products during gelation of PZT sol-gel processing were investigated by FT-IR spectroscopy. FT-IR spectroscopic study was performed on PZT gels with the various H₂O contents (1, 2 and 3 mol) and the several types (HNO₃, NH₄OH) and amounts (0.1, 0.2 mol) of catalysts, monitoring temporal (0, 1, 3, 10 weeks, 3 months and 3 years) and thermal (100-700 ℃) changes of FT-IR spectra. The interpretation of temporal change of the spectra revealed two trends. One is under the condition of 1 mol H₂O, 1 mol H₂O+0.1 mol HNO₃, 3 mol H₂O and the other is for 1 mol H₂O+0.1 mol NH₄OH, 2 mol H₂O, 1 mol H₂O+0.2 mol HNO₃. The gel structures and the gelation times for these conditions were discussed in comparison with the reported results of SiO₂, and we suggested the reaction mechanisms for these structural characteristics. Thermal variation of FT-IR spectra was interpreted as the evolution processes of gel by investigating the evaporation of solvent and the decomposition of organic residues.

• Bulletin of the Korean Chemical Society
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• 제35권2호
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• pp.531-538
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• 2014

The quantum mechanical properties of a series of oligo-para-phenylenes (2-11) were characterized using DFT B3LYP/6-311G(d,p) calculations. The global minimum among the various torsional conformers of an oligo-p-phenylene is calculated to be a twist conformation. A less stable planar conformation, in which all the dihedral angles in oligo-p-phenylene are restricted to be planar, has also been calculated. The total electronic energies, normal vibrational modes, Gibbs free energies, and HOMOs and LUMOs of the two different conformations (twisted and planar) of the oligo-p-phenylenes were analyzed. The energy differences between the HOMOs and LUMOs of the substrates are in accord with the maximum absorption peaks of the experimental UV spectra of 2-6. The calculated normal vibrational modes of 2-6 were comparable with their experimental IR spectra.

• 펄프종이기술
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• 제48권1호
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• pp.34-42
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• 2016

In this study, we classified three copying papers and Korean, Chinese, and Japanese traditional papers using IR and/or NIR spectra and principal component analysis. Various chemicals are used when producing fine papers. In this case, the IR method to analyze functional groups is suitable for the classification of paper. On the other hand, NIR analysis is more suitable for the classification of traditional papers, as it uses nearly raw materials (pulp). Therefore, principal component analysis using IR and NIR depending on the paper production process will be the classification tool of paper.

• Journal of the Optical Society of Korea
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• 제9권4호
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• pp.151-156
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• 2005

A spatial-domain Fourier Transform (FT) infrared (IR) spectrometer coupled with a PtSi Schottky­barrier IR detector plane was developed in the spectral range of $2.0-2.5{\mu}m$ for noninvasive measurement of analyte concentrations in cell culture media during cell culture processing. A key optical component of the spectrometer is a Savart plate which is a birefringent polarizer generating coherent two rays for interfering. The spectral resolution of the spectrometer was determined as $71cm^{-1}$ (${\~}0.05{\mu}m$ at $2.5{\mu}m$). Clear IR fringe patterns were imaged on the IR detector plane. The feasibility of the spectrometer for our application was investigated by measuring absorbance spectra of glucose and fetal bovine serum (FBS) which are important compounds in cell culture media. Experiment results show that the spectral quality of glucose and FBS was comparable with the standard spectra acquired with a commercial FT-IR spectrometer, presenting the feasibility of the spectrometer to perform analyte measurement in cell culture media.

• Bulletin of the Korean Chemical Society
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• 제8권5호
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• pp.372-376
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• 1987

Acetone solution of quinoline-8-carbaldehyde reacts with $[Rh(cod)(PPh_3)_2] PF_6$and $[Ir(cod)(PPh_3)_2] PF_6$ to yield $[Rh(NC_9H_6CO)(H)(PPh_3)_2(CH_3COCH_3)] PF_6$ (1) and $[Ir(NC_9H_6CO)(H)(PPh_3)_2(CH_3COCH_3)] PF_6$ (2), respectively. The compound $[Ir(cod)(PPh_3)_2] PF_6$ also reacts with $Ph_2PC_6H_4-o-CHO$ in the acetone / $H_2O$ mixture to give $[Ir(Ph_2PC_6H_4-o-CO)(H)(PPh_3)_2(CH_3COCH_3)] PF_6$ (3). Compounds 1, 2, and 3 were characterized by infrared, $^1H$ NMR, $^{31}P$ NMR spectra and conductivity measurement. The $^1H$ NMR spectra of 1, 2, and 3 support the presence of a terminal hydride that is cis to the phosphine. The IR band of 3 at 2185 $cm^{-1}$, which is assigned to $\nu$(Ir-H), and the hydride cleavage reaction of 3 with $CCl_4$, provide evidence for the Ir-H bond.

• Journal of Photoscience
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• 제9권2호
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• pp.457-459
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• 2002

Sunlight causes various types of adverse skin changes on the sun-exposed areas of the skin, in which the most hazardous one is the induction of malignant skin tumours. FT -IR spectra were obtained from specimens excised from normal skin, BCCs, SCCs, MMs, nevi, lesions of solar keratosis and Bowen's disease. Tissue samples from freshly frozen specimens were cut into 2 sections in strictly sequential order to be stained with H & E for histopathological analysis, and then to be air-dried on CaF$_2$ slide glasses for further spectral data acquisition from defined area of interest. Intra- and inter-sample variations were estimated within grouped lesion categories according to each skin component. Mean spectra for each type of tissue pathology in the 800-1800 $cm^{-1}$ / region was interpreted using the classical group frequency approach that showed the most visible differences in spectra of benign, premalignant and malignant changes directly related to protein conformation and nucleic acid bases. The relative intensity of the nucleic acid peak was increased with progression to malignancy. In addition, PCA was able to evaluate and maximise the differences in the spectra by reducing the number of variables characterizing each patient and pathology category. This type of approach to non-destructively estimate the complexity of IR-spectra of inhomogeneous samples such as skin demonstrates the advantage of FT -IR microspectroscopy to be able to observe diseased states (benign, premalignant, malignant) and distinguish them from normal against a huge background of inter- and intra-subject variability.

• 대기
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• 제25권4호
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• pp.601-610
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• 2015

This study measured the emissivity spectra of 5 major rock-forming minerals using a Fourier Transform Infrared (FT-IR) spectrometer in the spectral region of $650{\sim}1400cm^{-1}$. The mineral samples are quartz, albite, bytownite, anorthite, and sandstone. We compared emissivity spectra measured in this study with spectra provided by Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) and Arizona State University (ASU). The spectral features of emissivity such as Reststrahlen Band (RB) and Christiansen Feature (CF) locations were compared. Results showed that both CF and RB locations of emissivity spectra measured in this study were similar to those from ASTER and ASU. In the case of quartz, the RB was occurred in the region of $700{\sim}850cm^{-1}$ and $1050{\sim}1250cm^{-1}$. The spectral position of emissivity peak was in good agreement with the location of ASTER and ASU. For plagioclase (albite, bytownite, and anorthite), the spectral location of CF was shifted toward larger wavenumber and the emissivity value was increased in the region of $870{\sim}1200cm^{-1}$ with Ca percentage. The CF of anorthite and bytownite was occurred at $1245.79cm^{-1}$, and that of albite was occurred at $1283.79cm^{-1}$. We also confirmed that emissivity feature of sandstone includes both emissivity features of quartz and calcite. However, there were some differences in the magnitude of emissivity and locations of RB and CF. These were due to the differences in measurement methods, and differences in particle size and temperature of samples.

• Bulletin of the Korean Chemical Society
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• 제31권7호
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• pp.1875-1880
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• 2010

A dicycle pyrazoline derivative, 1-phenyl-5-(p-fluorophenyl)-3,4-($\alpha$-p-fluoro-tolylenecyclohexano) pyrazoline, was synthesized and characterized by elemental analysis, IR, UV-vis, fluorescence spectra and X-ray single crystal diffraction. Density function theory (DFT) calculations were performed by using B3LYP method with 6-$311G^{**}$ basis set. The optimized geometry can well simulate the molecular structure. Vibrational frequencies were predicted, assigned and compared with the experimental values, which suggest that B3LYP/6-$311G^{**}$ method can well predict the IR spectra. Both the experimental electronic absorption spectra and the predicted ones by B3LYP/6-$311G^{**}$ method reveal three electron-transition bands, with the theoretical ones having some red shifts compared with the experimental data. Natural bond orbital analyses indicate that the absorption bands are mainly derived from the contribution of n $\rightarrow\pi^*$ and $\pi\rightarrow\pi^*$ transitions. Fluorescence spectra determination shows that the title compound can emit blue-light at about 478 nm. On the basis of vibrational analysis, the thermodynamic properties of title compound at different temperature have been calculated, revealing the correlations between $C^0_{p,m}$, $S^0_m$, $H^0_m$ and temperature.

• 한국환경보건학회지
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• 제27권1호
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• pp.36-43
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• 2001

Chitosans were prepared from red crab chitin under various alkali treatment conditions(different alkali concentrations, reaction times and temperatures) and theirphysicochemical properties were investigated. The nitrogen content and deacetylation degree of red crab chitin were 6.15% and 22.17A%, respectively. By the IR spectra, red crab and reference chitin showed the sharp bands at 1650 $cm^{-1}$ / and 1550 $cm^{-1}$ /, which are characteristic of chitin. The nitrogen contents of prepared chitosans ranged from 6.19~7.48%. Thedeacetylation degree was increased from 63~76% and 48~78% with increasing reaction time and temperature, whereas viscosity was decreased. The nitrogen content and yield of red crab chitosan perpared from chitin with 50% NaOH, 1:25(w/v) for 3.0 hr at 120$cm^{-1}$ / were 7.26% and 85.0%, respectively. and viscosity, deacetylation degree and molecular weight, 67.0 mPa.s, 75.0% and 6.5$\times$10$^{5}$ Dalton, respectively. From the IR spectra, the amide absorption bands of red crab and reference chitosan became very weak, similarly. And at solid state $^{13}$ C-NMR spectra, C=O(carbonyl carbon) signals absent, whereas $CH_3$(methyl carbon) was residues. Chemical shift of $^{13}$ C-NMR spectra of red crab and reference chitosans were in good agreement with slight experimental deviation.

• Current Optics and Photonics
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• 제6권1호
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• pp.92-103
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• 2022

The development of midinfrared (mid-IR) quantum cascade lasers (QCLs) has enabled rapid high-contrast measurement of the mid-IR spectra of biological tissues. Several studies have compared the differences between the mid-IR spectra of colon cancer and noncancerous colon tissues. Most mid-IR spectrum classification studies have been proposed as machine-learning-based algorithms, but this results in deviations depending on the initial data and threshold values. We aim to develop a process for classifying colon cancer and noncancerous colon tissues through a deep-learning-based convolutional-neural-network (CNN) model. First, we image the midinfrared spectrum for the CNN model, an image-based deep-learning (DL) algorithm. Then, it is trained with the CNN algorithm and the classification ratio is evaluated using the test data. When the tissue microarray (TMA) and routine pathological slide are tested, the ML-based support-vector-machine (SVM) model produces biased results, whereas we confirm that the CNN model classifies colon cancer and noncancerous colon tissues. These results demonstrate that the CNN model using midinfrared-spectrum images is effective at classifying colon cancer tissue and noncancerous colon tissue, and not only submillimeter-sized TMA but also routine colon cancer tissue samples a few tens of millimeters in size.