• Title/Summary/Keyword: IR spectra

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Study on Rapid Measurement of Wood Powder Concentration of Wood-Plastic Composites using FT-NIR and FT-IR Spectroscopy Techniques

  • Cho, Byoung-kwan;Lohoumi, Santosh;Choi, Chul;Yang, Seong-min;Kang, Seog-goo
    • Journal of the Korean Wood Science and Technology
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    • v.44 no.6
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    • pp.852-863
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    • 2016
  • Wood-plastic composite (WPC) is a promising and sustainable material, and refers to a combination of wood and plastic along with some binding (adhesive) materials. In comparison to pure wood material, WPCs are in general have advantages of being cost effective, high durability, moisture resistance, and microbial resistance. The properties of WPCs come directly from the concentration of different components in composite; such as wood flour concentration directly affect mechanical and physical properties of WPCs. In this study, wood powder concentration in WPC was determined by Fourier transform near-infrared (FT-NIR) and Fourier transform infrared (FT-IR) spectroscopy. The reflectance spectra from WPC in both powdered and tableted form with five different concentrations of wood powder were collected and preprocessed to remove noise caused by several factors. To correlate the collected spectra with wood powder concentration, multivariate calibration method of partial least squares (PLS) was applied. During validation with an independent set of samples, good correlations with reference values were demonstrated for both FT-NIR and FT-IR data sets. In addition, high coefficient of determination (${R^2}_p$) and lower standard error of prediction (SEP) was yielded for tableted WPC than powdered WPC. The combination of FT-NIR and FT-IR spectral region was also studied. The results presented here showed that the use of both zones improved the determination accuracy for powdered WPC; however, no improvement in prediction result was achieved for tableted WPCs. The results obtained suggest that these spectroscopic techniques are a useful tool for fast and nondestructive determination of wood concentration in WPCs and have potential to replace conventional methods.

Mechanism of Orientation of Liquid Crystal Molecules for Polarized UV-exposed Polyimide Alignment Layers (폴리애미드 배향막의 편광 자외선 조사에 따른 액정 배향 메카니즘)

  • 김일형;김욱수;하기룡
    • Polymer(Korea)
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    • v.26 no.2
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    • pp.209-217
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    • 2002
  • We studied the mechanism of orientation of polyimide molecules which were irradiated by polarized UU (PUV) using polarized Fourier transform infrared (FT-IR) spectroscopy and ultraviolet (UV) spectroscopy, According to the measured UV spectra, we found PI films mainly absorb UV light less than 350 nm wavelength, therefore, UV light less than 360 nm induces photochemical reaction of PI. PUV irradiation of PI films caused decrease of all peak intensities in the FT-IR spectra. except the newly formed broad peak at $3244 cm^{-1}$, due to degradation of the PI molecules. The remaining PI molecules after photo-degradation showed predominantly perpendicular molecular orientation to the irradiated PUV polarization direction, due to the preferential degradation of PI molecules parallel to irradiated PUV polarization direction. However the rubbing of PI films induced reorientation of the PI molecules parallel to the rubbing direction. We also investigated the alignment of the liquid crystal by rubbing or PUV irradiation. Liquid crystals align perpendicular to the PUV polarization direction and parallel to the rubbing direction.

Synthesis, Characterization and Biological Activity of Some Complexes of Some New Amino Acid Derivatives N-[(Benzoyl amino)-Thioxomethyl]-Amino Acid(HL) (새로운 아미노산 유도체인 N-[(Benzoyl amino)-Thioxomethyl]-Amino Acid(HL)의 착물 합성, 특성규명 및 생물학적 활성)

  • Al-Mudhaffar, Dhafir M.H.;Al-Edani, Dawood S.;Dawood, Suma M.
    • Journal of the Korean Chemical Society
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    • v.54 no.5
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    • pp.506-514
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    • 2010
  • A new series of ligands N-[(benzoylamino)-thioxomethyl]-amino acid (HL) were synthesized by reaction of benzoylisothiocyanate with various amino acids namely aspartic acid [BATA] (1), glutamic acid [BATG] (2), methionine [BATM] (3), leucine [BATL] (4), and tryptophan [BATT] (5). The ligands were characterized by elemental analysis, IR and NMR spectra. Some transition metal complexes ($ML_2$) for these ligands (6-8) were prepared; [M=Cu(II), Co(II), or Ni(II)], and characterized by elemental analysis, IR and $^1H$ NMR spectra. Antibacterial study showed that all the ligands have no antibacterial activity, whereas ($ML_2$) complexes; [M = Cu(II), Co(II), or Ni(II)] have antibacterial activity towards (Gram -ive) Escherichia (NCTC5933) and (Gram +ive) Staphylococcus (NCTC6571) and have no toxicity on (BALB/C) Albino mice.

Water Layer in Course of Corrosion of Copper in Humid Air Containing $SO_2$

  • Sasaki, Takeshi;Itoh, Jun;Ohtsuka, Toshiaki
    • Corrosion Science and Technology
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    • v.2 no.2
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    • pp.88-92
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    • 2003
  • The technique for in situ simultaneous measurements of IR-RAS and QCM, which has been developed for investigation of corrosion in gaseous environments, was employed to study the effects of an extremely thin water layer on the corrosion rate. An evaporated copper film on a QCM element was exposed to air containing water vapor and $SO_2$, and time-resolved IR-RAS spectra were measured and mass gains were simultaneously followed with QCM. The tested ranges of relative humidity (RH) and concentration of $SO_2$ were 60% - 90% and 1 - 20 ppm, respectively. On the basis of 2D-IR analysis, the corrosion products were determined to be Chevreul's salt ($CuSO_3Cu_2SO_3{\cdot}2H_2O$) and $CuSO_4{\cdot}5H_2O$. By constructing curves of the relations between band intensities of IR spectra and mass gains of QCM for the corrosion products, the time variations in each product were determined from spectral experiments on copper plates. The thicknesses of physically adsorbed water layers in course of the corrosion process were also determined from water band intensities. The results showed that the thickness of the physically adsorbed water layer increased with increase in RH, and it also increased with increase in accumulation of corrosion products. The latter is probably due to the capillary effect of the corrosion products.

Simultaneous estimation of fatty acids contents from soybean seeds using fourier transform infrared spectroscopy and gas chromatography by multivariate analysis (적외선 분광스펙트럼 및 기체크로마토그라피 분석 데이터의 다변량 통계분석을 이용한 대두 종자 지방산 함량예측)

  • Ahn, Myung Suk;Ji, Eun Yee;Song, Seung Yeob;Ahn, Joon Woo;Jeong, Won Joong;Min, Sung Ran;Kim, Suk Weon
    • Journal of Plant Biotechnology
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    • v.42 no.1
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    • pp.60-70
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    • 2015
  • The aim of this study was to investigate whether fourier transform infrared (FT-IR) spectroscopy can be applied to simultaneous determination of fatty acids contents in different soybean cultivars. Total 153 lines of soybean (Glycine max Merrill) were examined by FT-IR spectroscopy. Quantification of fatty acids from the soybean lines was confirmed by quantitative gas chromatography (GC) analysis. The quantitative spectral variation among different soybean lines was observed in the amide bond region ($1,700{\sim}1,500cm^{-1}$), phosphodiester groups ($1,500{\sim}1,300cm^{-1}$) and sugar region ($1,200{\sim}1,000cm^{-1}$) of FT-IR spectra. The quantitative prediction modeling of 5 individual fatty acids contents (palmitic acid, stearic acid, oleic acid, linoleic acid, linolenic acid) from soybean lines were established using partial least square regression algorithm from FT-IR spectra. In cross validation, there were high correlations ($R^2{\geq}0.97$) between predicted content of 5 individual fatty acids by PLS regression modeling from FT-IR spectra and measured content by GC. In external validation, palmitic acid ($R^2=0.8002$), oleic acid ($R^2=0.8909$) and linoleic acid ($R^2=0.815$) were predicted with good accuracy, while prediction for stearic acid ($R^2=0.4598$), linolenic acid ($R^2=0.6868$) had relatively lower accuracy. These results clearly show that FT-IR spectra combined with multivariate analysis can be used to accurately predict fatty acids contents in soybean lines. Therefore, we suggest that the PLS prediction system for fatty acid contents using FT-IR analysis could be applied as a rapid and high throughput screening tool for the breeding for modified Fatty acid composition in soybean and contribute to accelerating the conventional breeding.

Ab Initio Study of Vibrational Spectra of p-tert-Butylcalix[4]aryl Ester Complexed with Alkali Metal Cation (알칼리금속 양이온과 착물을 형성한 캘릭스[4]아릴에스터의 진동스펙트럼에 대한 순수양자역학적 연구)

  • Choe, Jong-In;Kim, Gwang-Ho
    • Journal of the Korean Chemical Society
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    • v.50 no.1
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    • pp.7-13
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    • 2006
  • infrared(IR) absorption spectra were calculated for the ethyl ester of p-tert-butylcalix[4]arene (1) in the cone conformer and its alkali-metal-ion complex. The vibrational spectra were obtained by restricted Hartree-Fock (RHF) calculations with the 6-31G basis set. The characteristic vibrational frequencies of various C-O and C=O stretching motions of the complexes show that the structure of 1+K+ complex is almost of C4v symmetry compared to 1+Na+ (C2v) analogue. The theoretical results for the host molecule 1 and complex (1+Na+) were compared with the experimental results, and the calculated vibrational frequencies agree well with the features of the experimental spectra.

Comparative Studies on Two Fluoro-Substituted 2-Pyrazoline Derivatives with Experimental and Theoretical Methods

  • Guo, Huan-Mei;Wang, Xian;Jian, Fang Fang;Xiao, Hai Lian;Zhao, Pu Su
    • Bulletin of the Korean Chemical Society
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    • v.30 no.5
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    • pp.1061-1066
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    • 2009
  • Two fluoro-substituted 2-pyrazoline derivatives, 1-phenyl-3-(4-methoxyphenyl)-5-(4-fluorophenyl)-2-pyrazoline (1) and 1-phenyl-3-(4-methoxyphenyl)-5-(2-fluoro-phenyl)-2-pyrazoline (2) have been synthesized and characterized by elemental analysis, IR, UV-Vis and fluorescence spectra. The crystal structure of 1 has been determined by X-ray single crystal diffraction. For the two compounds, density functional theory (DFT) calculations of the structures and natural population atomic charge analysis (NPA) have been performed at B3LYP/6-311G** level of theory. By using TD-DFT method, electron spectra of 1 and 2 have been predicted, which are very approximate with the experimental ones. Comparative studies on 1 and 2 indicate that the location change of fluorine atom in 5-position phenyl ring of 2-pyrazoline does not make significant change of geometries and electronic transition bands, but it leads to evident change of atomic charge distributions and peak intensities of UV and fluorescence spectra.

Near-Infrared Spectra of Super Star Clusters in M82

  • Nguyen, Kim Ngan N.;Pak, Soo-Jong;Im, Myung-Shin;Ho, Luis C.
    • The Bulletin of The Korean Astronomical Society
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    • v.37 no.1
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    • pp.61.2-61.2
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    • 2012
  • We observed selected super cluster regions in M82 with 5'5 arcsec field-of-view using near-IR high resolution echelle spectrometer, IRCS, at the SUBARU 8.2 m telescope. The slit width of 0.15 arcsec makes the high resolution (R ${\approx}$ 20,000) spectra in the H and K bands. In this poster, we present sample spectra of [FeII] lines and ro-vibration lines of $H_2$ which trace ionic shocks in the intercloud regions and molecular shocks. The line widths of $Br{\gamma}$ line are also measured to derive the velocity dispersion within the super star clusters.

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FTIR Spectroscopic Analysis of Structural Changes of Cellulosic Fibres During Papermaking Process

  • Kim, Hyoung-Jin
    • Journal of the Korean Wood Science and Technology
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    • v.26 no.2
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    • pp.51-58
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    • 1998
  • Structural changes of cellulosic fibres during the papermaking process were studied by analysis of FTIR spectra collected by the transmission method. The spectra were obtained from a carefully prepared handsheet, using a special infra-red (IR) cell suitable for evacuating the sample. The deconvolution technique was also applied for sharpening the FTIR spectra in the frequency range of the OH and CH stretching bands, which gave detailed information on the structural changes of cellulose. The intensity of some bands was decreased by predrying the sample as a result of the removal of adsorbed moisture. An increase in intensity of some bands in the frequency range of 3700 to $3200cm^{-1}$ was shown at a higher beating level. This increase in intensity was caused by changes in the crystal domain of cellulose resulting from the exposure of the crystalline area on the fibre surface.

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INFRARED MODEL SPECTRA FOR EVOLVING RED SUPERGIANTS

  • Suh, Kyung-Won
    • Journal of Astronomy and Space Sciences
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    • v.10 no.1
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    • pp.25-35
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    • 1993
  • Stars lose their masses constantly after their birth, but the stellar mass loss is especially prominent in the last stages of their lives. It has been believed that red superginats are losing their masses at rates of 10-8∼10-4M/yr. They are known to be asymptotic giant branch stars that are at the end stages of the evolution for the stars with zero age main sequence masses of 1∼10M. Red supergiants are often characterized by the thick dust envelopes and large amplitude pulsations. According to their energy spectra, chemical composition, they are divided into three main group; M-type Miras, C-type carbon stars, and OH/IR stars. The purpose of this work is to clarify the evolutionary aspects in the physical parameters of the red supergiants mainly from the direct interpretation of their infrared spectra.

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