• 제목/요약/키워드: Difference spectra

검색결과 312건 처리시간 0.023초

스틸벤의 치환기 효과에 대한 분자궤도함수론적 해석 (Mo Interpretation for the Substituent Effect of Stilbenes)

  • 임성미;박병각;이갑용
    • 대한화학회지
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    • 제36권1호
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    • pp.38-43
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    • 1992
  • 치환 스틸벤 계열에 대해 HMO법으로 Hammett치환기 상수를 해석하였다. 이 계열에서 치환기 상수에 대한 유도효과와 공명효과의 기여를 양자화학적 지수로 취하여 계산한 이론값이 Hammett 치환기 상수 ${\sigma}_p$와 병행성이 있음을 알았으며 이 이론값으로 치환 스틸벤의 쌍극자능륙에 미치는 치환기 효과를 설명할 수 있었다. 아울러 이 화합물의 전자전이에 대한 최대 흡수파장$({\lambda}_{max})$은 HOMO와 LUMO 에너지의 창에 의존됨이 확인되었다.

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Ortho-to-Para Ratio Studies of Shocked $H_2$ Gas Observed from Two Supernova Remnants IC 443 and HB 21

  • 신종호;이호규;문대식
    • 천문학회보
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    • 제38권1호
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    • pp.48.2-48.2
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    • 2013
  • We present the near-infrared spectra (2.5-5.0 um) of shocked $H_2$ gas, observed with the Infrared Camera onboard the satellite AKARI. Two supernova remnants, IC 443 and HB 21, were observed. IC 443 shows a hint of non-equilibrium ortho-to-para ratio (OPR): 2.4 (-0.2, +0.3). HB 21 also shows an indication of a potential non-equilibrium OPR: 1.8-2.0. These non-equilibrium OPRs are first reported for shocked $H_2$ gas at E(v,J) > 7000 K, as far as we are aware. We concluded that the non-equilibrium OPR probably originates from dissociative J-shocks, considering several factors such as the shock combination requirement, the line ratios, and the possibility that $H_2$ gas can form on grains with a non-equilibrium OPR. The difference in the collision energy of H atoms on grain surfaces would give rise to the observed difference between the OPRs of IC 443 and HB 21, if dissociative J-shocks are responsible for the $H_2$ emission. Our study suggests that shocked-then-cooled $H_2$ gas may play as a heat reservoir with the non-equilibrium OPR.

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Identification of 1H-NMR characteristics for black ginger specimens from different places of origin

  • Kwon, Hyeok;Lee, Sojung;Hong, Sukyung;Kiyonga, Alice Nguvoko;Yi, Jong-Jae;Jung, Kiwon;Son, Woo Sung
    • 한국자기공명학회논문지
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    • 제23권4호
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    • pp.93-97
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    • 2019
  • Black ginger (Kaempferia parviflora) is a short-lived ginger plant with dark purple colored root and is known to be effective in treating diabetes and obesity. To find out the difference in the characteristics of the black ginger according to the variety of production, 1D proton NMR experiments were performed on 4 types of black gingers from different regions. The NMR spectra of all black ginger showed the characteristic peaks of the polymethoxy flavone compounds, and the chemical shifts and intensity of peaks showed slight differences depending of the type of black ginger implying the difference in molecular environment. These initial NMR experiments can be applied to the identification of the diversity of black ginger in physiological function according to the climate of regions using SNIF-NMR (Site-specific Natural Isotope Fractionation studied by NMR).

전해 산화제에 의한 악취 원인 VOCs 제거 특성 (Characteristics of odorous VOCs removal by using electrolytic oxidant)

  • 이태호;류희욱
    • 실내환경 및 냄새 학회지
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    • 제17권4호
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    • pp.381-388
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    • 2018
  • In this study, various conditions and phenomena that occur in the process of removing odorous VOCs by using electrolyzed oxidant were examined. The formation of hypochlorous acid, which is an oxidant produced by electrolysis, was investigated and the properties of the oxidizing agent used to decompose toluene, xylene, and cyclohexane were investigated. As a result, it was found that the production rate and the final concentration of the oxidizing agent increased with the current density. It was found that the degree of removal varies depending on the property of each pollutant. Interestingly, in the batch experiments in which the pH of the produced oxidant was controlled, it was found that the degree of elimination varied depending on the pH of the substance. These results suggest that the difference in the concentration and distribution of hypochlorous acid (HOCl) and hypochlorite ($OCl^-$) due to the pH change leads to the difference in oxidizing power on the oxidation characteristics of each substance. Styrene and terpineol showed better degradation characteristics than toluene and xylene in odorous VOC removal experiments by spraying electrolytic oxidant using a lab-scale continuous reactor. In conclusion, the removal of odorous VOCs by the electrolytic oxidant can have various applications in that it can oxidize pollutants of various spectra.

Complete Relaxation and Conformational Exchange Matrix (CORCEMA) Analysis of Saturation Transfer Difference (STD) NMR Spectra of Ligand-Protein Complexes

  • Krishna, N.Rama;Jayalakshmi, V.
    • 한국자기공명학회논문지
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    • 제6권2호
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    • pp.94-102
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    • 2002
  • An interesting recent application of intermolecular NOE experiment is the saturation transfer difference NMR(STD-NMR) method that is useful in screening compound libraries to identify bio-active ligands. This technique also identifies the group epitopes of the bound ligand in a reversibly forming protein-ligand complex. We present here a complete relaxation and conformational exchange matrix (CORCEMA) theory (Moseley et al., J. Magn. Reson. B, 108, 243-261 (1995)) applicable for the STD-NMR experiment. Using some ideal model systems we have analyzed the factors that influence the STD intensity changes in the ligand proton NMR spectrum when the resonances from some protons on the receptor protein are saturated. These factors will be discussed and some examples of its application in some model systems will be presented. This CORCEMA theory for STD-NMR and the associated algorithm are useful in a quantitative interpretation of the STD-NMR effects, and are likely to be useful in structure-based drug design efforts. They are also useful in a quantitative characterization of protein-protein (or protein-nucleic acid) contact surfaces from an intermolecular cross-saturation NMR experiment.

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Study on the realtionship between phthalic and naphthalenic polyimide structures and the photo-induced molecular orientaion of liquid crystals on polyimides

  • Cho, Ki-Yun;Sung, Shi-Joon;Hah, Hyun-Dae;Park, Jung-Ki
    • 한국정보디스플레이학회:학술대회논문집
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    • 한국정보디스플레이학회 2004년도 Asia Display / IMID 04
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    • pp.1167-1168
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    • 2004
  • Polarized ultraviolet irradiation techniques have been developed recently to produce alignment of liquid crystals (LC). Because of the excellent thermal stability and the alignment ablility of polyimides, polyimides has attracted considerable research interest for the photoinduced alignment layer. Hasegawa and Taira confirmed homogeneous alignment of LC by the decompostion of a polyimide induced by lineraly ultra-violet polarized light. It was reported that ultraviolet visible absorption spectra of a polyimide alignment film showed a remarkable change upon irradiation. In this study, we synthesized phthalic polyimide and a naphthalenic polyimide in order to investigate the effect of the polyimide structure. Some difference in terms of the photo-induced molecular orientaion of liquid crystals were observed with the polyimide structure.

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Polythiophene의 전기화학적 도핑과 변색 스위치에 관한 연구 (A study on the color change switch and electrochemical doping of polythiophene)

  • 구할본;김주승;김현철;김종욱
    • E2M - 전기 전자와 첨단 소재
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    • 제9권2호
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    • pp.165-173
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    • 1996
  • We prepared polythiophene and poly(3-methylthiophene) films, known as conducting polymer, by electrochemical method. Polythiophene and poly(3-methylthiophene) films were doped and undoped dopant for the studing the understanding of doping mechanism and possible application to the color change switch. We observed that the anodic, cathodic wave and absorption spectra were slightly changed during doping and undoping process in polythiophene. It shows that doping and undoping process were showed some difference by the appearance and disappearance of polaron and bi-polaron. In the relation of the peak of oxidative current density and potential sweep rate of cyclic voltammograms, the amount of dopant in polythiophene film was homogeneously increased at low scan rate. This also can be applied to the poly(3-methlythiophene).

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Energy Relaxation Dynamics of Excited Triplet States of Directly Linked Zn(II)Porphyrin Arrays

  • Song, Nam-Woong;Cho, Hyun-Sun;Yoon, Min-Chul;Aratani, Naoki;Osuka, Atsuhiro;Kim, Dong-Ho
    • Bulletin of the Korean Chemical Society
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    • 제23권2호
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    • pp.271-276
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    • 2002
  • The energy relaxation dynamics of the lowest excited singlet and triplet states of the Zn(II)porphyrin monomer and its directly linked arrays were comparatively investigated with increasing the number of porphyrin moieties. While the fluorescence decay rates and quantum yields of the porphyrin arrays increased with the increase of porphyrin units, their triplet-triplet (T-T) absorption spectra and decay times remained almost the same. The difference in the trends of energy relaxation dynamics between the excited singlet and triplet states has been discussed in view of the electronic orbital configurations.

Prediction of the Secondary Structure of the AgfA Subunit of Salmonella enteritidis Overexpressed as an MBP-Fused Protein

  • Won, Mi-Sun;Kim, So-Youn;Lee, Seung-Hwan;Kim, Chul-Jung;Kim, Hyun-Su;Jun, Moo-Hyung;Song, Kyung-Bin
    • Journal of Microbiology and Biotechnology
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    • 제11권1호
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    • pp.164-166
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    • 2001
  • To examine the characteristics of the recombinant thin aggregative fimbriae of Salmonella, the AgfA subunit gene was amplified from Salmonella enteritidis using a PCR. The maltose binding protein (MBP)-AgfA fusion protein was overproduced in E. coli and purified. The secondary structure of AgfA was then elucidated from the difference CD spectra. An estimation of the secondary structure of AgfA using the self-consistent method revealed a mostly ${\beta}-sheet$ structure.

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음향파 공명 산란의 새로운 해석방법 (A new method for extracting resonance information in acoustic wave resonance scattering)

  • 이희남;박영진
    • 한국소음진동공학회:학술대회논문집
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    • 한국소음진동공학회 1998년도 춘계학술대회논문집; 용평리조트 타워콘도, 21-22 May 1998
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    • pp.504-509
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    • 1998
  • A new method is proposed for the isolation of resonances from scattered waves for acoustic wave resonance scattering problems. The resonance scattering function consisting purely of resonance information is defined. Acoustic wave scattering from a variety of submerged bodies is numerically analyzed. The classical resonance scattering theory (RST) and the new method compute identical magnitude of the resonance from each scattered partial wave, however, the phases are significantly different. The exact .pi.-radians phase shifts through the resonance and anti-resonance show that the proposed method properly extracts the vibrational resonance information of the scatterer. Due to the difference in the phase of each, partial wave, the new method and RST generate different total resonance spectra.

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