• Title/Summary/Keyword: Simulated IR spectrum

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Pure-spectrum separation From simulated IR spectral data using Independent-component analysis (독립성분 분석을 이용한 순수 스펙트럼 분리)

  • 한상준;조혜민;윤길원
    • Proceedings of the Optical Society of Korea Conference
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    • 2002.07a
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    • pp.148-149
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    • 2002
  • 중적외선 분광학(mid-IR spectrocopy) 에서는 2.5~15 $\mu\textrm{m}$ 의 파장을 갖는 적외선을 시료에 조사하여 absorption spectrum 을 측정하는데 이 대역은 주로 분자들의 fundamental band 가 나타나는 영역으로 각 분자의 characteristic absorption band 가 비교적 깨끗하게 분리되어 있어 특정 compound 의 존재 유무를 확인하는데 쓰여 왔다. 그러나 보통의 경우에 시료에는 한 가지 화합물만이 존재하는 것이 아니고 여러 가지 화합물이 섞여 있는 경우가 많다. (중략)

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A Study on the Coherence of the Precipitation Simulated by the WRF Model during a Changma Period in 2005 (WRF 모델에서 모의된 2005년 장마 기간 강수의 동조성 연구)

  • Byon, Jae-Young;Won, Hye-Young;Cho, Chun-Ho;Choi, Young-Jean
    • Atmosphere
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    • v.17 no.2
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    • pp.115-123
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    • 2007
  • The present study uses the GOES IR brightness temperature to examine the temporal and spatial variability of cloud activity over the region $25^{\circ}N-45^{\circ}N$, $105^{\circ}E-135^{\circ}E$ and analyzes the coherence of eastern Asian summer season rainfall in Weather Research and Forecast (WRF) model. Time-longitude diagram of the time period from June to July 2005 shows a signal of eastward propagation in the WRF model and convective index derived from GOES IR data. The rain streaks in time-latitude diagram reveal coherence during the experiment period. Diurnal and synoptic scales are evident in the power spectrum of the time series of convective index and WRF rainfall. The diurnal cycle of early morning rainfall in the WRF model agrees with GOES IR data in the Korean Peninsula, but the afternoon convection observed by satellite observation in China is not consistent with the WRF rainfall which is represented at the dawn. Although there are errors in strength and timing of convection, the model predicts a coherent tendency of rainfall occurrence during summer season.

Infrared Multiphoton Dissociation Spectroscopy of Protonated 1,2-Diaminoethane-water Clusters: Vibrational Assignment via the MP2 Method

  • Boo, Bong Hyun;Kang, Sukmin;Furuya, Ari;Judai, Ken;Nishi, Nobuyuki
    • Bulletin of the Korean Chemical Society
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    • v.34 no.11
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    • pp.3327-3334
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    • 2013
  • Infrared multiphoton dissociation (IRMPD) spectra of various protonated 1,2-diaminoethane-water clusters DAE-$H^+-(H_2O)_n$ (n = 1-6) were measured in the wavelength range of 3000-3800 $cm^{-1}$. The IRMPD spectra of the well separated ionic clusters were simulated by the MP2 method employing various basis sets. Comparison of the IRMPD spectra with the theory indicates that each cluster may exist as several low-lying conformers, and the sum spectra of the various conformers reveal almost one to one correspondence between theory and experiment. Free N-H and O-H stretches are observed in the ranges of 3400-3500 and 3600-3800 $cm^{-1}$, respectively. The $O-H{\cdots}N$ and $N-H{\cdots}O$ stretches are, however, observed in the broad region of 3000-3600 $cm^{-1}$. The theoretical calculations on DAE-$H^+-(H_2O)_n$ (n = 1-4) show gradual decrease of the average binding energy between DAE-$H^+$ and $H_2O$ as the cluster size increases, attaining the lowest value of 55 kJ/mol when n = 4. We found a low energy barrier of 21 kJ/mol to the isomerization converting the lowest energy cluster of DAE-$H^+-(H_2O)_n$ to the second lowest one.

Screening of Effective Components from Kale to Inhibit N - Nitrosodimethylamine Formation (케일로부터 N-Nitrosamine 생성을 억제시키는 유효성분의 검색)

  • 정미자;이수정;최선영;성낙주
    • Journal of the Korean Society of Food Science and Nutrition
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    • v.32 no.2
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    • pp.223-229
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    • 2003
  • An amine rich diet with nitrate was incubated in simulated saliva, gastric juice, kale juice, and its ascorbate and methanol soluble portions (5, 10, 15 and 30 mL) for 1 hr at 37$^{\circ}C$ and N-nitrosodimethylamine (NDMA) was detected in the digestion sample, Kale juice and its ascorbate and methanol soluble portions at 30mL inhibited NDMA formation by 60.1$\pm$4.4%, 49.3$\pm$1.2% and 50.1$\pm$2.0%, respectively. The methanol soluble portion was further fractionated by preparative-LC (prep-LC). Nitrite-scavenging effects of 7 methanol soluble portion (Kl, K2, K3, K4, K5, K6 and K7) in kale juice were 2.0 ~56.2%. Among seven fractions, K3, K4, K5 and K7 exhibited weakly on nitrite scavenging effect. Fraction Kl and K2 inhibited NDMA formation by 71.0 and 65.5%, respectively. Fraction Kl and K2 was further separated by prep-LC into 6 subfractions (Kla, Klb, Klc, K2a, K2b and 2nc). Those subfractions inhibited NDMA formation by 40.9 ~80.4%. The K2a subfraction was screened by MS, $^1$H-NMR, $^{13}$ C-NMR and DEPT spectrum.