• Title/Summary/Keyword: Molecular width

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Relationship between the Molecular Structure and the Absorption Band Shape of Organic Dye (유기색소의 흡수대 형태와 분자구조와의 상관성)

  • Jun, Kun;Gwon, Seon Yeong;Kim, Sung Hoon
    • Textile Coloration and Finishing
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    • v.27 no.4
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    • pp.270-274
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    • 2015
  • Molecules always show broad absorption band envelopes, and this results from the vibrational properties of bonds. The width of an absorption band can have an important influence on the color of a dye. A narrow band imparts a bright, spectrally pure color to the dye, whereas a broad band can give the same hue, but with a much duller appearance. Typically, half-band widths of cyanine dyes are about 25nm compared to value of over 50nm for typical merocyanine dyes. Thus, cyanine dyes are exceptionally bright. The factors influencing the width of an absorption band can be understood with reference to the Morse curves. The width of the absorption band depends on how closely the bond order of the molecules in the first excited state resembles that in the ground state. We have quantitatively evaluated the "molecular structure-absorption band shape" relationship of dye molecules by means of Pariser-Parr-Pople Molecular Orbital Method(PPP-MO).

Rejection Properties of Hydrophilic Solutes and Micro Organic Pollutants with a Hollow Fiber NF Membrane (중공사 나노여과 막분리를 이용한 친수성 용질과 미량 유기 오염물질의 배제 특성)

  • Jung, Yong-Jun;Min, Kyung-Sok
    • Journal of Korean Society on Water Environment
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    • v.21 no.2
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    • pp.205-210
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    • 2005
  • There has been a growing interest in NF membrane for drinking water treatment, because it can remove simultaneously both hardness and hazardous micro pollutants such as pesticides and THM precursors. In this work, a hollow fiber NF membrane known as a composite membrane was employed for the rejection properties of both hydrophilic solutes and micro organic pollutants, where the former was used to evaluate the molecular sieving effect of this membrane and the latter was employed for the investigation of solute-membrane interaction as hydrophobic materials. This membrane effectively rejected the hydrophilic solutes and the permeation of them was mainly controlled by the molecular sieving effects such as molecular weight and molecular width. In the case of all micro organic pollutants, the rejections were varied from 42.2% for Simazine to 91.6% for Malathion, and the parameters related to the steric hindrance could significantly play an important role in the rejection. In the batch type adsorption experiments, all micro organic pollutants were entrapped mildly on the membrane in spite of lower degree compared with that of aromatic compounds, and they were correlated with log K.

PMR in Organic Plastic Crystals (I). Pivalic Acid (유기플라스틱 결정체의 PMR 연구 (제 1 보). 피발산)

  • Stefan J. K. Choi;John D. Graham
    • Journal of the Korean Chemical Society
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    • v.19 no.3
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    • pp.149-155
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    • 1975
  • Pivalic acid, which has a globular shape and is a plastic crystal, has been examined by means of temperature-dependent with-line proton magnetic resonance spectroscopy. Results of temperature-dependent line width, second moment, and spin-lattice relaxation time studies of pivalic acid were interpreted in terms of dynamic behavior and hydrogen bonding. The dynamic behavior consists of superimposed reorientation of the methyl groups about their three-fold axes$(C_3) and of the molecule about the central C-C bond(C_3'),$ general molecular reorientation about the center of gravity, and molecular self-diffusion. Activation energies for the motional processes have been obtained from line width measurements using the modified Bloembergen, Purcell, and Pound theory and from spin-lattice relaxation time measurements. The results were compared with the Pople-Karasz theory of fusion and the agreement was found to be poor. The discrepancy was interpreted in terms of hydrogen bonding in this molecule.

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Interdiffusion at Interfaces of Binary Polymer Mixtures with Different Molecular Weights

  • 김운천;박형석
    • Bulletin of the Korean Chemical Society
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    • v.20 no.11
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    • pp.1323-1328
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    • 1999
  • Interdiffusion between two partially miscible polymers of similar chemical structures with different molecular weights is characterized theoretically by using the reptation model for the interdiffusion. This model provides more reliable results than the early Rouse model for same molecular weights, compared with the experiments. Furthermore, by introducing the molecular weight ratio R into the reptation model, we can see the dynamic effect of molecular weight on the diffusion behaviors of the asymmetric system. Near the critical point the diffusion behaviors of asymmetric binary polymer mixtures are well characterized by the interfacial width W(t), the mass transport M(t) for the different values of the Flory Χ parameter and different molecular weight ratios ofpolymers of the diffusion couple. These two quantities and composition profiles by this model give betteragreement with experiments.

A Study for the Water Droplet on a Stripe-patterned Surface (주기적 줄무늬 구조물 위의 물 액적에 관한 연구)

  • Choi, Ho-Jin;Hong, Seung-Do;Ha, Man-Yeong;Yoon, Hyun-Sik
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.22 no.2
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    • pp.64-69
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    • 2010
  • We investigated the variation in contact angle of a nano-sized water droplet on a nano stripe-patterned surface using molecular dynamics simulation. By changing the height and width of the stripe pillar, and the gap width of the stripes, we observed the contact angle of water droplet in equilibrium. When the surface energies were 0.1 and 0.3 kcal/mol, the calculated contact angles were in good agreement with the Cassie and Baxter equation. However, when the surface energy is 0.5 kcal/mol, the contact angles are observed to be perturbed along the Cassie and Baxter equation.

Turbulence in Molecular clouds : Observation versus Simulation

  • Jo, Hyeon-Jin;Gang, Hye-Seong;Ryu, Dong-Su;Kim, Jong-Su;Jo, Jeong-Yeon
    • The Bulletin of The Korean Astronomical Society
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    • v.35 no.2
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    • pp.75.2-75.2
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    • 2010
  • We have studied the statistical properties of turbulence in molecular clouds identified in the Boston University - Five College Radio Astronomy Observatory (BU-FCRAO) Galactic Ring Survey (GRS). Toward this end, the probability density function (PDF) and velocity distribution were measured for about 50 molecular clouds. We found there exists a good correlation between the PDF width and the velocity dispersion for these molecular clouds. In order to investigate how general properties of astrophysical turbulence depends on the plasma parameters such as magnetic field strength and sonic Mach number, we performed three-dimensional MHD simulations. We then examined if the observed characteristics of interstellar turbulence are consistent with theoretical results from MHD simulations.

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Effects of chromium picolinate on fat deposition, activity and genetic expression of lipid metabolism-related enzymes in 21 day old Ross broilers

  • Chen, Guangxin;Gao, Zhenhua;Chu, Wenhui;Cao, Zan;Li, Chunyi;Zhao, Haiping
    • Asian-Australasian Journal of Animal Sciences
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    • v.31 no.4
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    • pp.569-575
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    • 2018
  • Objective: This experiment was conducted to investigate the effects of chromium picolinate (CrP) on fat deposition, genetic expression and enzymatic activity of lipid metabolism-related enzymes. Methods: Two hundred forty one-day-old Ross broilers were randomly divided into 5 groups with 4 replicates per group and 12 Ross broiler chicks per replicate. The normal control group was fed a basal diet, and the other groups fed the same basal diet supplemented with 0.1, 0.2, 0.4, and 0.8 mg/kg CrP respectively. The experiment lasted for 21 days. Results: Added CrP in the basal diet decreased the abdominal fat, had no effects on subcutaneous fat thickness and inter-muscular fat width; 0.2 mg/kg CrP significantly decreased the fatty acid synthase (FAS) enzymatic (p<0.05); acetyl-CoA carboxylase (ACC) enzymatic activity decreased in all CrP groups (p<0.05); hormone-sensitive lipase (HSL) enzymatic activity also decreased, but the change was not significant (p>0.05); 0.4 mg/kg CrP group significantly decreased the lipoprotein lipase (LPL) enzymatic activity. FAS mRNA expression increased in all experimental groups, and the LPL mRNA expression significantly increased in all experimental groups (p<0.05), but not 0.2 mg/kg CrP group. Conclusion: The results indicated that adding CrP in basal diet decreased the abdominal fat percentage, had no effects on subcutaneous fat thickness and inter-muscular fat width, decreased the enzymatic activity of FAS, ACC, LPL and HSL and increased the genetic expression levels of FAS and LPL.

Raman Spectroscopy Studies of Graphene Nanoribbons and Chemical Doping in Graphene

  • Ryu, Sun-Min
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.15-15
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    • 2011
  • Atom-thick graphene membrane and nano-sized graphene objects (NGOs) hold substantial potential for applications in future molecular-scale integrated electronics, transparent conducting membranes, nanocomposites, etc. To realize this potential, chemical properties of graphene need to be understood and diagnostic methods for various NGOs are also required. To meet these needs, chemical properties of graphene and optical diagnostics of graphene nanoribbons (GNRs) have been explored by Raman spectroscopy, AFM and STM scanning probes. The first part of the talk will illustrate the role of underlying silicon dioxide substrates and ambient gases in the ubiquitous hole doping of graphene. An STM study reveals that thermal annealing generates out-of-plane deformation of nanometer-scale wavelength and distortion in $sp^2$ bonding on an atomic scale. Graphene deformed by annealing is found to be chemically active enough to bind molecular oxygen, which leads to a strong hole-doping. The talk will also introduce Raman spectroscopy studies of GNRs which are known to have nonzero electronic bandgap due to confinement effect. GNRs of width ranging from 15 nm to 100 nm have been prepared by e-beam lithographic patterning of mechanically exfoliated graphene followed by oxygen plasma etching. Raman spectra of narrow GNRs can be characterized by upshifted G band and strong disorder-related D band originating from scattering at ribbon edges. Detailed analysis of the G, D, and 2D bands of GNRs proves that Raman spectroscopy is still a reliable tool in characterizing GNRs despite their nanometer width.

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PDF properties of ISM turbulence

  • Jo, Hyeon-Jin;Gang, Hye-Seong;Ryu, Dong-Su;Kim, Jong-Su;Jo, Jeong-Yeon
    • The Bulletin of The Korean Astronomical Society
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    • v.36 no.2
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    • pp.107.1-107.1
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    • 2011
  • Density Probability Distribution Functions (PDFs) are a classic statistical way to study properties of Interstellar Medium (ISM) turbulence. In our three-dimensional MHD simulations, density PDFs of the position-position velocity (PPV) spaces are close to a log-normal distribution. the PDF widths depend on the plasma parameters such as magnetic strength and sonic Mach number. Futhermore, we compare these simulations results to Galactic molecular clouds observed by Jackson et. al (2006). By fitting of the velocity dispersion in the spectral line observation, volume density PDFs of the defined molecular clouds indicate that the sound speeds of the turbulences seem to have a few times larger than the simulation results. In order to understand the inconsistency with general characteristics of turbulence, we consider other simulations inducing the turbulent flow randomly at small driving scales. We find that the density PDF width decreases at more smaller driving scale. Finally, the simulations suggest that sources of ISM turbulence in Galactic molecular clouds can be important on small scales.

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Study of molecular motion by 1H NMR relaxation in ferroelectric LiH3(SeO3)2, Li2SO4·H2O, and LiN2H5SO4 single crystals

  • Park, Sung Soo
    • Journal of the Korean Magnetic Resonance Society
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    • v.20 no.1
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    • pp.1-6
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    • 2016
  • The proton NMR line widths and spin-lattice relaxation rates, $T_1^{-1}$, of ferroelectric $LiH_3(SeO_3)_2$, $Li_2SO_4{\cdot}H_2O$, and $LiN_2H_5SO_4$ single crystals were measured as a function of temperature. The line width measurements reveal rigid lattice behavior of all the crystals at low temperatures and line narrowing due to molecular motion at higher temperatures. The temperature dependences of the proton $T_1^{-1}$ for these crystals exhibit maxima, which are attributed to the effects of molecular motion by the Bloembergen - Purcell - Pound theory. The activation energies for the molecular motions of $^1H$ in these crystals were obtained. From these analysis, $^1H$ in $LiH_3(SeO_3)_2$ undergoes molecular motion more easily than $^1H$ in $LiN_2H_5SO_4$ and $Li_2SO_4{\cdot}H_2O$ crystals.