• Title/Summary/Keyword: Branching

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Sn2/E2 Branching in Protic Solvents: A Mechanistic Study

  • Oh, Young-Ho;Im, Suk;Park, Sung-Woo;Lee, Sung-Yul;Chi, Dae-Yoon
    • Bulletin of the Korean Chemical Society
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    • v.30 no.7
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    • pp.1535-1538
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    • 2009
  • We present calculations for $S_N$2/E2 reactions in protic solvents (t-butyl alcohol, ethylene glycol). We focus on the role of the hydroxyl (-OH) groups in determining the $S_N$2/E2 rate constants. We predict that the ion pair E2 mechanism is more favorable than the naked ion E2 reaction in ethylene glycol. E2 barriers are calculated to be much larger (~ 9 kcal/mol) than $S_N$2 reaction barriers in protic solvents, in agreement with the experimental observation [Kim, D. W. et al. J. Am. Chem. Soc. 2006, 128, 16394] of no E2 products in the reaction of CsF in t-butyl alcohol.

Phonetic Approach or Phonological Approach: Syntax-prosody Interface in Seoul Korean

  • Utsugi, Akira
    • Speech Sciences
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    • v.11 no.4
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    • pp.207-221
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    • 2004
  • There are two different approaches in studying mapping between syntactic structure and prosody, the 'phonetic approach' and the 'phonological approach'. An experiment to examine which approach is more valid was conducted. In the experiment, syntactically ambiguous Seoul Korean sentences in each of which a noun immediately after an adjective starts with either an H-segment (a segment which triggers the AP-initial H tone) or an L-segment (a segment other than H-segments) were recorded. by 3 Seoul Korean speakers. The F0 values in the syllables containing the consonants in question were then measured. The results show that interaction between the segment type and the branching structure is statistically significant. which suggests that it is difficult to use the phonetic .approach to generalize the relationship between syntax and prosody. Thus, it is concluded that the phonological approach is more valid.

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Cell Biological Changes of Validamycin Resistant Strain in Coprinus cinereus (Coprinus cinereus에서 Validamycin 저항성균주의 세포학적 변화)

  • Shim, Jae-Yong;Choi, Hyoung-Tae;Yoon, Kwon-Sang
    • The Korean Journal of Mycology
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    • v.22 no.1
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    • pp.31-35
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    • 1994
  • Coprinus cinereus resistant strain against validamycin was successfully isolated. Germination rate of oidiospores, branching pattern, and localization of actin protein of the resistant strain were compared with normal strain. The resistant strain showed better germiantion rate of oidia (about 20 fold), more frequent branching, and even actin localization on validamycin plate where actin content was severely reduced in case of normal strain.

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Structural Dynamics Modification using Reduced Model for Having Non-matching Nodes (불일치 절점을 가지는 경우의 축약된 모델을 이용한 동특성 변경법)

  • Kang, Ok-Hyun;Park, Youn-Sik;Park, Young-Jin
    • Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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    • 2005.11a
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    • pp.830-833
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    • 2005
  • SDM(Structural Dynamics Modification) is to improve dynamic characteristics of a structure, more specifically of a base structure, by adding or deleting auxiliary(modifying) structures. In this paper, I will focus on the optimal layout of the stiffeners which are attached to the plate to maximize 1st natural frequency. Recently, a new topology method was proposed by yamazaki. He uses growing and branching tree model. I modified the growing and branching tree model. The method is designated modified tree model. To expand the layout of stiffeners, I will consider non-matching problem. The problem is solved by using local lagrange multiplier without the mesh regeneration. Moreover The CMS(Component mode synthesis) method is employed to reduce the computing time of eigen reanalysis using reduced componet models.

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Predissociation of the $A^2∑^+$ (v'=4) States of OH:Effects of Multichannel Asymptotic Interactions

  • Lee, Seong Ul
    • Bulletin of the Korean Chemical Society
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    • v.21 no.5
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    • pp.497-502
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    • 2000
  • Quantum mechanical analysis is presented for the photodissociation dynamics of the v'=4 levels of the $A^2Σ^+$ state of the OH molecule. We focus on the effects of the multichannel interactions between the asymptotically degenerate states in the recoupling region to see how they affect the dynamics near the predissociating resonances. Both the scalar (total cross section and branching ratios) and the vector properties (angular distributions and alignment parameters) of O($^3P_j, j=0, 1, 2) are treated. The resonances are predicted to be highly Lorentzian, and the branching ratios do not change much across them. Vector properties, however, show very delicate effects of the multichannel interactions and overlapping near the isolated and overlapping resonances. Computed resonance lifetimes agree reasonably well with experimental results.

Molecular Dynamics Simulation of Liquid Alkanes III. Thermodynamic, Structural, and Dynamic Properties of Branched-Chain Alkanes

  • 이송희;이홍;박형숙
    • Bulletin of the Korean Chemical Society
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    • v.18 no.5
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    • pp.501-509
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    • 1997
  • In recent papers[Bull. Kor. Chem. Soc. 1996, 17, 735; ibid 1997, 18, 478] we reported results of molecular dynamics (MD) simulations for the thermodynamic, structural, and dynamic properties of liquid normal alkanes, from n-butane to n-heptadecane, using three different models. Two of the three classes of models are collapsed atomic models while the third class is an atomistically detailed model. In the present paper we present results of MD simulations for the corresponding properties of liquid branched-chain alkanes using the same models. The thermodynamic property reflects that the intermolecular interactions become weaker as the shape of the molecule tends to approach that of a sphere and the surface area decreases with branching. Not like observed in the straight-chain alkanes, the structural properties of model Ⅲ from the site-site radial distribution function, the distribution functions of the average end-to-end distance and the root-mean-squared radii of gyration are not much different from those of models Ⅰ and Ⅱ. The branching effect on the self diffusion of liquid alkanes is well predicted from our MD simulation results but not on the viscosity and thermal conductivity.

Reaction of $FeC_5H_5^+$ Ion with Neutral Ferrocene: The Dependence of Reaction Pathways on Its Internal Energy

  • 김병주;소훈영
    • Bulletin of the Korean Chemical Society
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    • v.20 no.10
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    • pp.1181-1185
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    • 1999
  • The reaction of FeC5H5+ ion with ferrocene molecule is investigated using FT-ICR mass spectrometry. FeC5H5+ ions are generated by dissociative ionization of ferrocenes using an electron beam. The reaction gives rise to the formation of the adduct ion, Fe2(C5H5)3+, in competition with charge transfer reaction leading to the formation of ferrocene molecular ion, Fe(C5H5)2+·. The branching ratio of the adduct ion increases as the internal energy of the reactant ion decreases and correspondingly the branching ratio for the charge transfer reaction product decreases. The observed rate of the addition reaction channel is slower than that of the charge transfer reaction. The observation of the stable adduct ions in the low-pressure ICR cell is attributed to the radiative cooling of the activated ion-molecule complex. The mechanism of the reaction is presented to account for the observed experimental results.

Bilateral thyrolinguofacial trunk: unusual and rare branching pattern of external carotid artery

  • Baxla, Monica;Kumari, Chiman;Kaler, Saroj
    • Anatomy and Cell Biology
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    • v.51 no.4
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    • pp.302-304
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    • 2018
  • Prior knowledge of arterial supply to the head and neck is of substantial importance for well-planned surgeries involving the concerned region. We are reporting an unusual and rare variation in the branching pattern of external carotid artery in a 60-year-old female cadaver. A common trunk known as thyrolinguofacial trunk, originating from the anterior surface of the external carotid artery (right and left) giving of superior thyroid artery and a linguofacial trunk during a routine neck dissection. The linguofacial trunk then divided into a lingual and a facial artery. Vascular abnormalities are usually detected either on the dissection table or by the radiologists during imaging or accidently during surgeries leading to serious consequences.

Dynamic fracture instability in brittle materials: Insights from DEM simulations

  • Kou, Miaomiao;Han, Dongchen;Xiao, Congcong;Wang, Yunteng
    • Structural Engineering and Mechanics
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    • v.71 no.1
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    • pp.65-75
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    • 2019
  • In this article, the dynamic fracture instability characteristics, including dynamic crack propagation and crack branching, in PMMA brittle solids under dynamic loading are investigated using the discrete element method (DEM) simulations. The microscopic parameters in DEM are first calibrated using the comparison with the previous experimental results not only in the field of qualitative analysis, but also in the field of quantitative analysis. The calibrating process illustrates that the selected microscopic parameters in DEM are suitable to effectively and accurately simulate dynamic fracture process in PMMA brittle solids subjected to dynamic loads. The typical dynamic fracture behaviors of solids under dynamic loading are then reproduced by DEM. Compared with the previous experimental and numerical results, the present numerical results are in good agreement with the existing ones not only in the field of qualitative analysis, but also in the field of quantitative analysis. Furthermore, effects of dynamic loading magnitude, offset distance of the initial crack and initial crack length on dynamic fracture behaviors are numerically discussed.

Photodissociation of CINO at 236 nm

  • Kim Hong Lae;Mo Yuxiang;Matsumi Yutaka;Kawasaki Masahiro
    • Bulletin of the Korean Chemical Society
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    • v.13 no.2
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    • pp.162-165
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    • 1992
  • The fine structure branching ratio and Doppler profiles of photofragment Cl ($^{2}P_{j}$) atoms from photodissociation of CINO around 236 nm in the A band have been measured by the two photon resonance enhanced multiphoton ionization technique. The measured branching ratio, $Cl^{\ast} (^{2}P_{1/2})/Cl (^{2}P_{3/2})$ is $0.18{\pm}0.02$. The Doppler profile of Cl is well reproduced assuming that one of the two components in the photofragment translational spectra reported by Haas, Felder, and Huber [Chem. Phys. Lett., 180, 293 (1990)] should correspond to Cl and that an anisotropy parameter $\beta$ for the angular distribution is 0.45. The results suggest that CINO dissociation in the A band should consist of at least two non-crossing electronic states which correlate to the formation of $Cl^* and Cl, respectively.