• Title/Summary/Keyword: Relative stability

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Molecular Orbital Calculation for Polymeric Beryllium Hydride, Polyeithylene and Polymeric Boron Hydride According to the Pseudo-Lattice Method

  • Oh, Seok-Heon;Jhang, Man-Chai;Jhon, Mu-Shik
    • Bulletin of the Korean Chemical Society
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    • v.5 no.1
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    • pp.37-41
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    • 1984
  • The pseudolattice calculations in the CNDO/2 level of approximation are carried out for polymeric beryllium hydride, polyethylene and polymeric boron hydride. Since there is no evidence on the geometry for polymeric boron hydride, the two possible geometries are assumed. One is a polyethylene-type geometry and the other is a polymeric beryllium hydride-type geometry. In order to compare their relative stability, we calculate polyethylene and polymeric beryllium hydride and then compare with polymeric boron hydride having the assumed structures. The total energy calculation indicates that a polymeric beryllium bydride-type geometry is more stable than a polyethylene-type geometry. Our results obtained for polyethylene are in good agreement with those given by CNDO/2 crystal orbital. From the convergence problem with respect to the number of unit cells (M), the calculation with value of 4 for M can be considered to give the convergence limit results.

Ab initio Calculations of Protonated Ethylenediamine-(water)3 Complex: Roles of Intramolecular Hydrogen Bonding and Hydrogen Bond Cooperativity

  • Bu, Du Wan
    • Bulletin of the Korean Chemical Society
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    • v.22 no.7
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    • pp.693-698
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    • 2001
  • Ab initio density functional calculations on the structural isomers, the hydration energies, and the hydrogen bond many-body interactions for gauche-, trans-protonated ethylenediamine-(water)3 complexes (g-enH+(H2O)3, t-enH+(H2O)3) have been performed. The structures and relative stabilities of three representative isomers (cyclic, tripod, open) between g-enH+(H2O)3 and t-enH+(H2O)3 are predicted to be quite different due to the strong interference between intramolecular hydrogen bonding and water hydrogen bond networks in g-enH+(H2O)3. Many-body analyses revealed that the combined repulsive relaxation energy and repulsive nonadditive interactions for the mono-cyclic tripod isomer, not the hydrogen bond cooperativity, are mainly responsible for the greater stability of the bi-cyclic isomer.

Modulation of Cytochrome c-Membrane Interaction by the Physical State of the Membrane and the Redox State of Cytochrome c

  • Kim, Uk Cheon;Kim, Yu Sin;Han, Sang Hwa
    • Bulletin of the Korean Chemical Society
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    • v.21 no.4
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    • pp.412-418
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    • 2000
  • Association of cytochrome c with anionic membranes involved both electrostatic and hydrophobic interactions and their relative contributions depended on the physical state of the membrane and the redox state of cyto-chromec.Hydrophobic interaction was favored by the membranes in gel phase, by the membranes with a large curvature, and by the membranes with a high surface charge density. Ferrocytochrome c was less dissociable by NaCl than ferricytochrome c suggesting that a lower protein stability is beneficial for hydrophobic interac-tion.Hydrophobic interaction induced larger structural perturbations on cytochrome c as monitored by the loss of the Fe-Met bond and by the increase in the distance between heme and Trp-59. When bound to anionic mem-branes,spin-labeled cytochrome c showed an electron paramagnetic resonance spectrum with two or more components, providing a direct evidence for multiple conformations of bound cytochrome c.

Optical Coherence Tomography Based on a Continuous-wave Supercontinuum Seeded by Erbium-doped Fiber's Amplified Spontaneous Emission

  • Lee, Ju-Han;Jung, Eun-Joo;Kim, Chang-Seok
    • Journal of the Optical Society of Korea
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    • v.14 no.1
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    • pp.49-54
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    • 2010
  • In this study, the use of a continuous-wave (CW) supercontinuum (SC) seeded by an erbium-doped fiber's amplified spontaneous emission (ASE) for optical-coherence tomography imaging is experimentally demonstrated. It was shown, by taking an in-depth image of a human tooth sample, that due to the smooth, flat spectrum and long-term stability of the proposed CW SC, it can be readily applied to the spectral-domain optical-coherence tomography system. The relative-intensity noise level and spectral bandwidth of the CW SC are also experimentally analyzed as a function of the ASE beam power.

Human-machine system optimization in nuclear facility systems

  • Corrado, Jonathan K.
    • Nuclear Engineering and Technology
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    • v.53 no.10
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    • pp.3460-3463
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    • 2021
  • Present computing power and enhanced technology is progressing at a dramatic rate. These systems can unravel complex issues, assess and control processes, learn, and-in many cases-fully automate production. There is no doubt that technological advancement is improving many aspects of life, changing the landscape of virtually all industries and enhancing production beyond what was thought possible. However, the human is still a part of these systems. Consequently, as the advancement of systems transpires, the role of humans within those systems will unavoidably continue to adapt as well. Due to the human tendency for error, this technological advancement should compel a persistent emphasis on human error reduction as part of maximizing system efficiency and safety-especially in the context of the nuclear industry. Within this context, as new systems are designed and the role of the human is transformed, human error should be targeted for a significant decrease relative to predecessor systems and an equivalent increase in system stability and safety. This article contends that optimizing the roles of humans and machines in the design and implementation of new types of automation in nuclear facility systems should involve human error reduction without ignoring the essential importance of human interaction within those systems.

Bond-slip effect in steel-concrete composite flexural members: Part 2 - Improvement of shear stud spacing in SCP

  • Lee, WonHo;Kwak, Hyo-Gyoung;Kim, Joung Rae
    • Steel and Composite Structures
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    • v.32 no.4
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    • pp.549-557
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    • 2019
  • The use of shear studs usually placed in the form of mechanical shear connectors makes it possible to adopt composite steel-concrete structures in various structures, and steel-concrete plate composite (SCP) is being seriously considered for the installation of storage tanks exposed to harsh environments. However, manufacturing of SCP must be based on the application of existing design guidelines which require very close arrangement of shear studs. This means that the direct application of current design guidelines usually produces very conservative results and close arrangement of shear studs precludes pouring concrete within exterior steel faceplates. In this light, an improved guideline to determine the stud spacing should be introduced, and this paper proposes an improved ratio of the stud spacing to the thickness of steel plate on the basis of numerous parametric studies to evaluate the relative influence of the stud spacing on the stability of the SCP.

An Analysis of the Dynamic Characteristics of a Spool Type Pressure Control Valve (스풀형 압력제어밸브의 동특성 해석)

  • Moon, Kang Hyun;Huh, Jun Young
    • Journal of Drive and Control
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    • v.15 no.4
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    • pp.61-66
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    • 2018
  • Almost every hydraulic system is equipped with a pressure relief valve, to maintain working pressure of the system at a pre-determined level. Thus, dynamic characteristics of such a relief valve, in conjunction with other hydraulic components, are important in designing the hydraulic control system. The single stage pressure relief valve is dynamically undesirable, due to relatively low viscous damping, that causes high frequency oscillations. This problem is overcome by introducing orifices in the inner pilot line, and drain line. In this study, for the single stage spool type pressure relief valve, the system equations were derived through an adequate linearisation and several simplifications were made, to use the transfer function formulation technique. All coefficients were evaluated and used, to make some results by using Matlab software. Results of analysis are compared with experimental results. In this study, parameters affecting stability of valve design are determined and suggested relative to the design.

PMO Theory of Orbital Interactions (Part 7). $\sigma-\pi$ Interactions

  • Kong, Byung-Hoo;Lee, Byung-Choon;Lee, Ik-Choon;Yang, Ki-Yull
    • Bulletin of the Korean Chemical Society
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    • v.6 no.5
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    • pp.277-279
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    • 1985
  • Orbital interactions of the types, ${\sigma}-{\pi},\;{\sigma}^*-{\pi},\;{\sigma}-{\pi}^*\;and\;{\sigma}^*-{\pi}^*$ are investigated for the rotamers of ${\alpha}$-X-acetones (X = F and Cl) using STO-3G method of calculation. It was found that the interactions are possible only in gauche forms, and the ${\sigma}^*-{\pi}^*$ interactions are in general greater than the $\sigma-\pi$ interactions due to the greater overlap, in spite of the greater energy gap involved; the greater ${\sigma}^*-{\pi}^*$ interaction causes greater lowering of ${\pi}^*$ level relative to the lowering of ${\sigma}$ in the ${\sigma}-{\pi}$ interaction so that both ${\sigma}-{\pi}^*$ and $n-{\pi}^*$ interactions are enhanced in the gauche forms. The extra stability of the gauche form and the red shift in the $n-{\pi}^*$ transition are thus found to be natural corollaries of the greater ${\sigma}^*-{\pi}^*$ interaction in the gauche forms.

Spectrophotometric Determination of Copper After Selective Extraction with $\alpha$-(2-Benzimidazolyl)-$\alpha ^{\prime}, \alpha ^{\prime} ^{\prime}$-(N-5-nitro-2-pyridyl hydrazone)-toluene in the Presence of Brij 58

  • 박찬일;김현수;차기원
    • Bulletin of the Korean Chemical Society
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    • v.20 no.3
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    • pp.352-354
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    • 1999
  • The spectrophotometric determination of Cu(Ⅱ) with α-(2-benzimidazolyl)-α',α"-(N-5-nitro-2-pyridylhydrazone)-toluene has been investigated. The optimum conditions of pH, stability, concentration of ligand and surfactant were evaluated. This method is a simple and sensitive method for determination of Cu(Ⅱ) and offers a selective separation of Cu(Ⅱ) from sample solution containin- I ppm below amount of Ni(Ⅱ), Co(Ⅱ), Zn(Ⅱ) and Sn(Ⅱ). Copper was determined by measuring the absorbance of Cu(Ⅱ)-BINPHT complex extracted with benzene in Brij 58 surfactant at 410 nm. Beer's law is obeyed over the concentration range 0∼2.5 μgmL-1 and the detection limit (S/N=2) is 0.06 μgmL-1. The relative standard deviation at the 0.3 μgmL-1 is 2.4% (N=7). The method was applied for the determination of Cu(Ⅱ) in various milks.

Photon Energy Dependence of the Sensitivity of LiF TLDs Loaded with Thin Material (얇은 박막을 얹은 TLD 반응감도의 광자 에너지에 대한 의존성)

  • Min Byongim J;Kim Sookil;Loh John J.K;Cho Young Kap
    • Radiation Oncology Journal
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    • v.17 no.3
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    • pp.256-260
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    • 1999
  • Purpose : An investigation has been carried out on the factors which affect the response reading of thermoluminescent dosimeters (TLD-100) loaded with thin material in high energy Photon. The aim of the study was to assess the energy response of TLD-100 to the therapeutic ranges of photon beam. Materials and Methods : In this technique, TLD-100 (abbreviated as TLD) chips and three different thin material (Tin, Gold, and Tissue equivalent plastic plate) which mounted on the TLD chip were used in the clinical photon beam. The thickness of each metal plates was 0.1 mm and TE plastic plate was 1 mm thick. These compared with the photon energy dependence of the sensitivities of TLD (normal chip), TLD loaded with Tin or Gold plate, for the photon energy range 6 MV to 15 MV, which was of interest in radiotherapy. Results : The enhancement of surface dose in the TLD with metal plate was clearly detected. The TLD chips with a Gold plate was found to larger response by a factor of 1.83 in 10 MV photon beam with respect to normal chip. The sensitivity of TLD loaded with Tin was less than that for normal TLD and TLD loaded with Gold. The relative sensitivity of TLD loaded with metal has little energy dependence. Conclusion : The good stability and linearity with respect to monitor units of TLD loaded with metal were demonstrated by relative measurements in high energy Photon ($6\~15$ MV) beams. The TLD laminated with metals embedded system in solid water phantom is a suitable detector for relative dose measurements in a small beam size and surface dose.

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