• Title/Summary/Keyword: Bond order

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In-silico and In-vitro based studies of Streptomyces peucetius CYP107N3 for oleic acid epoxidation

  • Bhattarai, Saurabh;Niraula, Narayan Prasad;Sohng, Jae Kyung;Oh, Tae-Jin
    • BMB Reports
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    • v.45 no.12
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    • pp.736-741
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    • 2012
  • Certain members of the cytochromes P450 superfamily metabolize polyunsaturated long-chain fatty acids to several classes of oxygenated metabolites. An approach based on in silico analysis predicted that Streptomyces peucetius CYP107N3 might be a fatty acid-metabolizing enzyme, showing high homology with epoxidase enzymes. Homology modeling and docking studies of CYP107N3 showed that oleic acid can fit directly into the active site pocket of the double bond of oleic acid within optimum distance of $4.6{\AA}$ from the Fe. In order to confirm the epoxidation activity proposed by in silico analysis, a gene coding CYP107N3 was expressed in Escherichia coli. The purified CYP107N3 was shown to catalyze $C_9-C_{10}$ epoxidation of oleic acid in vitro to 9,10-epoxy stearic acid confirmed by ESI-MS, HPLC-MS and GC-MS spectral analysis.

Design of The Micro Fluidic Heat Flux Sensor (유동형 미세 열유속 센서의 설계)

  • Kim, Jung-Kyun;Cho, Sung-Cheon;Lee, Sun-Kyu
    • Journal of the Korean Society for Precision Engineering
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    • v.26 no.11
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    • pp.138-145
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    • 2009
  • A suspended membrane micro fluidic heat flux sensor that is able to measure the heat flow rate was designed and fabricated by a complementary-metal-oxide-semiconductor-compatible process. The combination of a thirty-junction gold and nickel thermoelectric sensor with an ultralow noise preamplifier, low pass filter, and lock-in amp has enabled the resolution of 50 nW power and provides the sensitivity of $11.4\;mV/{\mu}W$. The heater modulation method was used to eliminate low frequency noises from sensor output. It is measured with various heat flux fluid of DI-water to test as micro fluidic application. In order to estimate the heat generation of samples from the output measurement of a micro fluidic heat-flux sensor, a methodology for modeling and simulating electro-thermal behavior in the micro fluidic heat-flux sensor with integrated electronic circuit is presented and validated. The electro-thermal model was constructed by using system dynamics, particularly the bond graph. The electro-thermal system model in which the thermal and the electrical domain are coupled expresses the heat generation of samples converts thermal input to electrical output. The proposed electro-thermal system model shows good agreement with measured output voltage response in transient state and steady-state.

Modification of Oxidation Wool Treated with Protease(Part I)-Changes of chemical properties (산화양모의 효소처리에 의한 양모섬유의 개질(제1보)-화학적 성질의 변화-)

  • 김영리;유효선
    • Journal of the Korean Society of Clothing and Textiles
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    • v.22 no.7
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    • pp.843-850
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    • 1998
  • The purpose of this study is the investigation of chemical properties of wool treated with oxidants and protease at low temperature. The chemical degradation of the fibers were investigated by measuring $\alpha$-amimo acid contents and FT-IR analysis. In addition, urea-hydrogensulfite solubility was measured to compare to the oxidation and protease treated wool. The results were as follows. 1) By the oxidation of wool, cystine is oxidised to cysteic acid by way of the intermediate oxides, cystine-S-monooxide and cystine-S-dioxide, in the case hydrolysis catalysed by the protease catalyse. Also, $\alpha$-amimo acid contents is increased, and urea-hydrogensulfite solubility was lower than that of untreated wool. This chemical degradation of wool was occurred due to oxidate hydrolysis in the order of permonosulfate>dichloroisocyanuric acid$\geq$chlorine. 2) The chemical degradation of wool was accelerated by the protease treatment of oxidized wool. Oxidation of wool is considered to make the fiber more susceptibled to enzymatic attact by opening disulphide bond within wool. Enzymatic attact was effectively directed to the wool oxidised by permonosulfate.

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Application of meta-model based parameter identification of a seismically retrofitted reinforced concrete building

  • Yu, Eunjong
    • Computers and Concrete
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    • v.21 no.4
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    • pp.441-449
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    • 2018
  • FE models for complex or large-scaled structures that need detailed modeling of structural components are usually constructed using commercial analysis softwares. Updating of such FE model by conventional sensitivity-based methods is difficult since repeated computation for perturbed parameters and manual calculations are needed to obtain sensitivity matrix in each iteration. In this study, an FE model updating procedure avoiding such difficulties by using response surface (RS) method and a Pareto-based multiobjective optimization (MOO) was formulated and applied to FE models constructed with a commercial analysis package. The test building is a low-rise reinforced concrete building that has been seismically retrofitted. Dynamic properties of the building were extracted from vibration tests performed before and after the seismic retrofits, respectively. The elastic modulus of concrete and masonry, and spring constants for the expansion joint were updated. Two RS functions representing the errors in the natural frequencies and mode shape, respectively, were obtained and used as the objective functions for MOO. Among the Pareto solutions, the best compromise solution was determined using the TOPSIS (Technique for Order of Preference by Similarity to Ideal Solution) procedure. A similar task was performed for retrofitted building by taking the updating parameters as the stiffness of modified or added members. Obtained parameters of the existing building were reasonably comparable with the current code provisions. However, the stiffness of added concrete shear walls and steel section jacketed members were considerably lower than expectation. Such low values are seemingly because the bond between new and existing concrete was not as good as the monolithically casted members, even though they were connected by the anchoring bars.

A Study on the Structural Design of Effective Composite Joint and Light Weight in Body Floor (Body Floor의 복합재 접합방식 및 경량화 설계에 관한 연구)

  • Kim, Hong Gun;Oh, Sang Yeob;Kim, Kwang Choul;Kim, Hyun Woo;Kwac, Lee Ku
    • Journal of the Korean Society of Manufacturing Technology Engineers
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    • v.21 no.6
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    • pp.920-925
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    • 2012
  • A study of vehicle weight lightening has been progressed to reduce the fuel consumption. In this paper, the body floor in an EV (Electric Vehicle) bus has been applied by composites as CFRP and GFRP. In order to analyse a various reliability and safety, an experiment and FEM analysis was carried out to obtain weight lightening. Especially, the joint. An effective design is obtained through an experiment as well as FEM analysis. Results of stress analysis of GFRP material showed twice as much displacement than those of CFRP material. Among three kinds of joint methods, the bond joint method is occurred to a substantial shape change in the body and floor. It is found that the rivet joints are fairly suitable for stress sustaining capability.

Molecular Dynamic Simulation for Penetration of Carbon Nanotubes into an Array of Carbon Nnantotubes

  • Jang, Ilkwang;Jang, Yong Hoon
    • Tribology and Lubricants
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    • v.36 no.5
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    • pp.290-296
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    • 2020
  • When two layers of carbon nanotube (CNT) arrays are loaded to mate, the free ends of individual CNTs come into contact at the interface of the two layers. This leads to a higher contact resistance due to a smaller contact region. However, when the free CNT ends of one array penetrate into the mating array, the contact region increases, effectively lowering the contact resistance. To explore the penetration of mating CNTs, we perform molecular dynamic simulations of a simple unit cell model, incorporating four CNTs in the lower array layer coupled with a single moving CNT on the upper layer. The interaction with neighboring CNTs is modelled by long-range carbon bond order potential (LCBOP I). The model structure is optimized by energy minimization through the conjugate gradient method. A NVT ensemble is used for maintain a room temperature during simulation. The time integration is performed through the velocity-Verlet algorithm. A significant vibrational motion of CNTs is captured when penetration is not available, resulting in a specific vibration mode with a high frequency. Due to this vibrational behavior, the random behaviors of CNT motion for predicting the penetration are confirmed under the specific gap distances between CNTs. Thus, the probability of penetration is examined according to the gap distance between CNTs in the lower array and the aspect ratio of CNTs. The penetration is significantly affected by the vibration mode due to the van der Waals forces between CNTs.

Adversities Experienced by Grandchildren in Korean Grandparent-Grandchildren Families and their Family Resilience

  • Jung, Min-ja
    • International Journal of Human Ecology
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    • v.17 no.2
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    • pp.17-30
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    • 2016
  • This study was conducted to make a policy proposal for Korean grandparent-grandchildren families, analyzing what adversities adolescent grandchildren suffer when living in a grandparent-grandchild family, the types of Korean families and how family resilience appears as family power. In order to conduct this study, 20 consenting adolescents were selected for an interview from grandparent-grandchildren families recommended by the U City Healthy Family Support Center. This study suggests the following conclusions. First, we discussed divorce, death, financial bankruptcy related stress, economic difficulties in the present family, accidents involving family members of a grandparent-grandchild family, grandparents' serious disease, death, family conflicts and family comparisons with friends. Second, in the domain of family resilience, desire to maintain the family appeared as a Korean value. In addition, efforts to bond as an emotional family and grandchildren's attitudes of gratitude to grandparents are also expressed. However, family conversation appears weak due to the generation gap between adolescents and grandparents or complications from family stress. Third, the resilience in the family organization appeared weak since there are relatively insufficient socio-economic resources to support the family. This study makes several suggestions for family policies and shows the necessity to develop policies that reflect the needs of grandchildren and grandparents.

Studies on the Metal-Exchange Reaction of Tetrahedral Cu(II) Complex with Mercuric Ion and Mercury Metal (정사면체 구조를 갖는 Cu(II) 착물과 수은(II) 및 수은(0)과의 금속 교환반응 연구)

  • Young Tae Gong;Sung Nak Choi;Yoon-Bo Shim
    • Journal of the Korean Chemical Society
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    • v.36 no.2
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    • pp.223-229
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    • 1992
  • Mechanistic studies on the metal-exchange reactions of sparteine copper(II) dichloride [$SpCuCl_2$] with Hg(II) ion and Hg(0) metal have been carried out with the aid of Cyclic Voltammetry and UV-visible spectrophotometry. The metal exchange reaction of $SpCuCl_2$ with both Hg(II) ion and Hg(0) metal follows pseudo-first order kinetics. Rate constants and activation parameters of metal exchange reaction have been evaluated and reported. Experimental results indicate that the rate determining step for the exchange reaction is the cleavage of Cu(II)-N bond in the transient binuclear complex of Cu(II) and mercury(II) bound to sparteine ligand.

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Excited-state Intramolecular Proton Transfer of 1,5- and 1,8-Dihydroxyanthraquinones Chemically Adsorpted onto SiO2, SiO2-Al2O3, and Al2O3 Matrices

  • Cho, Dae-Won;Song, Ki-Dong;Park, Seong-Kyu;Jeon, Ki-Seok;Yoon, Min-Joong
    • Bulletin of the Korean Chemical Society
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    • v.28 no.4
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    • pp.647-651
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    • 2007
  • In order to investigate the excited-state intramolecular proton transfer (ESIPT) process of dihydroxyanthraquinones (DHAQ; 1,5-DHAQ and 1,8-DHAQ) in organic-inorganic hybrid matrices, transparent SiO2, SiO2- Al2O3, and Al2O3 matrices chemically bonded with DHAQ were prepared using a sol-gel technique. The absorption maxima of 1,5- and 1,8-DHAQ in SiO2 matrices are observed at around 420 nm, whereas those of DHAQ in both SiO2-Al2O3 and Al2O3 matrices are markedly shifted to longer wavelength compared with those in SiO2 matrix. This indicates that DAHQ forms a chemical bond with an Al atom of Al2O3. The DHAQ in SiO2 matrix shows a markedly Stokes-shifted emission which is originated from the ESIPT in DHAQ. Based on the emission lifetimes of DHAQ, the ESIPT of DHAQ was found to be strongly affected by the chemical interaction with Al atom in the Al2O3-related matrices.

Direct Tensile Behavior of Steel.Fiber Reinforced Concrete (강섬유콘크리트의 직접인장 거동 특성)

  • 이신호;고재군
    • Magazine of the Korean Society of Agricultural Engineers
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    • v.29 no.4
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    • pp.124-131
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    • 1987
  • The aims of this study was to determine the mechanical properties of steel-fiber reinforced concrete under direct tensile loading, and also to insestigate the mechanism fiber reinforcement in order to improve the possible applications of steel-fiber reinforced concrete. In this study the major variables of experimental investigation were fiber conntents, and the lengths and diameters of fibers. The major results obtained are summarized as follows : 1. The strength, elastic modulus and energy absorption capability of steel-fiber reinforced concrete under direct tensile loading were improved as increasing of fiber contents. 2. The direct tensile strength of steel-fiber reinforced concrete was not influenced by the lengths of fiber, but was decreased as increasing of fiber diameters. 3. The direct tensile strength of steel-fiber reinforced concrete was not influenced by the fiber aspect-ratio, but this was because the fiber contents were below the critical value of fiber content. 4. The correlation of direct tensile strength and combined parameter, Vf l/d, was not good. 5. Mutiple cracking and post-crack resistance were investigated at stress-strain curves in direct tensile test. 6. The effect of fiber reinforcement can be influenced by fiber orientation and the bond strength between fiber and matrix. 7. The improvement of mechanical properties of steel-fiber reinforced concrete under direct tensile loading can be theoretically explained by the concept of composite materials.

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