• Proceedings of the Korean Society of Tribologists and Lubrication Engineers Conference
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• 2002.10b
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• pp.59-60
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• 2002

In this digest, we briefly review our current molecular dynamics (MD) simulations that utilize both the reactive empirical bond order potential (REBO) and the adaptive intermolecular REBO (AIREBO) potential energy functions. The AIREBO potential includes intermolecular interactions, so that self·assembled monolayers, and liquids, can be modeled. We have examined the mechanical and tribological properties of model self assembled monolayers and amorphous carbon films. Self-assembled monolayers are modeled by covalently bonding hydrocarbon chains to diamond substrates. Because the REBO potentials can model chemical reactions, specific compression and sliding induced chemical reactions were identified.

• Journal of the Korean Chemical Society
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• v.23 no.2
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• pp.75-79
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• 1979

The frontier orbital energy, superdelocalizability and charge density of a series of benzologous pyridine ligands have been calculated by using HMO. According to ${\Delta}E_{\pi}$ of ligands on the basis of the above results, it is concluded that the stabilities are in the order of 1,10-Phen > 4,5-Phen > 1,5-Phen > 8-Hox > Hox-azoquinolinato. And also, the reactivities of electrophilic, nucleophilic and radical reaction, and bond strength have been respectively studied by superdelocalizabilities and charge densities.

• Bulletin of the Korean Chemical Society
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• v.33 no.5
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• pp.1561-1565
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• 2012

The structures of the four lowest alanine conformers, along with their radical cations and the effect of ionization on the intramolecular proton transfer process, are studied using the density functional theory and MP2 method. The energy order of the radical cations of alanine differs from that of the corresponding neutral conformers due to changes in the basicity of the $NH_2$ group upon ionization. Ionization favors the intramolecular proton transfer process, leading to a proton-transferred radical-cation structure, [$NH_3{^+}-CHCH_3-COO{\bullet}$], which contrasts with the fact that a proton-transferred zwitterionic conformer is not stable for a neutral alanine in the gas phase. The energy barrier during the proton transfer process is calculated to be about 6 kcal/mol.

• Bulletin of the Korean Chemical Society
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• v.33 no.9
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• pp.2930-2936
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• 2012

A three-dimensional pharmacophore hypothesis was developed for atypical antipsychotics in order to map common structural features of highly active compounds by using HipHop in CATALYST program. The pharmacophore hypotheses were generated using 12 compounds as training set and validated using 11 compounds as test set. The most predictive hypothesis (Hypo1) comprises five features viz. two hydrophobic regions, two hydrogen bond acceptor lipid and one aromatic ring. In the absence of information like crystallized structure of 5-$HT_{2A}$ receptor and binding mode of antipsychotics with 5-$HT_{2A}$ receptor, this hypothesis will serve as a potentially valuable tool in the design of novel atypical antipsychotics acting primarily at 5-$HT_{2A}$ and $D_2$ receptors.

• Steel and Composite Structures
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• v.4 no.5
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• pp.333-353
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• 2004

Strength of reinforced concrete beams can easily be increased by the use of externally bonded CFRP composites. However, the mode of failure of CFRP strengthened beam is usually brittle due to tension-shear failure in the concrete substrate or bond failure near the CFRP-Concrete interface. In order to improve the ductility of CFRP strengthened concrete beams, critical variables need to be investigated. This experimental and analytical research focused on a series of reinforced concrete beams strengthened with CFRP composites to enhance the flexural capacity and ductility. The main variables were the amount of CFRP composites, the amount of longitudinal and shear reinforcement, and the effect of CFRP end diagonal anchorage system. Sixteen full-scale beams were investigated. A new design guideline was proposed according to the effects of the above-mentioned variables. The experimental and analytical results were found to be in good agreement.

• Proceedings of the Korea Concrete Institute Conference
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• 2001.05a
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• pp.63-68
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• 2001

It is now common practice to strengthen reinforced concrete beams by steel plates to their tention surfaces. Such plated beams are designed for flexure using conventional prediction equation and assumption that full bond will be developed between the concrete and the plates. Very advanced design rules have already been developed at the University of Adelaide for adhesive bonding steel plates to reinforced concrete beams in order to prevent premature debonding. This work on plated continuous reinforced concrete beams is to determine experimentally whether these design rules, that were developed for steel plated simply supported beams, could be applied to steel and FRP plated continuous beams. This paper also suggests how to increase the ductility of plated beams.

• Proceedings of the Korea Electromagnetic Engineering Society Conference
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• 2005.11a
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• pp.111-114
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• 2005

The isolation performance of the S-band single-pole single-throw (SPST) monolithic microwave integrated circuit (MMIC) switch with two different RF-interconnection approaches, microstrip and grounded coplanar waveguide (GCPW) lines, are investigated. On-to-off isolation is improved by 5.8 dB with the GCPW design compared with the microstrip design and additional improvement of 6.9dB is obtained with the coplanar wire-bond interconnection (CWBI) at 3.4 GHz. The measured insertion loss and third-order inter-modulation distortion (IMD3) are less than 2.43 dB over 2.5 CHz $\sim$ 4 GHz and greater than 64 dBc.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.14 no.5
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• pp.220-225
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• 2004

Four different Fluorine-based gases ($SF_6/,NF_3, PF_5,\; and \; BF_3$) were examined for high rate Inductively Coupled Plasma etching of Si. Etch rates up to ~8$\mu\textrm{m}$/min were achieved with pure $SF_6$ discharges at high source power (1500 W) and pressure (35 mTorr). A direct comparison of the four feedstock gases under the same plasma conditions showed the Si etch rate to increase in the order $BF_3$ < $NF_3$< $PF_5$ < $SF_6$. This is in good correlation with the average bond energies of the gases, except for $NF_3$, which is the least strongly bound. Optical emission spectroscopy showed that the ICP source efficiently dissociated $NF_3$, but the etched Si surface morphologies were significantly worse with this gas than with the other 3 gases.

• Proceedings of the KSME Conference
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• 2001.06c
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• pp.71-76
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• 2001

In general, it is known that the wear rate of the abrasive and the removal rate of the metal bond of the grinding wheel should be balanced to maintain the depth of the insulating surface layer to an appropriate level. In order to accomplish, the high quality ELID grinding, therefore, it is necessary to measure the depth of the insulating layer in real-time and then to control the electrolytic conditions to keep the depth to a certain level. In this study, an in-process measurement system of the insulated layer using two gap sensors - a capacitor type and an eddy current type - developed and the change of the status of the insulated layer during ELID grinding is detected. And from the experimental data, we have chosen the best mathematical model to predict the depth of the insulating layer.

• Journal of Microbiology and Biotechnology
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• v.10 no.6
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• pp.753-758
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• 2000

Human leptin is identified as a 16kDa (146 amino acids) protein secreted from adipocytes which influences body weight homeostasis. In order to produce active leptin, the human obese gene coding for leptin was expressed in Bacillus subtilis WB600 strain which is deficient in six extracellular proteases. The recombinant leptin was produced in a culture supernatant, and in a culture supernatant, it was contained as high as 48% for total proteins. After simple purification steps, which consisted of ammonium sulfate precipitation and anion-exchange column chromatography, 2.3 mg of leptin with a purity greater than 95% was obtained from the 0.51 culture with the recovery yield of 38.3%. The purified leptin showed the correct folding structure with one disulfied bond.