• Proceedings of the KSME Conference
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• 2003.11a
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• pp.121-126
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• 2003

A study of argon droplet vaporization is conducted using molecular dynamics, instead of using traditional methods such as the Navier-Stokes equation. Molecular dynamics uses Lagrangian frame to describe molecular behavior in a system and uses only momentum and position data of all molecules in the system. So every property is not a hypothetical input but a statistical result calculated from the momentum and position data. This work performed a simulation of the complete vaporization of a three dimensional submicron argon droplet within quiescent environment. Lennard-Jones 12-6 potential function is used as a intermolecular potential function. The molecular configuration is examined while an initially non-spherical droplet is changed into the spherical shape and droplet evaporates. And the droplet radius versus time is calculated with temperature and pressure profile.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.164.1-164.1
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• 2014

플러렌은 구조적인 특성때문에 흡착된 표면의 재료적 성질과 구조 그리고 흡착 배향에 따라 전자구조가 민감하게 변한다. 그래핀 위의 플러렌은 약한 van der Waals interaction으로 인해 매우 균일한 패턴으로 자가조립하여 decoupling 되는 것으로 알려져 있지만 [1,2] 그래핀을 지지하는 substrate의 종류에 따라 플러렌의 전자 구조에 영향을 미치는 것으로 보인다 [3]. 우리는 substrate에 의한 효과를 관찰하기 위헤 Cu(111)위에 그래핀과 플러렌을 순차적으로 성장시켜 STM을 이용하여 플러렌의 흡착구조 및 전자 구조를 연구하였다. 플러렌과 그래핀 사이의 van der Waals interaction과 이웃한 플러렌 분자들 사이의 intermolecular interaction 세기에 따라 흡착 구조가 크게 영향을 받음을 알 수 있었다.

• Polymer(Korea)
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• v.24 no.6
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• pp.854-859
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• 2000

The synthesis of poly(N,N-dimethylamino ethyl methacrylate (DMAEMA)-block-poly(ethylene glycol) (PEG)) copolymer has been carried out and the block copolymer was characterized by FT-IR, DSC, and $^1$H-NMR. The formation of polymeric nanoaggregation was observed in the solution mixture of poly(DMAEMA) -block-PEG copolymer and poly (ethyl acrylamide) (EAAm) due to the intermolecular interaction via hydrogen bond between DMAEMA and poly(EAAm). The formation of polymeric nanoaggregation was observed above critical micelle concentration (CMC).

• Proceedings of the Microbiological Society of Korea Conference
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• 2002.10a
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• pp.159-161
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• 2002

Bacteriophage lambda integrase carries out the site-specific recombination of lambda. Integrase contains two DNA binding domains with distinct sequence specificity, namely arm-type binding and core-type binding domains. The amino-terminal arm-binding domain is structurally related to the three-stranded $\beta-sheet$ family of DNA-binding domains. Integrase binding to the high affinity arm-type site by the amino-terminal domain facilitates Int binding to the low affinity core-type site, where the cleavage and strand exchange occurs. The amino-terminal domain of Int also modulates the core-binding and catalysis through intramolecular domain-domain interaction and/or intermolecular interactions between Int monomers. In addition, the amino-terminal domain interacts cooperatively with excisionase during excision. This indicates that amino-terminal domain of Int plays an important role in formation of proper higher-order nucleoprotein structure required for lambda site-specific recombination.

• Bulletin of the Korean Chemical Society
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• v.23 no.3
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• pp.441-446
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• 2002

We have presented the results of thermodynamic, structural and dynamic properties of liquid benzene, toluene, and p-xylene in canonical (NVT) ensemble at 293.15 K by molecular dynamics (MD) simulations. The molecular model adopted for these molecules is a combination of the rigid body treatment for the benzene ring and an atomistically detailed model for the methyl hydrogen atoms. The calculated pressures are too low in the NVT ensemble MD simulations. The various thermodynamic properties reflect that the intermolecular interactions become stronger as the number of methyl group attached into the benzene ring increases. The pronounced nearest neighbor peak in the center of mass g(r) of liquid benzene at 293.15 K, provides the interpretation that nearest neighbors tend to be perpendicular. Two self-diffusion coefficients of liquid benzene at 293.15 K calculated from MSD and VAC function are in excellent agreement with the experimental measures. The self-diffusion coefficients of liquid toluene also agree well with the experimental ones for toluene in benzene and for toluene in cyclohexane.

• Proceedings of the Korean Society for Applied Microbiology Conference
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• 2001.06a
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• pp.146-148
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• 2001

The objective of this study was to investigate the behavior of ribonuclease A (RNase) at the water/methylene chloride interface. It was aimed at better understanding the denaturation of proteins upon emulsification. RNase was vulnerable to the interface-induced aggregation reactions that led to formation of water-insoluble aggregates upon emulsification. Biochemical analyses demonstrated that intermolecular covalent linkages might have been involved in the aggregation reactions. The protein instability observed with emulsification was traced to consequences of protein adsorption and conformational rearrangements at the interface. These results indicated that emulsifying aqueous protein solutions in organic solvents should be handled with care, since emulsification could bring denaturation and aggregation to proteins.

• Proceedings of the Korean Society of Precision Engineering Conference
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• 2006.05a
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• pp.543-544
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• 2006

3-methyl-2-cyclopentenone is a valuable reaction intermediate for various high value added products. 3-methyl-2-cyclopentenone is not only expensive but also difficult to produce. 3-methyl-2-cyclopentenone can be synthesized by base catalyzed intermolecular aldol condensation. In this work, we studied a simple and practical method for synthesizing 3-methyl-2-cyclopentenone. Experimental results showed the advantages of the continuous flow process using a microreactor with kenic mixers for the synthesis of 3-methyl-2-cyclopentenone.

• Rapid Communication in Photoscience
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• v.4 no.1
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• pp.12-15
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• 2015

Intramolecular photocycloaddition of ferulic acid derivatives proceeded in high yields to give head-to-head intramolecular photodimers as three atropisomers. The photocycloaddition was sensitized by triplet sensitizers such as benzophenone, whereas photocycloreversion was promoted by 9,10-dicyanoanthracene (DCA) as an electron-transfer photocatalyst. On the other hand, intermolecular photocycloaddition afforded a head-to-tail photodimer.

• Journal of Photoscience
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• v.1 no.2
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• pp.89-94
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• 1994

The reaction of decaborane with trimethylsilyldiazomethane gives 1, 2-bis (trimethylsilyl)-1, 2-carba-closo-dodecaborane(12). This compound is similar to the icosahedral cage structure of o-carborane. This formation of the first adduct proceeds through deprotonation of the acidic center of B(9) and B(6) by intermolecular attack by the lone electron pair of the carbene, : CHSiMe$_3$. The yield of product is influenced by irradiation and thermal conditions.

• Proceedings of the KAIS Fall Conference
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• 2011.05a
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• pp.485-488
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• 2011

Intramolecular association is an important contribution to the overall hydrogen bonding in supercritical fluid systems, especially in systems of colloidal and biological interest. Amphiphile systems, especially micelle and microemulsion systems, showed highly non-ideal behavior due to the intermolecular association and intramolecular association. The objective of this research is to present a lattice fluid equation of state that combines the quasi-chemical nonrandom lattice fluid model with modified Veytsman statistics for intra + inter molecular association to calculate phase behavior for mixture containing surfactant systems. The present EOS could correlate the literature data well for mixtures containing nonionic surfactant systems.