• 천문학회보
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• 제37권2호
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• pp.118.2-118.2
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• 2012

In particle-in-cell (PIC) simulation studies related to ion-ion two-stream instability, a reduced ion-to-electron mass ratio is often employed to save computation time. But it was not clearly verified how electrons dynamics are coupled with the slower evolution of ion-ion interactions under the external electric field. We have studied the ion beam driven instability using a 1D electrostatic PIC code by comparing different rescaling of parameter with real ion mass from the reference simulation with reduced ion mass. As the external electric field is stronger, the excited unstable mode range was more sensitively affected by the system size with the real mass ratio than the reduced ion mass. The results show that the reduced mass ratio should be used cautiously in PIC code as the electron dynamics can modify the ion instabilities. Additionally we found the formation of electron flat-top distribution in the final saturation stage. Simulation results show that in the early phase electrostatic solitary waves are quasi-periodically formed, but later they are fully dissipated resulting in heated, flat-top distributions. New electron beam components are occasionally formed. These are a consequence of the interaction with solitary wave structures. We parametrically investigate the development of electron phase space distributions for various drift speeds of ion beams and temperature ratios between ions and electrons

• Macromolecular Research
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• 제17권3호
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• pp.187-191
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• 2009

Platinum (Pt) nanoparticles were prepared by the liquid-phase reduction of tetraammineplatinum (II) chloride $([Pt(NH_3)_4]Cl_2)$ using Nafion as a stabilizer under various conditions of the Nation phase. This method is novel in its use of electrostatic interactions between the Pt complex ions and sulfonic groups in the hydrated Nation molecules. The synthesized Pt nanoparticles of the recast film system had a cubic shape. In the case of the Nation solution system, the Pt nanoparticles mainly had a spherical shape. The shapes and sizes of the Pt nanoparticles were strongly influenced by the Nation phase.

• Macromolecular Research
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• 제17권5호
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• pp.332-338
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• 2009

Rheological behavior of natural hydrogel produced from seeds of three Salvia spp. (S. miltiorrhiza (SM), S. sclarea (SS), S. viridis (SV)) was investigated by using a Rheometer equipped with a cone and plate geometry measuring system under never-dried condition. Different chemical contents of such hydrogels give significant effects on their rheological properties. Because of incomplete penetration of water inside the hydrogels after drying before-dried hydrogels were used for rheological analysis. To know molecular interactions which predominated in the gel formation, some constituents were externally added to the 1.0% (w/w) hydrogel. Addition of urea to disrupt hydrogen bonds reduced 3.4-67% viscosity of the untreated hydrogels and changed viscoelastic properties from gel to liquid-like behavior. Neutral salts added to the hydrogel solution at 0.1 M also lowered the viscosity in a manner related with increase in size of cations and temperature. Changing from gel state to liquid-like state was also easily confirmed by oscillation measurement (storage, G', and loss, G", modulii) typically observed in the cases of potassium sulfate and potassium thiocyanate. Influence of pH variation on the viscosity explained that weak alkaline condition (pH 8-9) creates a higher resistance to flow due to increasingly electrostatic repulsions between negative charges ($COO^-$) Importance of calcium bridges was also demonstrated by recovery of viscosity of the hydrogels by addition of calcium after acidification. The summarized results indicate that electrostatic repulsion is a major contributor for production of hydrogel structure.

• Bulletin of the Korean Chemical Society
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• 제28권7호
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• pp.1097-1103
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• 2007

We report a novel method to synthesize nanocomposites composed of titania nanoparticles and phosphotungstate ions with various composition ratios ranging from W/Ti = 12/10 to 12/500 by inducing the electrostatic interaction between the positively charged protonated titania sol-particles and the negatively charged phosphotungstate anions to flocculate and precipitate. The precipitates showed varied features depending on the composition. The precipitate from the tungsten-richest W/Ti = 12/10 reaction is amorphous in its powder X-ray diffraction (XRD), transmission electron microscopy (TEM), and Raman spectroscopy data. This material shows the Type II adsorption characteristics in its N2-adsorption isotherm, but with quite low surface area of 34 m2/g. To the contrary, the precipitates from the titanium-richer reactions (W/Ti = 12/50- 12/500) are composed of anatase nanoparticles of 2-6 nm by XRD, TEM and Raman and show the Type I adsorption characteristics. The surface area linearly increases with the titanium content from 131 m2/g for W/ Ti = 12/50 to 228 m2/g for 12/500. The precipitate from the reaction with the intermediate composition W/Ti = 12/20 is composed of anatase nanoparticles and does not have any pore accessible to N2. With the wide variety of the physical properties of the precipitates, the present method can be a novel, viable means to tailor synthesis of nanocomposite materials. A formation mechanism of the precipitates is based on the electrostatic interactions between the titania nanoparticles and phosphotungstate ions.

• 생체재료학회지
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• 제22권4호
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• pp.235-248
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• 2018

Background: Injectable hydrogels have been extensively researched for the use as scaffolds or as carriers of therapeutic agents such as drugs, cells, proteins, and bioactive molecules in the treatment of diseases and cancers and the repair and regeneration of tissues. It is because they have the injectability with minimal invasiveness and usability for irregularly shaped sites, in addition to typical advantages of conventional hydrogels such as biocompatibility, permeability to oxygen and nutrient, properties similar to the characteristics of the native extracellular matrix, and porous structure allowing therapeutic agents to be loaded. Main body: In this article, recent studies of injectable hydrogel systems applicable for therapeutic agent delivery, disease/cancer therapy, and tissue engineering have reviewed in terms of the various factors physically and chemically contributing to sol-gel transition via which gels have been formed. The various factors are as follows: several different non-covalent interactions resulting in physical crosslinking (the electrostatic interactions (e.g., the ionic and hydrogen bonds), hydrophobic interactions, ${\pi}$-interactions, and van der Waals forces), in-situ chemical reactions inducing chemical crosslinking (the Diels Alder click reactions, Michael reactions, Schiff base reactions, or enzyme-or photo-mediated reactions), and external stimuli (temperatures, pHs, lights, electric/magnetic fields, ultrasounds, or biomolecular species (e.g., enzyme)). Finally, their applications with accompanying therapeutic agents and notable properties used were reviewed as well. Conclusion: Injectable hydrogels, of which network morphology and properties could be tuned, have shown to control the load and release of therapeutic agents, consequently producing significant therapeutic efficacy. Accordingly, they are believed to be successful and promising biomaterials as scaffolds and carriers of therapeutic agents for disease and cancer therapy and tissue engineering.

• BMB Reports
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• 제31권4호
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• pp.307-327
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• 1998

Cytochrome c peroxidase (CcP) is a yeast mitochondrial enzyme which catalyzes the reduction of hydrogen peroxide to water using two equivalents of ferrocytochrome c. The CcP/cytochrome c system has many features which make it a very useful model for detailed investigation of heme protein structure/function relationships including activation of hydrogen peroxide, protein-protein interactions, and long-range electron transfer. Both CcP and cytochrome c are single heme, single subunit proteins of modest size. High-resolution crystallographic structures of both proteins, of one-to-one complexes of the two proteins, and a number of active-site mutants are available. Site-directed mutagenesis studies indicate that the distal histidine in CcP is primarily responsible for rapid utilization of hydrogen peroxide implying significantly different properties of the distal histidine in the peroxidases compared to the globins. CcP and cytochrome c bind to form a dynamic one-to-one complex. The binding is largely electrostatic in nature with a small, unfavorable enthalpy of binding and a large positive entropy change upon complex formation. The cytochrome c-binding site on CcP has been mapped in solution by measuring the binding affinities between cytochrome c and a number of CcP surface mutations. The binding site for cytochrome c in solution is consistent with the crystallographic structure of the one-to-one complex. Evidence for the involvement of a second, low-affinity cytochrome c-binding site on CcP in long-range electron transfer between the two proteins is reviewed.

• 한국염색가공학회지
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• 제30권2호
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• pp.63-69
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• 2018

In this study, we report on successful attempt towards the synthesis of sulfur self-doped $g-C_3N_4$ by directly heating thiourea in air. The synthesized materials were characterized using UV-vis spectral technique, FT-IR, XRD and TEM analysis. Further, the obtained material shows an excellent detection of carcinogenic TNP(Tri nitro phenol) in the presence of 10-fold excess of various other common interferences. The strong inner filter effect and molecular interactions(electrostatic, ${\pi}-{\pi}$, and hydrogen bonding interactions) between TNP and the $S-g-C_3N_4$ Nano sheets led to the fluorescence quenching of the $S-g-C_3N_4$ Nano sheets with an excellent selectivity and sensitivity towards TNP compared to that of other nitro aromatics under optimal conditions and the detection limit calculated was found to be 6.324 nM for TNP. The synthesized nanocomposite provides a promising platform for the development of sensors with improved reproducibility and stability for ultra-sensitive and selective sensing of TNP.

• 한국생물정보학회:학술대회논문집
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• 한국생물정보시스템생물학회 2004년도 The 3rd Annual Conference for The Korean Society for Bioinformatics Association of Asian Societies for Bioinformatics 2004 Symposium
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• pp.221-233
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• 2004

Molecular docking falls into the general category of global optimization problems since its main purpose is to find the most stable complex consisting of a receptor and its ligand. Conformational space annealing (CSA), a powerful global optimization method, is incorporated with the Tinker molecular modeling package to perform molecular docking simulations of six receptor-ligand complexes (3PTB, 1ULB, 2CPP, 1STP, 3CPA and 1PPH) from the Protein Data Bank. In parallel, Monte Carlo with minimization (MCM) method is also incorporated into the Tinker package for comparison. The energy function, consisting of electrostatic interactions, van der Waals interactions and torsional energy terms, is calculated using the AMBER94 all-atom empirical force field. Rigid docking simulations for all six complexes and flexible docking simulations for three complexes (1STP, 3CPA and 1PPH) are carried out using the CSA and the MCM methods. The simulation results show that the docking procedures using the CSA method generally find the most stable complexes as well as the native -like complexes more efficiently and accurately than those using the MCM, demonstrating that CSA is a promising search method for molecular docking problems.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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• pp.160.1-160.1
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• 2014

Using a density functional theory calculation including van der Waals (vdW) corrections, we report that $H_2$ adsorption in a cubic-crystalline microporous metal-organic framework (MOF-5) leads to volume shrinkage, which is in contrast to the intuition that gas adsorption in a confined system (e.g., pores in a material) increases the internal pressure and then leads to volumetric expansion. This extraordinary phenomenon is closely related to the vdW interactions between MOF and $H_2$ along with the $H_2$-$H_2$ interaction, rather than the Madelung-type electrostatic interaction. At low temperatures, $H_2$ molecules adsorbed in the MOF-5 form highly symmetrical interlinked nanocages that change from a cube-like shape to a sphere-like shape with $H_2$ loading, helping to exert centrosymmetric forces and hydrostatic (volumetric) stresses from the collection of dispersive interactions. The generated internal negative stress is sufficient to overcome the stiffness of the MOF-5 which is a soft material with a low bulk modulus (15.54 GPa).

• Journal of Astronomy and Space Sciences
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• 제7권2호
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• pp.113-123
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• 1990

전자 beam이 중성 plasma계에 들어왔을 때의 상호작용을 이차원 정전 model을 사용하여 수치계산을 한 결과 beam의 밀도변화에 따라 상호작용이 큰 변화를 보이는 것으로 나타났다. beam 전자의 밀도가 주변 전자의 밀도보다 낮을 때는 많은 양의 beam들이 주변 plasma와의 상호작용을 통해 위상공간에서 vortex 구조를 보이며 입사지역으로부터 멀리 진행할 수 있었던 반면 beam 전자들의 밀도가 높을 때는 대부분의 beam 전자들이 입사지역으로 되돌아오는 희귀전류를 형성하였다. 이 때 자기장의 게기에 따라 전자보다 훨씬 질랴이 큰 ion들이 가속될 수도 있으며 전자들의 전파와 상호작용의 양상이 크게 바뀔 수 있는 것으로 나타났다.