• Title/Summary/Keyword: molecular design

검색결과 741건 처리시간 0.022초

Functional Polymers with Controlled Molecular Architecture: Design, Synthesis and Applications

  • Frechet Jean M.J.
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.1-2
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    • 2006
  • Polymer architecture plays a great role in determining the properties of functional polymers. This lecture will explore the design and the synthesis of polymers with controlled architecture and functionality. Especially featured will be star and dendritic architectures where the functional group placement and the molecular shape can be controlled. This will be followed by examples of applications illustrated with a few model systems of functional polymers designed for use in areas such as organic electronics, catalysis, surface patterning, separation and molecular recognition, and polymer therapeutics.

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3',4'-Dihydroxyl Groups in Luteolin are Important for Its Inhibitory Activities against ADAMTS-4

  • Choi, Ji-Won;Jeong, Ki-Woong;Kim, Jin-Kyoung;Chang, Byung-Ha;Lee, Jee-Young;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
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    • 제33권9호
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    • pp.2907-2909
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    • 2012
  • A disintegrin and metalloprotease with thrombospondin domains (ADAMTS) are a member of peptidase and involved in processing of von Willebrand factor as well as cleavage of aggrecan, versican, brevican and neurocan. Among 19 subfamilies of human ADAMTS, ADAMTS-4 is a zinc-binding metalloprotease and is a famous therapeutic target for arthritis. It has been reported that a flavonoid luteolin shows inhibitory activity against ADMATS-4. In this study, we verified that luteolin is a potent inhibitor of ADAMTS-4 and probed the molecular basis of its action. On the basis of a docking study, we proposed a binding model between luteolin and ADAMTS-4 in which 3',4'-dihydroxyl groups in luteolin formed hydrogen bonding with ADMATS-4 and these interactions are important for its inhibitory activity against ADAMTS-4.

Cathodic Electrochemical Deposition of Highly Ordered Mesoporous Manganese Oxide for Supercapacitor Electrodes via Surfactant Templating

  • Lim, Dongwook;Park, Taesoon;Choi, Yeji;Oh, Euntaek;Shim, Snag Eun;Baeck, Sung-Hyeon
    • Journal of Electrochemical Science and Technology
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    • 제11권2호
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    • pp.148-154
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    • 2020
  • Highly ordered mesoporous manganese oxide films were electrodeposited onto indium tin oxide coated (ITO) glass using sodium dodecyl sulfate (SDS) and ethylene glycol (EG) which were used as a templating agent and stabilizer for the formation of micelle, respectively. The manganese oxide films synthesized with surfactant templating exhibited a highly mesoporous structure with a long-range order, which was confirmed by SAXRD and TEM analysis. The unique porous structure offers a more favorable diffusion pathway for electrolyte transportation and excellent ionic conductivity. Among the synthesized samples, Mn2O3-SDS+EG exhibited the best electrochemical performance for a supercapacitor in the wide range of scan rate, which was attributed to the well-developed mesoporous structure. The Mn2O3 prepared with SDS and EG displayed an outstanding capacitance of 72.04 F g-1, which outperform non-porous Mn2O3 (32.13 F g-1) at a scan rate of 10 mV s-1.

고효율의 리튬/공기 이차전지 공기전극용 Mn1+XCo2-XO4 고용체 촉매 합성 및 분석 (Synthesis and Characterizations of Mn1+XCo2-XO4 Solid Solution Catalysts for Highly Efficient Li/Air Secondary Battery)

  • 박인영;장재용;임동욱;김태우;심상은;박석훈;백성현
    • 전기화학회지
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    • 제18권4호
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    • pp.137-142
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    • 2015
  • $Mn_{1+X}Co_{2-X}O_4$ solid solutions with various Mn/Co ratios were synthesized by a combustion method, and used as cathode catalysts for lithium/air secondary battery. Their electrochemical and physicochemical properties were investigated. The morphology was examined by transmission electron microscopy (TEM), and the crystallinity was confirmed by X-ray diffraction (XRD) analyses. For the measurement of electrochemical properties, charge and discharge measurements were carried out at a constant current density of $0.2mA/cm^2$, monitoring the voltage change. Electrochemical impedance spectroscopy (EIS) analyses were also employed to examine the change in charge transfer resistance during charge-discharge process. $Mn_{1+X}Co_{2-X}O_4$ solid solutions showed enhanced cycleability as a cathode of Li/air secondary battery, and the performance was found to be strongly dependent on Mn/Co ratio. Among synthesized catalysts, $Mn_{1.5}Co_{1.5}O_4$ exhibited the best performance and cycleability, due to high charge transfer rate.

The Influence of Dielectric Constant on Ionic and Non-polar Interactions

  • Hwang, Kae-Jung;Nam, Ky-Youb;Kim, Jung-Sup;Cho, Kwang-Hwi;Kong, Seong-Gon;No, Kyoung-Tai
    • Bulletin of the Korean Chemical Society
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    • 제24권1호
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    • pp.55-59
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    • 2003
  • This work is focused on analyzing ion-pair interactions and showing the effect of solvent induced inter-atomic attractions in various dielectric environments. To estimate the stability of ion-pairs, SCI-PCM ab initio MO calculations were carried out. We show that the solvent-induced attraction or ‘cavitation' energy of the ion-pair interactions in solution that arises mainly from the stabilization of the water molecules by the generation of an electrostatic field. In fact, even the strong electrostatic interaction characteristic of ion-pair interactions in the gas phase cannot overcome the destabilization or reorganization of the water molecules around solute cavities that arise from cancellation of the electrostatic field. The solvent environment, possibly supplemented by some specific solvent molecules, may help place the solute molecule in a cavity whose surroundings are characterized by an infinite polarizable dielectric medium. This behavior suggests that hydrophobic residues at a protein surface could easily contact the side chains of other nearby residues through the solvent environment, instead of by direct intra-molecular interactions.

Preparation of Oligonucleotide Arrays with High-Density DNA Deposition and High Hybridization Efficiency

  • Park, Jeong-Won;Jung, Yong-Won;Jung, Young-Hwan;Seo, Jeong-Sun;Lee, Young-Hoon
    • Bulletin of the Korean Chemical Society
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    • 제25권11호
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    • pp.1667-1670
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    • 2004
  • In DNA microarray produced by DNA-deposition technology, DNA-immobilization and -hybridization yields on a solid support are most important factors for its accuracy and sensitivity. We have developed a dendrimeric support using silylated aldehyde slides and polyamidoamine (PAMAM) dendrimers. An oligonucleotide array was prepared through a crosslinking between the dendrimeric support and an oligonucleotide. Both DNAimmobilization and -hybridization yields on the solid support increased by the modification with the dendrimers. The increase of the immobilization and hybridization efficiency seems to result from a threedimensional arrangement of the attached oligonucleotide. Therefore, our dendrimeric support may provide a simple and efficient solution to the preparation of DNA microarrays with high-density DNA-deposition and high hybridization efficiency.

MS-HEMs: An On-line Management System for High-Energy Molecules at ADD and BMDRC in Korea

  • Lee, Sung-Kwang;Cho, Soo-Gyeong;Park, Jae-Sung;Kim, Kwang-Yeon;No, Kyoung-Tae
    • Bulletin of the Korean Chemical Society
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    • 제33권3호
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    • pp.855-861
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    • 2012
  • A pioneering version of an on-line management system for high-energy molecules (MS-HEMs) was developed by the ADD and BMDRC in Korea. The current system can manage the physicochemical and explosive properties of virtual and existing HEMs. The on-line MS-HEMs consist of three main routines: management, calculation, and search. The management routine contains a user-friendly interface to store and manage molecular structures and other properties of the new HEMs. The calculation routine automatically calculates a number of compositional and topological molecular descriptors when a new HEM is stored in the MS-HEMs. Physical properties, such as the heat of formation and density, can also be calculated using group additivity methods. In addition, the calculation routine for the impact sensitivity can be used to obtain the safety nature of new HEMs. The impact sensitivity was estimated in a knowledge-based manner using in-house neural network code. The search routine enables general users to find an exact HEM and its properties by sketching a 2D chemical structure, or to retrieve HEMs and their properties by giving a range of properties. These on-line MS-HEMs are expected be powerful tool for deriving novel promising HEMs.

Synthesis of 5,6-Dihydro[1,10]phenanthroline Derivatives and Their Properties as Hole-Blocking Layer Materials for Phosphorescent Organic Light-Emitting Diodes

  • Lee, Hyo-Won;An, Jung-Gi;Yoon, Hee-Kyoon;Jang, Hyo-Sook;Kim, Nam-Gwang;Do, Young-Kyu
    • Bulletin of the Korean Chemical Society
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    • 제26권10호
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    • pp.1569-1574
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    • 2005
  • To develop new hole-blocking materials for phosphorescent organic light-emitting diodes (PhOLEDs), 5,6-dihydro-2,9-diisopropyl-4,7-diphenyl[1,10]phenanthroline (1) and 5,6-dihydro-2,9-diisopropyl-4-(4-methoxyphenyl)-7-phenyl[1,10]phenanthroline (2) were synthesized. While the absorption spectrum of 1 is very similar to that of 2, the photoluminescence spectrum of 1 has the feature of the narrower and blue-shifted blueviolet emission at the peak of 356 nm compared to that of 2. The HOMO and LUMO energy levels of 1 and 2 were estimated from the measurement of cyclic voltammetry, and 1 has the appropriate levels for a holeblocking layer (HBL). The use of 1 as a HBL in a green PhOLED led to good efficiency of 23.6 cd/A at 4.4 mA/$cm^2$.

폴리에틸렌글리콜의 분자량에 따른 셀룰로스에서의 확산 거동 (The Effect of the Molecular Weight of Poly(ethylene glycol) on Diffusion through Cellulose)

  • 윤기종;우종형;서영삼
    • 한국염색가공학회지
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    • 제16권1호
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    • pp.48-52
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    • 2004
  • Diffusion/penetration rates of finishing agents are not a major criterion in the design of low molecular weight finishing agents. However, in the case of polymeric finishing agents, high molecular weights result in large hydrodynamic volumes and diffusion/penetration of the finishing agent into the substrate may become a critical factor in the design of textile finishing agents. Thus the effect of the molecular weight of a model compound, polyethylene glycol, on its diffusion through a cellulose membrane or cotton fabric is studied. Diffusion experiments of polyethylene glycol of molecular weight 400, 1000, 2000, 4600, 8000, and 10000 through cellulose membrane or fabric was carried out in a glass U-tube diffusion apparatus and the half penetration times and the penetration coefficients were determined. Both the half penetration times and the penetration coefficients exhibited a significant change between molecular weight 2000 and 2500 as the molecular weight of polyethylene glycol increased, suggesting that there is a critical molecular weight above which diffusion/penetration becomes difficult. Based on this study on a model compound, it is suggested that polymeric textile finishing agents can be expected to exhibit similar behavior.