• Title/Summary/Keyword: oligomer

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Computational Study on Oligomer Formation of Fibril-forming Peptide of α-Synuclein

  • Park, Seong-Byeong;Yoon, Je-Seong;Jang, Soon-Min;Lee, Kyung-Hee;Shin, Seok-Min
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.848-854
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    • 2012
  • We have studied the oligomerization of a fibril-forming segment of ${\alpha}$-Synulcein using a replica exchange molecular dynamics (REMD) simulation. The simulation was performed with trimers and tetramers of a 12 amino acid residue stretch (residues 71-82) of ${\alpha}$-Synulcein. From extensive REMD simulations, we observed the spontaneous formation of both trimer and tetramer, demonstrating the self-aggregating and fibril-forming properties of the peptides. Secondary structure profile and clustering analysis illustrated that antiparallel ${\beta}$-sheet structures are major species corresponding to the global free energy minimum. As the size of the oligomer increases from a dimer to a tetramer, conformational stability is increased. We examined the evolution of simple order parameters and their free energy profiles to identify the process of aggregation. It was found that the degree of aggregation increased as time passed. Tetramer formation was slower than trimer formation and a transition in order parameters was observed, indicating the full development of tetramer conformation which is more stable than that of the trimer. The shape of free energy surface and change of order parameter distributions indicate that the oligomer formation follows a dock-and-lock process.

Synthesis and Properties of Hexyl End-Capped Thiophene Oligomers Containing Anthracene Moiety in the Center

  • Choi, Jung-Hei;Cho, Dae-Won;Jin, Sung-Ho;Yoon, Ung-Chan
    • Bulletin of the Korean Chemical Society
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    • v.28 no.7
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    • pp.1175-1182
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    • 2007
  • A series of new organic semiconductors hexyl end-capped thiophene-anthracene oligomers containing the anthracene moiety in the center of the oligomers are synthesized. The target oligomers have been obtained by Stille coupling reactions as key step reactions. The synthesized thiophene-anthracene oligomers were characterized by 1H-NMR, 13C-NMR and high-resolution mass spectroscopy, respectively. All of the oligomers are soluble in chlorinated solvents. Their optical, thermal and electrochemical properties were measured. The hexyl end-capped oligomers and their unsubstituted oligomers exhibit the same absorption behavior in dilute toluene solution. Hexyl end-capped bis-terthienylanthracene oligomer is observed to show liquid crystalline mesophase at 166 oC in heating process. The thermal analyses as well as the electrochemical measurement data indicate that the designed materials show better thermal and oxidation stability than the corresponding oligothiophenes without anthracene core. Fluorescence lifetimes and fluorescence quantum yields of the thiophene-anthracene oligomers are measured to be 10-14 ps and 3.4-9.9 × 10?3 which are much shorter and lower than those of oligothiophenes respectively.

Synthesis of CNFs(Carbon Nanofibers)/DAAQ electrode for Supercapacitor (슈퍼커패시티용 DAAQ/CNFs 전극의 제조)

  • Lee, Tae-Soo;Lee, Yun-Hee;Choi, Weon-Kyung;Park, Soo-Gil
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2003.07b
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    • pp.1220-1223
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    • 2003
  • A new type electric double layer capacitor (EDLC) was constructed by using carbon nanofibers (CNFs) and DAAQ(1,5-diaminoanthraquinone) electrode. Carbonaceous materials are found in variety forms such as graphite, diamond, carbon fibers etc. While all the carbon nanofibers include impurities such as amorphous carbon, nanoparticles, catalytic metals and incompletely grown carbons. We have eliminated of Ni particles and some carbonaceous particles in nitric acid. Nitric acid treated CNFs could be covered with very thin DAAQ oligomer from the results of CV and TG analyses and SEM images. A crystalline supramolecular oligomer of 1,5-diaminoanthraquinone(DAAQ) was successfully prepared as a thin film by electrochemical oxidation from an acidic non-aqueous medium. DAAQ oligomer film exhibited a specific capacity as 45-50 Ah/kg in 4M $H_2SO_4$. Its electrochemical characteristics were investigated by cyclic voltammetry. And compared with different electrolyte of aqueous type. During ultrasonic irradiation CNFs was to disperse in 0.1M $H_2SO_4$. As a result, CNFs coated by DAAQ composite electrode showed relatively good electrochemical behaviors.

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Styrenic Polymer/Organoclay Nanocomposite Prepared via in-situ Polymerization with an Azoinitiator Linked to an Epoxy Oligomer

  • Jeong, Han-Mo;Choi, Mi-Yeon;Kim, Min-Seok;An, Jin-Hee;Jung, Jin-Su;Kim, Jae-Hoon;Kim, Byung-Kyu;Cho, Sung-Man
    • Macromolecular Research
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    • v.14 no.6
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    • pp.610-616
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    • 2006
  • An azoinitiator linked to an epoxy oligomer, which could easily diffuse into the organoclay gallery and swell it, was used as an initiator to enhance the delamination of an organoclay, Cloisite 25A, in a matrix of styrenic polymers, poly(styrene-co-acrylonitrile) and polystyrene, during the preparation of a nanocomposite via an in-situ polymerization method. X-ray diffraction results and transmission electron microscopic observation of the morphology showed that the epoxy segment enhanced not only the delamination but also the extrication of ammonium cations from the organoclay gallery into the polymer matrix. The latter phenomenon induced the structural change of the alkyl group of ammonium cations in the gallery from a bilayer to monolayer structure, and also decreased the glass-rubber transition temperature as measured by a differential scanning calorimeter and dynamic mechanical analyzer.

Determining the Dynamic Sequence of Carbonyl Groups in a Rod-Coil Liquid Crystalline Oligomer Using Two-Dimensional Raman Correlation Spectroscopy (액정올리고머에 있는 카보닐그룹들의 동적순서에 대한 2차원 라만상관분광법 연구)

  • Jung, Kab-Sang;Yu, Soo-Chang;Han Yu, Keon-Ok
    • Journal of the Korean Chemical Society
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    • v.48 no.3
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    • pp.261-265
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    • 2004
  • We investigated the order of local movement of functional groups (-C(=O)O) in a liquid crystalline (LC) oligomer (12-4) using 2D Raman correlation spectroscopy. The results suggest that the free carbonyl near the ethyl terminal group moved first, followed by the hydrogen-bonded group. The free carbonyl group between the biphenyl groups rarely moved. Interestingly, 2D sample-to-sample correlation spectroscopy (2D STSCS) revealed that some of the carbonyl modes started to move at far below (50$^{\circ}C$) the LC temperature (135$^{\circ}C$), countering conventional beliefs.

A study on the Electrical Characteristics of $\alpha$-Sexithiophene Thin Film ($\alpha$-Sexithienyl 박막의 전기적 특성에 관한 연구)

  • 오세운;권오관;최종선;김영관;신동명
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1997.11a
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    • pp.518-520
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    • 1997
  • Recently, thiophene oligomer with short chain lengths has received much attention as model compounds for facilitating better understanding of electronic and optical properties of polymers, because oligomer is well-defined chemical systems and its conjugation chain length can be exactly controlled. Moreover, organic this films based on conjugated thiophene oligomer have potential for application to electronic and optoelectronic devices such as MISFETs(metal-insulator-semiconductor field-effect transistors) and LEDs(light-emitting diodes). However, there is little knowledge on electronic and structural properties of linear-conjugated oligothiophenes in solid states, compared with those in solutions. $\alpha$-sexithienyl($\alpha$-6T) thin-films were deposited by OMBD(Organic Molecular Beam Deposition) technique, where the $\alpha$-6T was synthesized and purified by the sublimation method. The $\alpha$-6T films were deposited under various conditions. The effects of deposition rate, substrate temperature, and vacuum pressure on the formation of these films have been studied. The molecules in the $\alpha$-6T film deposited at a low deposition rate under a high vacuum were aligned almost perpendicular to the substrate. The $\alpha$-6T films deposited at an elevated substrate temperature showed higher conductivity than the film deposited at room temperature. Electrical characterization of these films will be also executed by using four-point probe measurement technique.

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Purification, crystallization, and preliminary X-ray diffraction data analysis for PB1 dimer of P62/SQSTM1

  • Shin, Ho-Chul;Lim, Dahwan;Ku, Bonsu;Kim, Seung Jun
    • Biodesign
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    • v.6 no.4
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    • pp.100-102
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    • 2018
  • Autophagy is a degradation pathway that targets many cellular components and plays a particularly important role in protein degradation and recycling. This process is very complex and several proteins participate in this process. One of them, P62/SQSTM1, is related to the N-end rule and induces protein degradation through autophagy. The P62/SQSTM1 makes a huge oligomer, and this oligomerization is known to play an important role in its mechanism. This oligomerization takes two steps. First, the PB1 domain of P62/SQSTM1 makes the base oligomer, and then, when the ligand binds to the ZZ domain of P62/SQSTM1, it induces a higher oligomer by the disulfide bond of the two cysteines. To understand the oligomerization mechanism of P62/SQSTM1, we need to know the dimerization of the PB1 domain. In this study, crystals of PB1 dimer were made and the crystals were diffracted by X-ray to collect usable data up to 3.2A. We are analyzing the structure using the molecular replacement (MR) method.

Solid State Dye-Sensitized Solar Cells Employing Polymer Electrolytes : Oligomer Approach

  • Kang, Yong-Soo;Lee, Yong-Gun;Kang, Moon-Sung;Kim, Jong-Hak;Char, Kook-Choen
    • Proceedings of the Polymer Society of Korea Conference
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    • 2006.10a
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    • pp.63-64
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    • 2006
  • The solid state dye-sensitized solar cells (DSSCs) employing polymer electrolytes show high overall energy conversion efficiency as high as 4.5 % at 1 sun conditions. The improved efficiency may be primarily due to the enlarged interfacial contact area between the electrolyte and dyes in addition to the increased ionic conductivity, which were done by utilizing liquid oligomers, followed by in situ self-solidification, to form the solid DSSCs: "Oligomer Approach". The effect of the charge transfer resistance at the counter electrode side on the efficiency has also been investigated.

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