• Title/Summary/Keyword: molecular charge

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$3{\beta}$[L-Lysinamide-Carbamoyl] Cholesterol Cationic Lipid as a Biocompatible Vector for Efficient Gene Transfer

  • Choi, Joon-Sig;Lee, Eun-Jung;Jang, Hyung-Suk;Park, Jong-Sang
    • BMB Reports
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    • v.33 no.6
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    • pp.476-482
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    • 2000
  • In this paper, we report a new cationic lipid composed of L-lysinamide and cholesterol as a potent gene delivery vector. $3{\beta}$[L-Lysinamide-carbamoyl] cholesterol could self-assemble with plasmid DNA forming discrete lipoplexes. From atomic force microscopic images of the complexes, the size distribution was observed to range from 100 to 150 nm in diameter. The transfection efficiency of this amphiphile on different cell lines was evaluated as a micellar solution in the absence of the fusogenic helper lipid, dioleoyl phosphatidyletbanolamine (DOPE). Transfection experiments were performed as a function of charge ratio (lipid/DNA) and transfection time. Cytotoxicity and in vitro transfection efficiency of the amphiphile was demonstrated and compared with those of commercially available Lipofectin and polyethylenimine (PEI).

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Molecular Dynamics Simulation of Intercalation of Benzopyrene Motif in DNA (핵산의 분자역학적 모의실험을 통한 벤조피렌 층상구조의 발현)

  • Park, Kyung-Lae;Santos, Carlos De Los
    • YAKHAK HOEJI
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    • v.54 no.1
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    • pp.62-66
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    • 2010
  • Benzopyrene is known to be one of the most powerful carcinogens which can build intercalated motif between base pairs in damaged DNA. The dimension of benzopyrene itself is much bigger than any of the DNA bases and thus the question whether the lesion of some base pair by insertion of benzopyrene can happen with or without a dramatic distortion of the helical structure is a highly interesting theme. In this work we used a molecular mechanics simulation using AMBER program package to go into the conformational characteristics. The condition of the insertion process of the benzopyrene motif from minor groove of the starting structure between the base pairs in the internal area of double helix was investigated using the molecular dynamics simulation at elevated temperature.

Interfacial Charge Transport Anisotropy of Organic Field-Effect Transistors Based on Pentacene Derivative Single Crystals with Cofacial Molecular Stack (코페이셜 적층 구조를 가진 펜타센 유도체 단결정기반 유기트랜지스터의 계면 전하이동 이방성에 관한 연구)

  • Choi, Hyun Ho
    • Journal of Adhesion and Interface
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    • v.20 no.4
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    • pp.155-161
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    • 2019
  • Understanding charge transport anisotropy at the interface of conjugated nanostructures basically gives insight into structure-property relationship in organic field-effect transistors (OFET). Here, the anisotropy of the field-effect mobility at the interface between 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS-pentacene) single crystal with cofacial molecular stacks in a-b basal plane and SiO gate dielectric was investigated. A solvent exchange method has been used in order for TIPS-pentacene single crystals to be grown on the surface of SiO2 thin film, corresponding to the charge accumulation at the interface in OFET structure. In TIPS-pentacene OFET, the anisotropy ratio between the highest and lowest measured mobility is revealed to be 5.2. By analyzing the interaction of a conjugated unit in TIPS-pentacene with the nearest neighbor units, the mobility anisotropy can be rationalized by differences in HOMO-level coupling and hopping routes of charge carriers. The theoretical estimation of anisotropy based on HOMO-level coupling is also consistent with the experimental result.

MOLECULAR ORIENTATIONS OF INTRAMOLECULAR CHARGE TRANSFER AROMATIC MOLECULES IN THE ORGANIZED MEDIA

  • Shin, Dong Myung
    • Journal of Photoscience
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    • v.1 no.1
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    • pp.53-59
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    • 1994
  • Molecular orientation and polarity of solubilization site of dipolar azobenzenes solubilized in micellar solutions are discussed. The polarity of solubilization was estimated by using Taft $\pi$$^*$ scale with linear solvation energy relationship, $\Delta$E=$\Delta$E$_0$ + S($\pi$$^*$ + d$\delta$)+a$\alpha$ + b$\beta$. Hydrogen bonding effects were taken into account for the estimation of micropolarity. The polarity that azobenzenes experienced in the miceliar solutions was close to water which represented that the azobenzenes were mostly solubilized at the interface. For the orientations of azobenzenes were concerned, the nitro group of NPNOH faced the interface and the hydroxy group of NPNO$^-$ located at the interfacial area.

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Protein-silica Interaction in Silica-based Gel Filtration Chromatography (Silica-based Gel Filtration 크로마토그래피에서의 단백질-실리카 상호작용)

  • Choi, Jung-Kap;Yoo, Gyurng-Soo
    • YAKHAK HOEJI
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    • v.35 no.6
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    • pp.461-465
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    • 1991
  • Silica-based gel filtration chromatography has been used to characterize molecular weight of proteins. However, the molecular weight measured by this method was distorted by protein-silica interactions like hydrophobic and electrostatic forces. Therefore, we characterized protein-silica interaction using two forms of phytochrome (124 kDa) having different hydrophobicity and surface charge. PH and ionic strength affected the retention time of phytochrome suggesting that electrostatic force is the major interaction between protein and silica surface.

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Studies of the Monodipole-macrodipole Interactions within α-Helices Using the Point-charge Systems for Alanine

  • Park, Chang-Moon
    • Bulletin of the Korean Chemical Society
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    • v.24 no.6
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    • pp.824-828
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    • 2003
  • Our previous quantum mechanical calculations using polyalanine model systems showed that the monodipolemacrodipoleinteractions selectively stabilize α-helices and make it possible for α-helices to be formed inhydrophobic environment where the solvent effect is not available. The monodipole-macrodipole interactionsin α-helices were studied molecular mechanically using various point-charge systems available. The resultsshow that all the point-charge systems used in the calculations produce the monodipole-macrodipoleinteractions up to about 60% compared to the results of the quantum mechanical calculations. The results ofmolecular mechanical calculations are explained and discussed compared to the results of the quantummechanical calculations.

Charge-carrier Transport Properties of Organic Photoconductor by Photo-isomerization of Liquid Crystal with Azo Group (Azo기를 가지는 액정의 광 이성화에 따른 유기 광전도체의 carrier 수송 특성)

  • Lee, Bong;Sung, Jung-Hee;Moon, Chang-Kwon
    • Korean Journal of Materials Research
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    • v.9 no.5
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    • pp.473-477
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    • 1999
  • Xerographic properties of double-layer photoconductor doped with 4-butyl-4'-methoxyazobenzene (BMAB) as charge-carrier transport material were investigated. BMAB can undergo reversible trans-cis isomerization by light with appropriate wavelength. In the results of measured surface voltage properties for photoconductor doped with BMAB, TNF: BMAB(4-wt%) sample with trans form showed the lowest dark decay, the lowest residual voltage, and the highest sensitivity among cis form. The trans isomer of BMAB has ordering orientation because the molecule possesses a rodlike shape, while the cis isomer has random orientation due to its bent shape. Therefore the molecular arrangement of trans form enhanced charge-carrier transport mobility.

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High performance ambipolar organic transistors

  • Lee, Mi-Jung;Chen, Zhuoying;Sirringhaus, Henning
    • Proceedings of the Materials Research Society of Korea Conference
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    • 2012.05a
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    • pp.54.1-54.1
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    • 2012
  • Recent significant development of organic electronics is worthy of notice for its practical application as well as fundamental understandings. Complementary-like logic circuit is a key factor to realize actual operating organic electronic devices since its advantages of low power dissipation, good noise margin and stable operations. In this reason, studies on ambipolar properties of organic materials which can act as either n-type or p-type are getting more attentions. Performances of ambipolar transistors vary a lot along its molecular structures and film properties. When properly fabricated, balanced hole and electron mobilities over 1 cm2/Vs were observed recently. Study of charge transport in ambipolar organic transistors to understand this high performance was carried out through charge modulation spectroscopy.

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The Electronic Structure of Interaction Platinum(Ⅱ) with DNA bases, Adenine, Guanine, and Cytosine (Platinum(Ⅱ) Complex와 DNA bases인 Adenine, Guanine 그리고 Cytosine의 Interaction에 대한 전자구조)

  • Kim, Ui Rak;Kim, Sang Hae;Edward A. Boudreaux
    • Journal of the Korean Chemical Society
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    • v.34 no.6
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    • pp.539-547
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    • 1990
  • Molecular Orbital calculations using the SC-MEH method have been carried out for the interaction of Adenine, Guanine and Cytosine as DNA base and diaminecytosineplatinum(DCP) in various conformations. The results showed that the order of DCP binding to the DNA bases was guanine > adenine > cytosine and the stabilization energy of cis-isomer was larger than that of trans-isomer in the adenine-DCP complexes system. Furthermore, platinum(II) binding to DNA bases markedly gives rise to change of atomic charge in DNA bases ring, which can explain anti-tumor activity of platinum complex.

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Reaction of $FeC_5H_5^+$ Ion with Neutral Ferrocene: The Dependence of Reaction Pathways on Its Internal Energy

  • 김병주;소훈영
    • Bulletin of the Korean Chemical Society
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    • v.20 no.10
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    • pp.1181-1185
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    • 1999
  • The reaction of FeC5H5+ ion with ferrocene molecule is investigated using FT-ICR mass spectrometry. FeC5H5+ ions are generated by dissociative ionization of ferrocenes using an electron beam. The reaction gives rise to the formation of the adduct ion, Fe2(C5H5)3+, in competition with charge transfer reaction leading to the formation of ferrocene molecular ion, Fe(C5H5)2+·. The branching ratio of the adduct ion increases as the internal energy of the reactant ion decreases and correspondingly the branching ratio for the charge transfer reaction product decreases. The observed rate of the addition reaction channel is slower than that of the charge transfer reaction. The observation of the stable adduct ions in the low-pressure ICR cell is attributed to the radiative cooling of the activated ion-molecule complex. The mechanism of the reaction is presented to account for the observed experimental results.