• Title/Summary/Keyword: Molecular structures

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Molecular Dynamics Simulation of Adhesion Processes

  • Cho, Sung-San;Park, Seungho
    • Journal of Mechanical Science and Technology
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    • v.16 no.11
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    • pp.1440-1447
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    • 2002
  • Adhesion of a hemispherical tip to the flat surface in nano-structures is simulated using the molecular dynamics technique. The tip and plates are modeled with the Lennard-Jones molecules. The simulation focuses on the deformation of the tip. Detailed descriptions on the evolution of interaction force, the energy dissipation due to adhesion hysteresis, the forma- tion-growth-breakage of adhesive junction as well as the evolution of molecular distribution during the process are presented. The effects of the tip size, the maximum tip approach, the tip temperature, and the affinity between the tip and the mating plate are also discussed.

From Two- To Three-Dimensional Molecular Assemblies for Photoelectric Conversion

  • Yamada, Sunao;Nitahara, Satoshi
    • Journal of Photoscience
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    • v.11 no.1
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    • pp.1-6
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    • 2004
  • Molecular assembling is one of the current interests in the field of bottom-up nanotechnology. Self-assembled monolayers of sulfur-containing molecules or supramolecular assemblies via surface sol-gel processes formed on conductive supports are chemically robust and can be easily fabricated without sophisticated instruments. We have fabricated various types of molecular assemblies consisting of donor-acceptor pairs on the surfaces of gold and indium-tin-oxide electrodes. Build-up of three-dimensional multi structures consisting of thiol dyes and gold nanoparticles also has been successful. These assemblies showed clear photocurrent responses in photoelectro-chemical cells. In this article, we will describe recent progress on photoelectric conversion using molecular assemblies especially focused on our research results.

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A Comparison of Three Dimensional Structures of Insulin, Proinsulin and Preproinsulin Using Computer Aided Molecular Modeling

  • Oh, Mi-Na;Mok, Hun;Lim, Yoong-Ho
    • Applied Biological Chemistry
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    • v.41 no.8
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    • pp.568-571
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    • 1998
  • The conformations of human insulin precursors, proinsulin and preproinsulin, are described in terms of molecular dynamics simulations. Despite the presence of the C-peptide and/or the signal peptide, molecular dynamics calculations utilizing the hydration shell model over a period of 500 ps indicate that the native conformations of the A and B chains are well conserved in both cases. These results further support the NMR spectroscopy results that the C-peptide is relatively disordered and does not influence the overall conformation of the native structure. The robustness of the native structure as demonstrated by experiment and simulation will permit future protein engineering applications, whereby the expression or purification yields can be improved upon sequence modification of the C-peptide and/or the signal peptide.

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Molecularly Imprinted Monolithic Stationary Phases for Liquid Chromatographic Separation of Tryptophan and N-CBZ-Phenylalanine Enantiomers

  • Yan, Hong-Yuan;Row, Kyung-Ho
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.11 no.4
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    • pp.357-363
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    • 2006
  • Monolithic molecularly imprinted columns were designed and prepared by an in-situ thermal-initiated copolymerization technique for rapid separation of tryptophan and N- CBZ-phenylalanine enantiomers. The influence of polymerization conditions and separation conditions on the specific molecular recognition ability for enantiomers and diastereomers was investigated. The specious molecular recognition was found to be dependent on the stereo structures and the arrangement of functional groups of the imprinted molecule and the cavities in the molecularly imprinted polymer (MIP). Moreover, hydrogen bonding interactions and hydrophobic interactions played an important role in the retention and separation. Compared to conventional MIP preparation procedures, the present method is very simple, and its macroporous structure has excellent separation properties.

Long noncoding RNA involvement in cancer

  • Maruyama, Reo;Suzuki, Hiromu
    • BMB Reports
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    • v.45 no.11
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    • pp.604-611
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    • 2012
  • Recent advances in genome and transcriptome analysis have enabled identification of numerous members of a new class of noncoding RNA, long noncoding RNA (lncRNA). lncRNAs are broadly defined as RNA molecules greater than 200 nt in length and lacking an open reading frame. Recent studies provide evidence that lncRNAs play central roles in a wide range of cellular processes through interaction with key component proteins in the gene regulatory system, and that alteration of their cell- or tissue-specific expression and/or their primary or secondary structures is thought to promote cell proliferation, invasion and metastasis. The biological and molecular characteristics of the large majority of lncRNAs remains unknown, and it is anticipated that improved understanding of the roles played by lncRNAs in cancer will lead to the development of novel biomarkers and effective therapeutic strategies.

Dibenzocyclooctene lignan compounds isolated from the fruits of Schisandra chinensis Baill

  • Piao, LongZhu;Lee, Yu-Joung;PhamPhu, ThanhTruc;Shin, Jae-Kyoon
    • Natural Product Sciences
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    • v.11 no.4
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    • pp.248-252
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    • 2005
  • Schisandra chinensis Baill. (Shisandraceae) is used commonly in traditional Korean herbal medicine. One new dibenzocyclooctene lignan compound, benzoylgomisin Q, was found, for the first time, in the fruits of Schisandra chinensis Baill., together with five known lignan compounds; schisandrin, gomisin A, gomisin G, deoxyschisandrin, and gomisin N, using an ESI-positive MS-preparative HPLC auto-purification system. The structures of these compounds were determined via UV, MS, and NMR spectral studies.

Photo-induced Living Cationic Polymerization of Tetrahydrofuran. III. Synthesis of Poly(THF-co-3-MTHF)

  • Soukil Mah;Choi, Jia;Lee, Hansup;Choi, Soonja
    • Fibers and Polymers
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    • v.1 no.1
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    • pp.1-5
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    • 2000
  • Poly(3-methyltetrahydrofuran)(3-MTHF) and poly(tetrahydrofuran-co-3-MTHF), having very narrow molecular weight distribution were successfully synthesized via photo-induced living cationic polymerization in the presence of diphenyliodonium hexafluorophosphate. Linear relationship between % conversion and number average molecular weight of resulting poly(3-MTHF) in the polymerization of 3-MTHF, carried out at -22$^{\circ}C$, indicates that the 5-membered cyclic oxonium ion, being responsible for the cationic propagation is stabilized by ion pall formation with hexafluorophosphate anion, supplied from the salt. The linear relationship between two parameters, mentioned above was also observed in the copolymerization of 3-MTHF with THF, carried out at 0 and -22$^{\circ}C$. The molecular structures including the copolymer composition and average molecular weight and its distribution is determined by reaction parameters such as monomer feed ratio and reaction temperature.

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Characterization of Oilgosaccharide Moieties of Rat Intestinal Phytase

  • Yang, Won-Jin;Kim, Kil-Woong
    • Archives of Pharmacal Research
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    • v.17 no.5
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    • pp.309-313
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    • 1994
  • Phytase of rat intestine had a large amount of oilgosacchanrides ; The enzyme consisted of two different subunits with the molecular weights of 90 KDa and 70 KDa in its intack form, whereas the apparent molecular weights tumed to 72 KDa and 52 KDa, respectively, after deglycosylation. The treatment with glycopeptidase F reduced the molecular weights from 90 KDa and 70 KDa to 83 KDa and 52 KDa, respectively, While endoglycosidase H caused no change in their molecular weights. These results indicate that the 70KDa subunit contains only the N-linked oilgosaccharide chains, while the 90KDa subunit ocntains O-linked oilgosaccharides as well as N-linked ones. Enzyme-linked lectin assays suggeted that bisecting N-acetyl-D-glucosamine and galactose 1-4 N-acetyl-D-glucosamine structures were present and that fucose was included in these oilgosaccharide moieties. Sialic acid was not found in either subunit.

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Nucleic Acid Aptamers: New Methods for Selection, Stabilization, and Application in Biomedical Science

  • Kong, Hoon Young;Byun, Jonghoe
    • Biomolecules & Therapeutics
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    • v.21 no.6
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    • pp.423-434
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    • 2013
  • The adoption of oligonucleotide aptamer is well on the rise, serving an ever increasing demand for versatility in biomedical field. Through the SELEX (Systematic Evolution of Ligands by EXponential enrichment), aptamer that can bind to specific target with high affinity and specificity can be obtained. Aptamers are single-stranded nucleic acid molecules that can fold into complex three-dimensional structures, forming binding pockets and clefts for the specific recognition and tight binding of any given molecular target. Recently, aptamers have attracted much attention because they not only have all of the advantages of antibodies, but also have unique merits such as thermal stability, ease of synthesis, reversibility, and little immunogenicity. The advent of novel technologies is revolutionizing aptamer applications. Aptamers can be easily modified by various chemical reactions to introduce functional groups and/or nucleotide extensions. They can also be conjugated to therapeutic molecules such as drugs, drug containing carriers, toxins, or photosensitizers. Here, we discuss new SELEX strategies and stabilization methods as well as applications in drug delivery and molecular imaging.