• 제목/요약/키워드: Chain Structure

검색결과 1,313건 처리시간 0.025초

In silico Analysis of Natural Compounds as Modulators of Type I Collagen

  • Narayanaswamy, Radhakrishnan;Wai, Lam Kok;Esa, Norhaizan Mohd;Ismail, Intan Safinar
    • Journal of Integrative Natural Science
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    • 제9권3호
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    • pp.166-170
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    • 2016
  • Collagen plays a vital role in the maintenance of structure and function of a human body. It has been widely applied in various fields including biomedical, cosmeceutical, food, pharmaceutical and tissue engineering. In the present study, the docking behaviour of type I collagen with 15 different ligands namely hydroxymethylfurfural, methylglyoxal, methylsyringate, O-methoxyacetophenone, 3-phenyllactic acid, 4-hydroxybenzoic acid, kojic acid, lumichrome, galangin, artoindonesianin F, caffeic acid, 4-coumaric acid, origanol A, thymoquinone and quercetin was evaluated along with their putative binding sites using Discovery Studio Version 3.1. Docking studies and binding free energy calculations revealed that origanol A has maximum interaction energy (-40.48 kcal/mol) and quercetin with the least interaction energy (-15.44 kcal/mol) as compared to the other investigated ligands. Three ligands which are galangin, methylsyringate and origanol A were shown to interact with Asp21 amino acid residue of chain B (type I collagen). Therefore, it is strongly suggested that the outcomes from the present study might provide new insight in understanding these 15 ligands as potential type I collagen modulators for the prevention of collagen associate disorders.

Recycling Technology of Crosslinked-Polymers Using Supercritical Fluid (초임계 유체를 이용한 가교고분자 재활용기술)

  • Koo, Chong-Min;Yu, Si-Won;Baek, Bum-Ki;Cho, Hang-Kyu;Lee, Youn-Woo;Hong, Soon-Man
    • Elastomers and Composites
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    • 제47권2호
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    • pp.111-120
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    • 2012
  • Industrial wastes of crosslinked polymers have been burned or disposed of in landfills because there is no recycling technology due to their insoluble and infusible network chain structure. However, recycling of cross-linked polymers has been taken a growing attention because of issues of environmental pollution and of resources conservation. In this paper, uprising recycling technologies of crosslinked polymers using supercritical fluid are reviewed.

Homology Modeling and Molecular Docking Analysis of Streptomyces peucetius CYP125A4 as C26 Monooxygenase

  • Lee, Seung-Won;Lee, Na-Rae;Lee, Ji-Hun;Oh, Tae-Jin
    • Bulletin of the Korean Chemical Society
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    • 제33권6호
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    • pp.1885-1889
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    • 2012
  • Among 23 cytochrome P450s, CYP125A4 was proposed as a putative monooxygenase based on the high level of amino acid sequence homology (54% identity and 75% similarity) with the well characterized C27-steroid $Mycobacterium$ $tuberculosis$ CYP125A1. Utilizing MTBCYP125A1 as a template, homology modeling of SPCYP125A4 was conducted by Accelrys Discovery Studio 3.1 software. The modeled SPCYP125A4 structure with lowest energy value was subsequently assessed for its stereochemical quality and side-chain environment. The final model was generated by showing its active site through the molecular dynamics. The docking of steroids showed broad specificity of SPCYP125A4 with different orientation of ligand within active site facing the heme. One poses of C27-steroid with C26 facing the heme with distance of 3.734 ${\AA}$ from the Fe were predominant.

Crystal Structure of Two-Dimensional Bis(isonicotinato)tet-raaquazinc(II) Complex Linked by Hydrogen-Bonds (수소 결합에 의한 이차원의 Bis(isonicotinato)tetraaquazinc(II) 착물의 결정구조)

  • Park, Ki-Young;Kim, Moon-Jip;Suh, Il-Hwan
    • Korean Journal of Crystallography
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    • 제13권1호
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    • pp.17-20
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    • 2002
  • The complex [Zn(L)₂(H₂O)₄] (1) (L = isonicotinate) has been prepared and characterized by X-ray crystallography. Compound 1 crystallizes in the triclinic space group P1, with a = 6.9062(4) , b = 9.2618(7) , c = 6.3313(3) , α = 104.986(6)°, β = 112.865(4)°, γ = 96.213(6)°, V = 350.41(4) , Z = 1, R₁(wR₂) for 1225 observed reflections of [I > 2σ(I)] was 0.0209 (0.0591). The coordination environment of the zinc atom can be described as an octahedron in which the isonicotinato ligands are mutually trans. Compound 1 is also connected into a two-dimensional chain via hydrogen-bonds.

Solution Based Epoxidation Towards Facilitating the Production of Epoxidized Isoprene Rubbers

  • Zhang, Xiaojie;Sinha, Tridib Kumar;Oh, Jeong Seok;Kim, Jin Kuk
    • Elastomers and Composites
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    • 제55권3호
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    • pp.199-204
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    • 2020
  • Considering the immense applicability of isoprene rubbers, such as natural rubber (NR) and synthetic polyisoprene rubber (IR), attempts are being made to introduce more functionality within the rubber structure, e.g. epoxidation, to widen their technological viability. Epoxidation introduces polar epoxy bonds into the rubber molecular chain, resulting in enhanced intermolecular interactions among the rubber chains, increasing the oil resistance and air impermeability. Although there have been many reports on the epoxidation of NR in its latex form, there has been no such report using its solid form (or gum), which limits the epoxidation in terms of portability. Furthermore, the gum form has longer lifetime, while the latex form has limited lifetime for its efficient use. In this study, the epoxidation of natural rubber and polyisoprene rubber (using meta-chloroperoxybenzoic acid (mCPBA) as the epoxidizing agent) by dissolving their gum in hexane (i.e., the solution method) have been studied and compared. The effects of the amount of mCPBA, reaction time, and reaction temperature were investigated. The present process is easy and facilitates the epoxidation of rubbers in their solid form; therefore, it can be used for industrial upscaling of epoxidized rubber production.

Isolation and Identification of an acidoduric Streptomyces sp. from Forest Soil (산림토양으로 부터 내산성 streptomyces sp. 균주의 분리 및 동정)

  • 김재헌;송도한
    • Korean Journal of Microbiology
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    • 제25권3호
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    • pp.238-243
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    • 1987
  • In this study, an acidoduric Streptomyces strain was isolated and identified from acidic forest soil around Dankook University, Cheonan Campus. This isolated strain had rod-shaped, smooth, non-motile spore and the shape of spore chain was compact spiral. This structure appeared similar to the sporangium of the genus Streptosporangium but this strain proved to be a Streptomyces strain by an electron microscopic study and cell wall analysis. This strain showed a best growth on neutral medium, was also able to grow on the acidic media of pH 4.0 and pH 5.0. The color determination of this strain on various agar media and other physiological tests were carried out by ISP-methods. From these results, the isolated strain was considered to be Streptomyces mirabilis.

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The Effect of $SiO_2$ Affect to Thermally Stimulated Current of Insulating Silicone Rubbers (절연용 실리콘 고무의 열자격 전류에 미치는 $SiO_2$의 영향)

  • 이성일
    • Journal of the Korean Society of Safety
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    • 제11권2호
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    • pp.60-66
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    • 1996
  • In order to look into the internal structure and electrical properties of insulating Silicone rubbers added reinforcing fillers ; Silica(0-140 phr ), and to examine the behavior of charged particles, and the properties of thermally stimulated current (TSC) are investigated, respectively. From the TSC which are formed by applying the electric field of 2~5 ㎸/mm to specimen at temperature range from -150 to $270^{\circ}C$, the results arp as following. In the case of non-filled specimen, four peaks of $\delta$, $\gamma$ , $\beta$ and u are obtained at the temperature of $-120^{\circ}C$, $-60^{\circ}C$, $20^{\circ}C$ and $130^{\circ}C$, respectively and the case of filled specimen, three peaks of $\delta$, ${\alpha}_2$ and ${\alpha}_1$ are observed at the temperature of of $-120^{\circ}C$, $80^{\circ}C$ and $130^{\circ}C$, respectively. The origins of these peaks are that, the $\delta$ peak seems to the result from the contribution of side chain methyl radical, and the $\beta$ peak from the depolarization of space charge polarization owing to added imputity during during manufacturing specimens, and the $\beta$ peak from the orientation of $Si-CH_3$dipole, and the ${\alpha}_2$ near the temperature of $130^{\circ}C$ from carboxyl acid that is formed by the thermal oxidation of high temperature.

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Effects of Water Treating on Surface Properties of Epoxy Insulation Materials (Epoxy 절연재료이 표면특성에 미치는 수분처리의 영향)

  • Lim, Kyung-Bum;Lee, Duck-Chool
    • The Transactions of the Korean Institute of Electrical Engineers C
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    • 제49권10호
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    • pp.553-558
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    • 2000
  • This paper deals with change of contact angle, surface potential decay, surface resistivity and XPS of water-treated epoxy insulator. From the experimental results on the contact angle was reduced from $74^{\circ}$to $24^{\circ}$ due to the formation of polar hydroxyl groups on surface which was associated with intermolecular reaction between epoxy chains of three-dimensional network structure and water molecules. From the experimental results in the surface potential decay of water treated-samples, it was found that the accumulation of charge is decreased and the surface potential decay time is shortened by the interaction of polar hydroxyl groups induced on the treated surface as the increment of treatment time. The positive charging on the treated surface compared with negative charging is relatively lowered by the induction of polar hydroxyl groups. The surface resistivity was changed from $10^{15}[{\Omega}/cm^2$] to $10^{12}[{\Omega}/cm^2$] caused by water treatment. From XPS, it was found that the changes affected by the surface degradation of epoxy were caused by the generation of carboxyl groups through the chain decomposition and recombination with oxygen molecules in the air.

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Control of Tilt Angle in the Nematic Liquid Crystal on the Homeotropic Polyimide Surface as a Function of the Baking Condition (소성 조건 변화에 따른 수직 폴리이미드 표면에서 이용한 네마틱 액정의 틸트 제어)

  • Hwang, Jeoung-Yeon;Lee, Kyung-Jun;Kim, Kang-Woo;Seo, Dae-Shik
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • 제17권6호
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    • pp.661-667
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    • 2004
  • The control of tilt angle for nematic liquid crystal (NLC) with negative and positive dielectric anisotropy on the rubbed homeotropic polyimide (PI) using baking method by hot plate equipment was investigated. LC tilt angle decreased with increasing baking temperature and time. Especially, the low LC tilt angle of positive type NLC (Δ$\varepsilon$>0) on the rubbed homeotropic PI surface by increasing temperature and time was measured. The tilt angle of positive type NLC(Δ$\varepsilon$>0) is smaller than that of the negative type (Δ$\varepsilon$>0) on rubbed PI with increasing baking temperature and time. We consider that the tilt angle of NLC is decreased due to increasing the steric interaction between horizon component of permittivity $\varepsilon$ = of NLC and the stress of polymer side chain by high temperature. As the increase of baking temperature, we obtain that AFM (atomic force microscope) image of rubbed PI surface using Hot-plate method has formed better solid micro-groove structure than oven method.

Homology Modeling and Docking Studies of Streptomyces peucetius CYP147F1 as Limonene Hydroxylase

  • Bhattarai, Saurabh;Liou, Kwangkyoung;Oh, Tae-Jin
    • Journal of Microbiology and Biotechnology
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    • 제22권7호
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    • pp.917-922
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    • 2012
  • Homology modeling of Streptomyces peucetius CYP147F1 was constructed using three cytochrome P450 structures, CYP107L1, CYPVdh, and CYPeryF, as templates. The lowest energy SPCYP147F1 model was then assessed for stereochemical quality and side-chain environment by Accelrys Discovery Studio 3.1 software. Further activesite optimization of the SPCYP147F1 was performed by molecular dynamics to generate the final SPCYP147F1 model. The substrate limonene was then docked into the model. The model-limonene complex was used to validate the active-site architecture, and functionally important residues within the substrate recognition site were identified by subsequent characterization of the secondary structure. The docking of limonene suggested that SPCYP147F1 would have broad specificity with the ligand based on the two different orientations of limonene within the active site facing to the heme. Limonene with C7 facing the heme with distance of $3.4{\AA}$ from the Fe was predominant.