• Title/Summary/Keyword: Molecular dynamic

Search Result 488, Processing Time 0.022 seconds

The Estimation of Dynamic/Impact Strength Characteristics of High Tensile Steel by Dynamic Lethargy Coefficient (동적무기력계수에 의한 고장력강의 동적.충격강도 특성 평가)

  • 송준혁;박정민;채희창;강희용;양성모
    • Transactions of the Korean Society of Automotive Engineers
    • /
    • v.10 no.2
    • /
    • pp.96-100
    • /
    • 2002
  • The purpose of this paper is presented a rational method of predicting dynamic/impact tensile strength of high tensile steel materials widely used fur structural material of automobiles. It is known that the ultimate strength is related with the loading speed and the Lethargy Coefficient from the tensile test. The Dynamic Lethargy Coefficient is proportional to the disorientation of the molecular structure and indicates the magnitude of defects resulting from the probability of breaking the bonds responsible for its strength. The coefficient is obtained from the simple tensile test such as failure time and stresses at fracture. These factors not only affect the static strength but also have a great influence on the dynamic/impact characteristics of the joist and the adjacent structures. This strength is used to analyze the failure life prediction of mechanical system by virtue of its material fracture. The impact tensile test is performed to evaluate the life parameters due to loading speed with the proposed method. Also the evaluation of the dynamic/impact effect on the material tensile strength characteristics is compared with the result of Campbell-Cooper equation to verify the proposed method.

Curing Properties of UV-ccurable Acrylate/Alkyd Resin Blends II (UV-curable Acrylate/Alkyd Resin 혼합계의 경화특성 II)

  • 남수용;이경옥;대평태문;구철회
    • Journal of the Korean Graphic Arts Communication Society
    • /
    • v.18 no.1
    • /
    • pp.157-166
    • /
    • 2000
  • UV-curable resins have adventages of quick set, space saving, clean environment, and efficient use of energy. The polymerization induced phase separation has been studied to solve the problem in UV-curing of thick films and develop the new functional materials. On the exposure to UV irradiation, the dynamic elasticity properties were mesured for mixtures of alkyd resin and UV-cruable monomers which have different molecular structures and molecular weights. The curing rate increases with increasing temperature and UV intensity. In addition, The gel point is strongly influenced by temperature and UV intensity

  • PDF

SITE-DIRECTED MUTATION STUDY ON HYPERTHERMOSTABILITY OF RUBREDOXIN FROM PYROCOCCUS FURIOSUS USING MOLECULAR DYNAMICS SIMULATIONS IN WATER

  • Jung, Dong-Hyun;Kang, Nam-Sook;Jhon, Mu-Shik
    • Proceedings of the Korean Biophysical Society Conference
    • /
    • 1996.07a
    • /
    • pp.21-21
    • /
    • 1996
  • The hyperthermostable protein, rubredoxin from Pyrococcus furiosus is 53-residue protein with a three-stranded anti-parallel $\beta$-sheet and several loops. To investigate the effect of changes of electrostatic and hydrophobic interactions on the structure and dynamic property of P. furiosus rubredoxin, molecular dynamics simulations in water were performed on three mesophilic rubredoxins, P, furiosus rubresoxin, and 5 mutants of P. furiosus rubredoxin. (omitted)

  • PDF

Regulation of the Phagocyte Respiratory Burst Oxidase by Protein Interactions

  • Lambeth, J. David
    • BMB Reports
    • /
    • v.33 no.6
    • /
    • pp.427-439
    • /
    • 2000
  • The activity of the phagocyte respiratory burst oxidase is regulated by complex and dynamic alterations in protein-protein interactions that result in the rapid assembly of an active multicomponent NADPH oxidase enzyme on the plasma membrane. While the enzymatic activity has been studied for the past 20 years, the past decade has seen remarkable progress in our understanding of the enzyme and its activation at the molecular level. This article describes the current state of knowledge, and proposes a model for the mechanism by which protein-protein interactions regulate enzyme activity in this system.

  • PDF

Leucine Zipper as a Fine Tuner for the DNA Binding; Revisited with Molecular Dynamics Simulation of the Fos-Jun bZIP Complex

  • 최용훈;양철학;김현원;정선호
    • Bulletin of the Korean Chemical Society
    • /
    • v.20 no.11
    • /
    • pp.1319-1322
    • /
    • 1999
  • Leucine zipper dynamically tunes the degree of bifurcation of the DNA binding segments in the basic region of the Fos-Jun bZIP complex. Molecular dynamics simulation indicated that site-specific mutagenesis of conserved leucine residues inside the leucine zipper domain caused the change of dynamic behavior of the basic region, and efficient DNA binding occurs only within a certain range of distance between the two DNA binding segments in the basic region. Distribution of α-helices in the hinge region is also suggested to influence the bifurcation of the DNA binding segments.

Determination of Molecular Weight and Molecular Weight Distribution of Polypropylene Using Rheological Properties (유변학적 물성을 이용한 폴리프로필렌의 분자량과 분자량 분포를 결정하는 방법)

  • Lee, Young Sil;Yoon, Kwan Han
    • Polymer(Korea)
    • /
    • v.38 no.6
    • /
    • pp.735-743
    • /
    • 2014
  • The rheological measurement of polypropylene (PP) has been performed using a rheometer, an intrinsic viscometer, and an MI machine to predict the molecular weight and the molecular weight distribution. Also, GPC has been used for the determination of the molecular structure. The distribution broadness parameter using modified Carreau model has been used to make the correlation between the rheological parameter and the molecular structure instead of the rheological PI (polydispersity index) which is determined from the cross of modulus from the dynamic oscillatory measurement. Even though the rheological PI is useful to determine the molecular weight distribution of the PP using controlled rheology, which has narrow and uniform molecular weight distribution, but not suitable to determine the molecular weight distribution of the PP made from direct polymerization which has broad and various molecular weight distribution. However the distribution broadness parameter which determined from the index of the shear thinning of the PP melt well predicts the molecular weight distribution of PP.

Overexpressed Derlin-1 Inhibits ER Expansion in the Endothelial Cells Derived from Human Hepatic Cavernous Hemangioma

  • Hu, Dong;Ran, Yu-Liang;Zhong, Xing;Hu, Hai;Yu, Long;Lou, Jin-Ning;Sun, Li-Xing;Yang, Zhi-Hua
    • BMB Reports
    • /
    • v.39 no.6
    • /
    • pp.677-685
    • /
    • 2006
  • Proteins that are unfolded or misfolded in the endoplasmic reticulum (ER) must be targeted for refolding or degradation to maintain the homeostasis of the ER. Derlin-1 was reportedly implicated in the retro-translocation of misfolded proteins from the ER to the cytosol for degradation. In this report, we showed that Derlin-1 was down-regulated in the endothelial cells derived from human hepatic cavernous hemangioma (CHEC) compared with other tested cells. Electron microscopy analysis showed that ER was aberrantly enlarged in CHEC cells, but not in other tested cells. When overexpressed, Derlin-1 induced the dilated ER to return normal size. This ER dynamic was associated with the activation of unfolded protein response (UPR). In CHEC cells where Derlin-1 was down-regulated, increased expression of the immunoglobulin heavy chain-binding protein (Bip) and UPR-specific splicing of X-box DNA-binding protein 1 (XBP1) mRNA were detected, as compared with that in other tested cells, indicating that UPR was activated. After Derlin-1 overexpression, the extent of UPR activation diminished, as evidenced by decreased expression of Bip, reduced amount of the spliced form of XBP1 ($XBP1_S$), and elevated expression of the unspliced form of XBP1 ($XBP1_U$). Taken together, these findings provide another example of a single protein being able to affect ER dynamic in mammalian cells, and an insight into the possible molecular mechanism(s).

Molecular Dynamics Study on Behaviors of Liquid Cluster with Shape and Temperature of Nano-Structure Substrate (나노구조기판의 형상 및 온도변화에 따른 액체 클러스터의 거동에 대한 분자동역학적 연구)

  • Ko, Sun-Mi;Jeong, Heung-Cheol;Shibahara, Masahiko;Choi, Gyung-Min;Kim, Duck-Jool
    • Journal of ILASS-Korea
    • /
    • v.13 no.1
    • /
    • pp.34-41
    • /
    • 2008
  • Molecular dynamic simulations have been carried out to study the effect of the nano-structure substrate and its temperature on cluster laminating. The interaction between substrate molecules and liquid molecules was modeled in the molecular scale and simulated by the molecular dynamics method in order to understand behaviors of the liquid cluster on nano-structure substrate. In the present model, the Lennard-Jones potential is applied to mono-atomic molecules of argon as liquid and platinum as nano-structure substrate to perform simulations of molecular dynamics. The effect of wettability on a substrate was investigated for the various beta of Lennard-Jones potential. The behavior of the liquid cluster and nano-structure substrate depends on interface wettability and function of molecules force, such as attraction and repulsion, in the collision progress. Furthermore, nano-structure substrate temperature and beta of Lennard-Jones potential have effect on the accumulation ratio. These results of simulation will be the foundation of coating application technology for micro fabrication manufacturing.

  • PDF

Backbone Resonance Assignment of a Proteolysis-Resistant Fragment in the Oxygen-Dependent Degradation Domain of the Hypoxia Inducible Factor 1α

  • Kim, Do-Hyoung;Lee, Si-Hyung;Chi, Seung-Wook;Nam, Ki Hoon;Han, Kyou-Hoon
    • Molecules and Cells
    • /
    • v.27 no.4
    • /
    • pp.493-496
    • /
    • 2009
  • Hypoxia-inducible factor $1{\alpha}$ ($HIF1{\alpha}$) is a transcription factor that plays a key role in the adaptation of cells to low oxygen stress and oxygen homeostasis. The oxygen-dependent degradation (ODD) domain of $HIF1{\alpha}$ responsible for the negative regulation of $HIF1{\alpha}$ in normoxia is intrinsically unfolded. Here, we carried out the backbone $^1H$, $^{15}N$, and $^{13}C$ resonance assignment of a proteolysis-resistant fragment (residues 404-477) in the $HIF1{\alpha}$ ODD domain using NMR spectroscopy. About 98% (344/352) of all the $^1HN$, $^{15}N$, $^{13}C{\alpha}$, $^{13}C{\beta}$, and $^{13}CO$ resonances were unambiguously assigned. The results will be useful for further investigation of the structural and dynamic states of the $HIF1{\alpha}$ ODD domain and its interaction with binding partners.

Adhesion Properties on the Molecular Weight and Various Substrates of Multi-layered Structural Acrylic Adhesive (다층구조형 아크릴 점착제의 분자량 및 피착재 종류에 따른 접착특성)

  • Kim, Dong-Bok
    • Polymer(Korea)
    • /
    • v.39 no.3
    • /
    • pp.514-521
    • /
    • 2015
  • In this study, we would like to describe peel strength and dynamic shear property on various substrates of multi-layered structural double-sided adhesive tape with or without adhesive (AD) prepared by UV curing for an automobile, construction, and display junction. According to adapt the adhesive, the peel and dynamic shear strength of adhesion tape prepared with acrylic foam or various plastic substrates increased with increasing molecular weight, however, decreased over 650000 molecular weight. The adhesion property shows high value at the thin AD layer with decreasing temperature. The interface property shows highest at MW 615000 (AD-4), and the interface junction below MW 615000 resulted to divide from acrylic foam and adhesive layer. From this study, the multi-layered structural double-sided adhesive tapes seem to be a useful for industrial area such as a low surface energy plastic material and curved substrate.