• Title/Summary/Keyword: molecular mechanism

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Relation between Conformational Properties and Yield Behavior of Isotactic Polypropylene under Extension by an Atomistic Modeling Approach

  • Yang, Sung-Hoon;Yang, Jae-Shick;Jo, Won-Ho
    • Macromolecular Research
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    • v.8 no.5
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    • pp.224-230
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    • 2000
  • Molecular mechanics technique has been used for finding energy-minimized conformation to understand the mechanism of yielding of glassy polymers in atomistic level. As a model polymer, amor- phous isotactic polypropylene (iPP) was generated by molecular mechanics and molecular dynamics methods. The stress-strain cone was successfully obtained by using molecular mechanics technique. The torsional angle distribution showed no significant change during extension, although the torsional angles of certain bonds in polymer backbone changed more largely than other bonds. No significant change in the van der Waals interaction is observed at yielding point, whereas the torsional angle energy starts to decrease at yield strain.

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Function of Multimeric MADS Protein Complexes in Floral Organ Development of Plant

  • Park, Ji-Im;Moon, Yong-Hwan
    • Journal of Photoscience
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    • v.12 no.3
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    • pp.163-169
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    • 2005
  • Recent reports suggest that floral organs such as sepals, petals, stamens, and carpels are specified by quaternary MADS protein complexes with different combinations. The formation of quaternary complexes of ABCDE MADS proteins may be the molecular basis of ABCDE model for the floral organ development. The MADS complexes involved in each floral organ development seem to be conserved in at least dicot species although detailed molecular mechanism is slightly different depending on species. Even in monocot, at least rice, MADS complexes similar to those in dicot exist, suggesting that the floral organ specification by MADS protein complexes may be conserved in most of plants. The MADS protein complexes may have more specific recognition of target genes or more transcription activation ability than monomers or dimers, resulting in finely regulated floral organ development.

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Innate immune response in insects: recognition of bacterial peptidoglycan and amplification of its recognition signal

  • Kim, Chan-Hee;Park, Ji-Won;Ha, Nam-Chul;Kang, Hee-Jung;Lee, Bok-Luel
    • BMB Reports
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    • v.41 no.2
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    • pp.93-101
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    • 2008
  • The major cell wall components of bacteria are lipopolysaccharide, peptidoglycan, and teichoic acid. These molecules are known to trigger strong innate immune responses in the host. The molecular mechanisms by which the host recognizes the peptidoglycan of Gram-positive bacteria and amplifies this peptidoglycan recognition signals to mount an immune response remain largely unclear. Recent, elegant genetic and biochemical studies are revealing details of the molecular recognition mechanism and the signalling pathways triggered by bacterial peptidoglycan. Here we review recent progress in elucidating the molecular details of peptidoglycan recognition and its signalling pathways in insects. We also attempt to evaluate the importance of this issue for understanding innate immunity.

Protein Phosphatases Involved in Regulating Mitosis: Facts and Hypotheses

  • Kim, Hyun-Soo;Fernandes, Gary;Lee, Chang-Woo
    • Molecules and Cells
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    • v.39 no.9
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    • pp.654-662
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    • 2016
  • Almost all eukaryotic proteins are subject to post-translational modifications during mitosis and cell cycle, and in particular, reversible phosphorylation being a key event. The recent use of high-throughput experimental analyses has revealed that more than 70% of all eukaryotic proteins are regulated by phosphorylation; however, the mechanism of dephosphorylation, counteracting phosphorylation, is relatively unknown. Recent discoveries have shown that many of the protein phosphatases are involved in the temporal and spatial control of mitotic events, such as mitotic entry, mitotic spindle assembly, chromosome architecture changes and cohesion, and mitotic exit. This implies that certain phosphatases are tightly regulated for timely dephosphorylation of key mitotic phosphoproteins and are essential for control of various mitotic processes. This review describes the physiological and pathological roles of mitotic phosphatases, as well as the versatile role of various protein phosphatases in several mitotic events.

Molecular Dynamics Simulation Studies of the Effects of the Protonation State of Chitosan in Interactions with Bacterial Membranes (키토산의 양성자화가 세균막과의 상호작용에 미치는 효과 연구)

  • Truong, Gia Khuong;Yi, Myunggi
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.49 no.6
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    • pp.815-822
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    • 2016
  • The cationic biopolymer chitosan has several applications in medicine. Chitosan is the deacetylated derivative of chitin, the second most abundant naturally occurring polymer. Recent studies have investigated the relationship between chitosan and antibacterial activity. However, the molecular interactions and mechanisms have not been detailed. This study used molecular dynamics simulations to study interactions between chitosan and anionic bacterial membranes (POPE-POPG) and electrically neutral non-bacterial membranes (POPC). We calculated the free energy using umbrella sampling to compare the interactions between membranes and chitosan in different protonation states. Fully protonated chitosan interacted most strongly with the bacterial membranes, but weakly with non-bacterial membranes. These results suggest that electrostatic interactions are the main mechanism of the antibacterial activity of chitosan, and they provide insights into the design of novel antibacterial and antimicrobial agents.

A Method for Determining Molecular Weights of Block Copolymers by Gel Permeation Chromatography

  • Sohn, Jeong-In;Ree, Tai-Kyue
    • Bulletin of the Korean Chemical Society
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    • v.5 no.4
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    • pp.140-145
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    • 1984
  • A theory is given for determining the molecular weights of block copolymers from the experimental elution volume in GPC. Interaction effect between a sample of block copolymer and a column packing material as well as the size effect are separately considered for the first time applying the partial exclusion mechanism proposed by Dawkins. The molecular weight determination shows 6${\%}$ standard-deviation from the molecular weights measured by an osmometric method for eight block copolymers, which is much more improved result than other methods, e.g., the universal plot method (13 ${\%}$) and the Runyon's method (12 ${\%}$). The reason which explains the better result is that our theory takes into account the interaction effect correctly.

Clinical features and molecular mechanism of muscle wasting in end stage renal disease

  • Sang Hyeon Ju;Hyon-Seung Yi
    • BMB Reports
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    • v.56 no.8
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    • pp.426-438
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    • 2023
  • Muscle wasting in end-stage renal disease (ESRD) is an escalating issue due to the increasing global prevalence of ESRD and its significant clinical impact, including a close association with elevated mortality risk. The phenomenon of muscle wasting in ESRD, which exceeds the rate of muscle loss observed in the normal aging process, arises from multifactorial processes. This review paper aims to provide a comprehensive understanding of muscle wasting in ESRD, covering its epidemiology, underlying molecular mechanisms, and current and emerging therapeutic interventions. It delves into the assessment techniques for muscle mass and function, before exploring the intricate metabolic and molecular pathways that lead to muscle atrophy in ESRD patients. We further discuss various strategies to mitigate muscle wasting, including nutritional, pharmacological, exercise, and physical modalities intervention. This review seeks to provide a solid foundation for future research in this area, fostering a deeper understanding of muscle wasting in ESRD, and paving the way for the development of novel strategies to improve patient outcomes.

A Study on the Microcutting for Configuration of Tools using Molecular Dynamics (분자동역학을 이용한 공구형상에 따른 미소절삭현상에 관한 연구)

  • Moon, Chan-Hong;Kim, Jeong-Du
    • Journal of the Korean Society for Precision Engineering
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    • v.12 no.4
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    • pp.135-142
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    • 1995
  • Recently, the analysis of microcutting with submicrometer depth of cut is tried to get a more high quality surface product, but to get a valuable result another method instead of conventional finite element method must be considered because finite element method is impossible for a very small focused region and mesh size. As the alternative method, Molecular Dynamics or Statics is suggested and accepted in the field of microcutting, indentation and crack propagation. In this paper using Molecular Dynamics simulation, the phenomena of microcutting with subnanometer chip thickness is studied and the cutting mechanism for tool edge configuration is evaluated. As the result of simulation the atomistic chip formation is achieved.

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Some aspects of scintillation mechanism in organic molecular dielectrics

  • Galunov, N.Z.;Grinev, B.V.;Tarasenko, O.A.;Martynenko, E.V.
    • Journal of Radiation Protection and Research
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    • v.30 no.2
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    • pp.85-89
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    • 2005
  • Aspects of the scintillation mechanism in organic systems obtained on the base of precise measurements of the radioluminescence pulse shape are discussed. It shown that the process of scintillation light pulse formation is mainly determined by initial conditions of exited states generation.

Positron Annihilation Lifetime Spectroscopic Analysis to Demonstrate Flux-Enhancement Mechanism of Aromatic Polyamide Reverse Osmosis Membranes (양전자 소멸시간 분광분석을 통한 방향족 폴리아미드 역삼투 분리막의 수투과 향상 메커니즘 제시)

  • Kim, Sung-Ho;Kwak, Seung-Yeop
    • Proceedings of the Membrane Society of Korea Conference
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    • 2004.05b
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    • pp.82-85
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    • 2004
  • Flux-enhancement mechanism of thin-film-composite (TFC) membranes for the reverse comosis (RO) process was newly explained by positron annihilation lifetime spectroscopy (PALS) that has been found to be applied for detecting molecular vacancies or pores having sizes that are equivalent to salt or hydrate ions in RO membrane.(omitted)

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