Journal ArticleDOI
Molecular dynamics simulations of the transport of reactive oxygen species by mammalian and plant aquaporins.
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Simulation results may improve the understanding of redox signaling mechanisms and help in the interpretation of protein oxidative labeling experiments.About:
This article is published in Biochimica et Biophysica Acta.The article was published on 2015-09-01. It has received 39 citations till now. The article focuses on the topics: Water transport & Reactive oxygen species.read more
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Nanopriming technology for enhancing germination and starch metabolism of aged rice seeds using phytosynthesized silver nanoparticles
TL;DR: Different mechanisms underlying nanopriming-induced seed germination were proposed, including creation of nanopores for enhanced water uptake, rebooting ROS/antioxidant systems in seeds, generation of hydroxyl radicals for cell wall loosening, and nanocatalyst for fastening starch hydrolysis.
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The Interplay of Reactive Oxygen Species, Hypoxia, Inflammation, and Sirtuins in Cancer Initiation and Progression.
Marco Tafani,Luigi Sansone,Federica Limana,Tania Arcangeli,Elena De Santis,Milena Polese,Massimo Fini,Matteo Antonio Russo +7 more
TL;DR: The attention will be focused on the contribution of ROS to the signaling of HIF, NFκB, and Sirtuins as a leitmotif of cancer initiation and progression.
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Aquaporins facilitate hydrogen peroxide entry into guard cells to mediate ABA- and pathogen-triggered stomatal closure.
Olivier Rodrigues,Ganna Reshetnyak,Alexandre Grondin,Yusuke Saijo,Nathalie Leonhardt,Christophe Maurel,Lionel Verdoucq +6 more
TL;DR: A mechanism whereby phosphorylation of AtPIP2;1 Ser121 by BAK1 and/or OST1 is triggered in response to flg22 to activate its water and H2O2 transport activities is proposed and suggests a general signaling role of aquaporin in contexts involving H 2O2.
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Aquaporin-9 facilitates membrane transport of hydrogen peroxide in mammalian cells.
TL;DR: It is shown that AQP9 facilitates the membrane transport of H2O2 in human and mice cells, and H 2O2-induced cytotoxicity was attenuated by AQP 9 deficiency in humanand mice cells.
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Aquaporin-5: from structure to function and dysfunction in cancer
TL;DR: The structural and functional features of AQP5 are addressed, detailing its tissue distribution and functions in human body, its expression pattern in a variety of tumors, and highlighting the underlying mechanisms involved in carcinogenesis.
References
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VMD: Visual molecular dynamics
TL;DR: VMD is a molecular graphics program designed for the display and analysis of molecular assemblies, in particular biopolymers such as proteins and nucleic acids, which can simultaneously display any number of structures using a wide variety of rendering styles and coloring methods.
Book
Computer Simulation of Liquids
Michael P. Allen,D. J. Tildesley +1 more
TL;DR: In this paper, the gear predictor -corrector is used to calculate forces and torques in a non-equilibrium molecular dynamics simulation using Monte Carlo methods. But it is not suitable for the gear prediction problem.
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GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
TL;DR: A new implementation of the molecular simulation toolkit GROMACS is presented which now both achieves extremely high performance on single processors from algorithmic optimizations and hand-coded routines and simultaneously scales very well on parallel machines.
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GROMACS: Fast, flexible, and free
David van der Spoel,Erik Lindahl,Berk Hess,Gerrit Groenhof,Alan E. Mark,Herman J. C. Berendsen +5 more
TL;DR: The software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the early 1990s is described, which is a very fast program for molecular dynamics simulation.
Journal ArticleDOI
Critical Review of rate constants for reactions of hydrated electrons, hydrogen atoms and hydroxyl radicals (⋅OH/⋅O− in Aqueous Solution
TL;DR: In this article, the rate constants for over 3500 reaction are tabulated, including reaction with molecules, ions and other radicals derived from inorganic and organic solutes, and the corresponding radical anions, ⋅O− and eaq−, have been critically pulse radiolysis, flash photolysis and other methods.