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39 ta ish

Ish: Modeling Plasma-Induced Modifications in Alginate Biopolymers at the Atomic Scale

  1. Molecular dynamics with coupling to an external bath

    Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren +2

    Maqola198434 iqtibos
    ABI

  2. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

    B. Hourahine, Bálint Aradi, Volker Blüm +36

    Maqola202014 iqtibos
    ABI

  3. Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

    Marcus Elstner, D. Porezag, G. Jungnickel +5

    Maqola199812 iqtibos
    ABI

  4. Non‐Thermal Plasma as a Unique Delivery System of Short‐Lived Reactive Oxygen and Nitrogen Species for Immunogenic Cell Death in Melanoma Cells

    Abraham Lin, Yury Gorbanev, Joey De Backer +7

    Maqola201911 iqtibos
    ABI

  5. Oxidative damage to hyaluronan–CD44 interactions as an underlying mechanism of action of oxidative stress-inducing cancer therapy

    Maksudbek Yusupov, Angela Privat‐Maldonado, Rodrigo M. Cordeiro +5

    MaqolaProteoglycans and glycosaminoglycans researchRedox Biology202110 iqtibos
    ABI

  6. Parameterization of the DFTB3 Method for Br, Ca, Cl, F, I, K, and Na in Organic and Biological Systems

    Maximilian Kubillus, Tomáš Kubař, Michael Gaus +2

    Maqola20149 iqtibos
    ABI

  7. Parameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications

    Michael Gaus, Xiya Lu, Marcus Elstner +1

    Maqola20149 iqtibos
    ABI

  8. Parametrization and Benchmark of DFTB3 for Organic Molecules

    Michael Gaus, Albrecht Goez, Marcus Elstner

    Maqola20128 iqtibos
    ABI

  9. Molecular understanding of the possible mechanisms of oligosaccharide oxidation by cold plasma

    Maksudbek Yusupov, Debbie Dewaele, Pankaj Attri +3

    MaqolaPlasma Applications and DiagnosticsPlasma Processes and Polymers20228 iqtibos
    ABI

  10. Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls

    Maksudbek Yusupov, Erik C. Neyts, Umedjon Khalilov +3

    Maqola20126 iqtibos
    ABI

  11. Plasma-Induced Destruction of Bacterial Cell Wall Components: A Reactive Molecular Dynamics Simulation

    Maksudbek Yusupov, Annemie Bogaerts, Stijn Huygh +3

    Maqola20136 iqtibos
    ABI

  12. The fate of plasma-generated oxygen atoms in aqueous solutions: non-equilibrium atmospheric pressure plasmas as an efficient source of atomic O<sub>(aq)</sub>

    Jan Benedikt, Mohamed Mokhtar Hefny, Alexander Shaw +4

    Maqola20186 iqtibos
    ABI

  13. Reactive Molecular Dynamics Simulations for a Better Insight in Plasma Medicine

    Annemie Bogaerts, Maksudbek Yusupov, Jonas Van der Paal +2

    Maqola20145 iqtibos
    ABI

  14. Inactivation of the Endotoxic Biomolecule Lipid A by Oxygen Plasma Species: A Reactive Molecular Dynamics Study

    Maksudbek Yusupov, Erik C. Neyts, Christof Verlackt +3

    Maqola20145 iqtibos
    ABI

  15. Does non-thermal plasma modify biopolymers in solution? A chemical and mechanistic study for alginate

    Francesco Tampieri, Albert Espona‐Noguera, Cédric Labay +4

    MaqolaPlasma Applications and DiagnosticsBiomaterials Science20234 iqtibos
    ABI

  16. Periodate oxidized hyaluronic acid-based hydrogel scaffolds for tissue engineering applications

    Ashiq Hussain Pandit, Nasreen Mazumdar, Sharif Ahmad

    Sharh maqola20194 iqtibos
    ABI

  17. Current State of Cold Atmospheric Plasma and Cancer‐Immunity Cycle: Therapeutic Relevance and Overcoming Clinical Limitations Using Hydrogels

    Milica Živanić, Albert Espona‐Noguera, Abraham Lin +1

    Sharh maqola20234 iqtibos
    ABI

  18. Atmospheric plasma generates oxygen atoms as oxidizing species in aqueous solutions

    Mohamed Mokhtar Hefny, Cédric Pattyn, Petr Lukeš +1

    Maqola20163 iqtibos
    ABI

  19. A ReaxFF-based molecular dynamics study of the mechanisms of interactions between reactive oxygen plasma species and the <i>Candida albicans</i> cell wall

    Tong Zhao, L. Shi, Yuetong Zhang +2

    Maqola20173 iqtibos
    ABI

  20. Molecular dynamics simulation of <i>S. cerevisiae</i> glucan destruction by plasma ROS based on ReaxFF

    Jingxian Cui, Tong Zhao, Liang Zou +2

    Maqola20183 iqtibos
    ABI

  21. <scp>d</scp>-Glucose Oxidation by Cold Atmospheric Plasma-Induced Reactive Species

    Mohsen Ahmadi, Zahra Nasri, Thomas von Woedtke +1

    Maqola20223 iqtibos
    ABI

  22. Effects of atmospheric cold plasma and ozone on prebiotic orange juice

    Francisca Diva Lima Almeida, Rosane Souza Cavalcante, Patrick J. Cullen +4

    Maqola20152 iqtibos
    ABI

  23. How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations

    N. Khosravian, Annemie Bogaerts, Stijn Huygh +2

    Maqola20142 iqtibos
    ABI

  24. Decomposition of sugars under non-thermal dielectric barrier discharge plasma

    Yingying Li, Gary Friedman, Alex Fridman +1

    Maqola20142 iqtibos
    ABI

  25. The Effects of Plasma Irradiation on Saccharides

    Donald M. Soignet, Oscar Hinojosa, T. L. Ward +1

    Maqola19822 iqtibos
    ABI