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66 ta ish

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

  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. 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

  5. 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

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

    Michael Gaus, Xiya Lu, Marcus Elstner +1

    Maqola20149 iqtibos
    ABI

  7. Applied Plasma Medicine

    Gregory Fridman, Gary Friedman, Alexànder Gutsol +3

    Maqola20088 iqtibos
    ABI

  8. Parametrization and Benchmark of DFTB3 for Organic Molecules

    Michael Gaus, Albrecht Goez, Marcus Elstner

    Maqola20128 iqtibos
    ABI

  9. DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method

    Bálint Aradi, B. Hourahine, Thomas Frauenheim

    Maqola20078 iqtibos
    ABI

  10. 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

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

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

    Maqola20126 iqtibos
    ABI

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

    Maksudbek Yusupov, Annemie Bogaerts, Stijn Huygh +3

    Maqola20136 iqtibos
    ABI

  13. 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

  14. Plasmas for medicine

    Thomas von Woedtke, Stephan Reuter, Kai Masur +1

    Maqola20133 iqtibos
    ABI

  15. Synergistic Effect of H2O2 and NO2 in Cell Death Induced by Cold Atmospheric He Plasma

    Pierre‐Marie Girard, Atousa Arbabian, Michel Fleury +4

    Maqola20163 iqtibos
    ABI

  16. Reactive species driven oxidative modifications of peptides—Tracing physical plasma liquid chemistry

    Sebastian Wenske, Jan‐Wilm Lackmann, Larissa M. Busch +3

    Maqola20213 iqtibos
    ABI

  17. Reactive Molecular Dynamics Simulation of Fullerene Combustion Synthesis: ReaxFF vs DFTB Potentials

    Hu‐Jun Qian, Adri C. T. van Duin, Keiji Morokuma +1

    Maqola20113 iqtibos
    ABI

  18. An approximate DFT method for QM/MM simulations of biological structures and processes

    Marcus Elstner, Thomas Frauenheim, Sándor Suhai

    Maqola20033 iqtibos
    ABI

  19. Chemical and antibacterial effects of plasma activated water: correlation with gaseous and aqueous reactive oxygen and nitrogen species, plasma sources and air flow conditions

    Zdenko Machala, Barbora Tarabová, Dominika Sersenová +2

    Maqola20183 iqtibos
    ABI

  20. The 2022 Plasma Roadmap: low temperature plasma science and technology

    Igor Adamovich, Sumit Agarwal, Eduardo Ahedo +38

    Maqola20223 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. Non‐Thermal Plasma in Contact with Water: The Origin of Species

    Yury Gorbanev, Deborah O’Connell, Victor Chechik

    Maqola20162 iqtibos
    ABI

  23. Non-thermal atmospheric pressure plasma activates lactate in Ringer’s solution for anti-tumor effects

    Hiromasa Tanaka, Kae Nakamura, Masaaki Mizuno +6

    Maqola20162 iqtibos
    ABI

  24. Measuring plasma-generated <sup>·</sup> OH and O atoms in liquid using EPR spectroscopy and the non-selectivity of the HTA assay

    Brayden Myers, Pietro Ranieri, Tatyana I. Smirnova +5

    Maqola20212 iqtibos
    ABI

  25. Biological interactions between polysaccharides and divalent cations: The egg‐box model

    Gregor T. Grant, Edwin R. Morris, David A. Rees +2

    Maqola19732 iqtibos
    ABI