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  2. Dataset for the publication "Monte Carlo simulation of the ionization and uptake behavior of cationic oligomers into pH-responsive polyelectrolyte microgels of opposite charge - a model for oligopeptide uptake and release"
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    Datenpaket: Dataset for the publication "Monte Carlo simulation of the ionization and uptake behavior of cationic oligomers into pH-responsive polyelectrolyte microgels of opposite charge - a model for oligopeptide uptake and release"

    Alternativer Identifier:
    -
    Verwandter Identifier:
    (Is Supplement To) 10.1039/D3SM01426F - DOI
    Ersteller/in:
    Strauch, Christian https://orcid.org/0000-0001-9895-3552 [Institut für Physikalische Chemie, RWTH Aachen University]

    Schneider, Stefanie https://orcid.org/0000-0002-4399-0388 [Institut für Physikalische Chemie, RWTH Aachen University]
    Beitragende:
    -
    Titel:
    Dataset for the publication "Monte Carlo simulation of the ionization and uptake behavior of cationic oligomers into pH-responsive polyelectrolyte microgels of opposite charge - a model for oligopeptide uptake and release"
    Weitere Titel:
    -
    Beschreibung:
    (Abstract) In this work, we modeled the uptake of cationic oligomers in anionic pH-responsive networks. We varied the pK-values for the monomers in the network and the monomers in the oligomers. Further, we varied the influence of concentration and oligomer length. Besides the uptake, we investigated the ioniz...
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    (Method) Metropolis Monte Carlo simulations
    (Technical Info) Software for creating plots: Gnuplot, software for visualization: VMD, software for simulation (Molsim, write an e-mail to authors for access to the code), software for starting simulations (write an e-mail to authors for access to the code), all simulations were carried out on High Performance Clus...
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    Schlagworte:
    microgels, oligomers, oligopeptide, pH-responsive, constant-pH
    Zugehörige Informationen:
    -
    Sprache:
    Englisch
    Herausgeber/in:
    IPC - RWTH Aachen University
    Erstellungsjahr:
    Fachgebiet:
    Chemistry
    Objekttyp:
    Dataset
    Datenquelle:
    (Instrument)
    Verwendete Software:
    Software für Datenerhebung
    Software:
    Molsim - 6.4.7
    Alternative Software:
    -
    Verwendete Software:
    Software für Datenerhebung
    Software:
    simlab - 1.0
    Alternative Software:
    -
    Verwendete Software:
    Software für Datenbetrachtung
    Software:
    Gnuplot - 5.2
    Alternative Software:
    -
    Verwendete Software:
    Software für Datenbetrachtung
    Software:
    VMD - 1.9.3
    Alternative Software:
    -
    Datenverarbeitung:
    -
    Erscheinungsjahr:
    Rechteinhaber/in:
    Förderung:
    Deutsche Forschungsgemeinschaft - (SFB 985: Functional Microgels and Microgel Systems) 191948804
    Name Speichervolumen Metadaten Upload Aktion
    Status:
    Publiziert
    Eingestellt von:
    CStrauch
    Erstellt am:
    Archivierungsdatum:
    2024-06-05
    Archivgröße:
    6,9 MB
    Archiversteller:
    nicoleparks
    Archiv-Prüfsumme:
    3c4424448fa5496af47ab9e1e70174f0 (MD5)
    Embargo-Zeitraum:
    -