Organic Nucleation: Water Rearrangement Reveals the Pathway of Ibuprofen

The organic nucleation of the pharmaceutical ibuprofen is investigated, as triggered by the protonation of ibuprofen sodium salt at elevated pH. The growth and aggregation of nanoscale solution species by Analytical Ultracentrifugation and Molecular Dynamics (MD) simulations is tracked. Both approac...

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Veröffentlicht in:	Small (Weinheim an der Bergstrasse, Germany) Germany), 2024-06, Vol.20 (25), p.e2307858-n/a
Hauptverfasser:	Lu, Hao, Macht, Moritz, Rosenberg, Rose, Wiedenbeck, Eduard, Lukas, Max, Qi, Daizong, Maltseva, Daria, Zahn, Dirk, Cölfen, Helmut, Bonn, Mischa
Format:	Artikel
Sprache:	eng
Schlagworte:	Aqueous environments Hydrophobic and Hydrophilic Interactions Hydrophobicity Ibuprofen Ibuprofen - chemistry Molecular dynamics Molecular Dynamics Simulation nonclassical nucleation Nonsteroidal anti-inflammatory drugs Nucleation organic nucleation prenucleation cluster Protonation Sodium salts sum frequency generation spectroscopy Water - chemistry water at interface
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