Molecular dynamics, density functional theory and semi-empirical investigations about interactions of dobutamine and F127/lignin microemulsions

Dobutamine (Dobu) is a helpful inotropic agent for the short-term control of heart failure. F127 is a useful copolymer (PEO(100)–PPO(65)–PEO(100)) with low toxicity that is used for encapsulation of drugs. Also, Lignin is a class of complex organic polymers that form fundamental structural materials...

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Hauptverfasser:	Pouya Karimi, Abbas Rahdar, Francesco Baino, Mahdiye Poorsargol
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	Elsevier 2026-01-01
Schriftenreihe:	Next Materials
Schlagworte:	Dobutamine MD simulation Pluronic F127 Lignin Microemulsion
Online-Zugang:	http://www.sciencedirect.com/science/article/pii/S2949822825009785
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