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DFT-Studie zu Chelatbildnern zur Behandlung von Eisenüberladung

DFT-Studie zu Chelatbildnern zur Behandlung von Eisenüberladung


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About the Book

In der pharmazeutischen Industrie ist die Bestimmung der chemischen Stabilität von Metallionen-Wirkstoffen, die ein Indikator für die physikalisch-chemischen Eigenschaften ist, sehr wichtig. Der klinische Einsatz experimenteller Chelatbildner erfordert eine umfangreiche präklinische pharmakologische und toxikologische Bewertung in mehreren Tiermodellen, die allesamt mit höheren Kosten verbunden sind. Daher können theoretische Berechnungen vor den experimentellen Studien sinnvoll sein und Zeit und Kosten sparen. In den letzten Jahren hat sich die computergestützte Chemie als ein sehr leistungsfähiges Instrument für das Design und die Entwicklung neuer Chelatbildner zur Entfernung von Fe3+-Metallionen erwiesen. Die quantenmechanischen (QM) Methoden umfassen die Berechnung der freien Bindungsenergien von Fe3+-Chelatbildnerkomplexen in Lösung und ermöglichen einen Vergleich der Affinität und Selektivität von Chelatbildnern gegenüber Fe3+. Unter diesen Methoden bieten Dichtefunktionalmethoden (DFT) eine sehr genaue Methode zur Untersuchung solcher Systeme. In diesem Buch werden die jüngsten Entwicklungen bei der Anwendung von DFT-Methoden zur Untersuchung der Wechselwirkungen zwischen Fe3+ und Hydroxypyridinon-Derivaten als Chelatbildner für die Behandlung von Eisenüberladungskrankheiten diskutiert.


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Product Details
  • ISBN-13: 9786208037338
  • Publisher: KS Omniscriptum Publishing
  • Binding: Paperback
  • Language: German
  • Returnable: N
  • Weight: 91 gr
  • ISBN-10: 6208037336
  • Publisher Date: 31 Aug 2024
  • Height: 229 mm
  • No of Pages: 52
  • Spine Width: 3 mm
  • Width: 152 mm


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DFT-Studie zu Chelatbildnern zur Behandlung von Eisenüberladung
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DFT-Studie zu Chelatbildnern zur Behandlung von Eisenüberladung
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