Spektroskopische und drogenfreie Eigenschaften einer neuen Sulfonamid-Verbindung
Spektroskopische und drogenfreie Eigenschaften einer neuen Sulfonamid-Verbindung

Spektroskopische und drogenfreie Eigenschaften einer neuen Sulfonamid-Verbindung


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About the Book

Sulfonamide sind eine bekannte pharmakologische Familie, die aufgrund ihrer allgemeinen Stabilität, Bioverfügbarkeit und einfachen Herstellung in der Human- und Tiermedizin in großem Umfang eingesetzt wird. In dieser Studie wurden zunächst die strukturellen Parameter der 4-((6,7-Dihydroxy-2-oxo-2H-chromen-4-yl) methylamino) Benzolsulfonamid-Verbindung durch Optimierungsberechnungen bestimmt. Dann wurden die spektroskopischen Eigenschaften wie FT-IR, 1H-NMR und 13C-NMR theoretisch analysiert. Schließlich wurden die HOMO-LUMO-Molekülorbitalenergien, die nichtlinearen optischen Eigenschaften (NLO) und die molekulare potentielle Energieoberfläche (MEP) der Verbindung berechnet und die ADME-Studie durchgeführt, um festzustellen, ob sie Arzneimitteleigenschaften aufweist. Als Ergebnis wurde festgestellt, dass die experimentellen spektroskopischen Werte und die Berechnungsergebnisse miteinander kompatibel waren. Mit NLO- und ADME-Studien wurde festgestellt, dass das untersuchte Molekül eine nichtlineare optische Aktivität und Arzneimitteleigenschaften aufweist. Die Berechnungen wurden mit der DFT/B3LYP-Methode und unter Verwendung des 6-311++ g (d, p)-Basissatzes durchgeführt.


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Product Details
  • ISBN-13: 9786206219040
  • Publisher: KS Omniscriptum Publishing
  • Binding: Paperback
  • Language: German
  • Returnable: N
  • Weight: 154 gr
  • ISBN-10: 6206219046
  • Publisher Date: 07 Jul 2023
  • Height: 229 mm
  • No of Pages: 64
  • Spine Width: 4 mm
  • Width: 152 mm


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Spektroskopische und drogenfreie Eigenschaften einer neuen Sulfonamid-Verbindung
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Spektroskopische und drogenfreie Eigenschaften einer neuen Sulfonamid-Verbindung
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