Inclusion compounds between α-, β-, y- and HP-β-cycodextrins with betamethasone : a theoretical and experimental study using phase solubility diagram and molecular mechanics
Dissertant
Thesis advisor
Comitee Members
Ghanim, Raid Ahmad
Ali, Basim Faris
al-Umari, Mahmud Mustafa
University
Al albayt University
Faculty
Faculty of Sciences
Department
Department of Chemistry
University Country
Jordan
Degree
Master
Degree Date
2008
English Abstract
The objectives of this work are to study the interaction of [3-methasone with different types of CDs (a-,p-,y-,and HP-|3-CD).
Different techniques were used in this investigation including phase solubility diagram (PSD), differential scanning calorimetry, scanning election microscope (SFM) and molecular modeling. The PSD results indicated that the tendency of |3-methasone to bind with CDs follows the order y-CD< a-CD < HP-p-CD < p-CD.
This proved that size fit plays on important role in inclusion complexation.
The driving force of the (3-methasone / CDs complexation is the enthalpy, while it is related by entropy changes.
The negative entropy change by indicated that conformational changes is the dominate rather than the relese of water solubility for the CD cavity and those form an ice-burg structure around the drug. Molecular mechanics (MM+) study revevled that the dominate driving force of inclusion complexation of the electrostatic energy.
The binding energies of both approach indication possible isomeric complex formation.
The different scanning calorimetry (DSC) and scanning electron microscope (SEM) proved the formation of inclusion complex in solid state. The study showed that formation of complexes between P-methasone and CD is driven by enthalpic factors.
Formation of complexes is favorable, calculation and simulation computer program approved that (Hyperchem®). Complex AH° (KJ/mol) AS° (J/molK) AG° (KJ/mol) K„ (dm^ol"1) P-meth/p-CD -44.67 -89.23 -18.07 1350.70 The solubility of P-methasone increased by complexation on all temperatures study. By the molecular modeling the more stable structures and the inclusion process for P-methasone /CD's inclusion complexes were studied by molecular mechanics, amber force field because it need a less time . The nonbonding van der Waals interactions are responsible for the stability of P-methasone/CD's complexes.
Main Subjects
No. of Pages
85
Table of Contents
Table of contents.
Abstract.
Chapter One : introduction.
Chapter Two : theoretical background.
Chapter Three : experimental.
Chapter four : results and discussion.
References.
Chapter five: References.
American Psychological Association (APA)
al-Anzi, Maram M.. (2008). Inclusion compounds between α-, β-, y- and HP-β-cycodextrins with betamethasone : a theoretical and experimental study using phase solubility diagram and molecular mechanics. (Master's theses Theses and Dissertations Master). Al albayt University, Jordan
https://search.emarefa.net/detail/BIM-311560
Modern Language Association (MLA)
al-Anzi, Maram M.. Inclusion compounds between α-, β-, y- and HP-β-cycodextrins with betamethasone : a theoretical and experimental study using phase solubility diagram and molecular mechanics. (Master's theses Theses and Dissertations Master). Al albayt University. (2008).
https://search.emarefa.net/detail/BIM-311560
American Medical Association (AMA)
al-Anzi, Maram M.. (2008). Inclusion compounds between α-, β-, y- and HP-β-cycodextrins with betamethasone : a theoretical and experimental study using phase solubility diagram and molecular mechanics. (Master's theses Theses and Dissertations Master). Al albayt University, Jordan
https://search.emarefa.net/detail/BIM-311560
Language
English
Data Type
Arab Theses
Record ID
BIM-311560
