Inclusion compounds between α-, β-, y- and HP-β-cycodextrins with betamethasone : a theoretical and experimental study using phase solubility diagram and molecular mechanics

مقدم أطروحة جامعية

al-Anzi, Maram M.

مشرف أطروحة جامعية

Abd al-Suud, Khaldun

أعضاء اللجنة

Ghanim, Raid Ahmad
Ali, Basim Faris
al-Umari, Mahmud Mustafa

الجامعة

جامعة آل البيت

الكلية

كلية العلوم

القسم الأكاديمي

قسم الكيمياء

دولة الجامعة

الأردن

الدرجة العلمية

ماجستير

تاريخ الدرجة العلمية

2008

الملخص الإنجليزي

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.

التخصصات الرئيسية

الكيمياء

عدد الصفحات

85

قائمة المحتويات

• APA
• MLA
• AMA

لغة النص

الإنجليزية

نوع البيانات

رسائل جامعية

رقم السجل

BIM-311560