scholarly journals Physicochemical Analysis and Molecular Modeling of the Fosinoprilβ-Cyclodextrin Inclusion Complex

2014 ◽  
Vol 2014 ◽  
pp. 1-14 ◽  
Author(s):  
Lucreția Udrescu ◽  
Laura Sbârcea ◽  
Adriana Fuliaș ◽  
Ionuț Ledeți ◽  
Gabriela Vlase ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Solid State ◽  
Inclusion Complex ◽  
Physicochemical Analysis ◽  
Variation Method ◽  
X Ray ◽  
Cyclodextrin Inclusion ◽  
Kneading Method ◽  
Modeling Techniques ◽  
Complexation Mechanism

This research investigates the interaction between fosinopril sodium (FOS) and beta-cyclodextrin (β-CD) in aqueous solution and in solid state, in order to prove the formation of an inclusion complex between the two components. The stoichiometry of the inclusion complex was found as 1 : 1 by employing continuous variation method in UV. The formation constant was calculated as 278.93 M−1using Benesi-Hildebrand equation. The kneaded product (KP) and the physical mixture (PM) were further experimentally examined, using FTIR, powder X-ray diffractometry, and thermal analysis. The results confirm that the physicochemical properties of the FOS/β-CD KP are different from FOS and that the kneading method leads to formation of solid state inclusion complex between FOS andβ-CD. Structural studies of the FOS/β-CD were carried out using molecular modeling techniques, in order to explain the complexation mechanism and the host-guest geometry.

scholarly journals Comprehensive Characterisation of the Ketoprofen-β-Cyclodextrin Inclusion Complex Using X-ray Techniques and NMR Spectroscopy

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 4089
Author(s):  
Katarzyna Betlejewska-Kielak ◽  
Elżbieta Bednarek ◽  
Armand Budzianowski ◽  
Katarzyna Michalska ◽  
Jan K. Maurin
Keyword(s):  
Nmr Spectroscopy ◽  
Inclusion Complex ◽  
Crystal And Molecular Structure ◽  
Binding Constants ◽  
Nmr Studies ◽  
X Ray ◽  
Cyclodextrin Inclusion ◽  
Powder Samples ◽  
Cyclodextrin Inclusion Complex ◽  
Co Precipitation

Racemic ketoprofen (KP) and β-cyclodextrin (β-CD) powder samples from co-precipitation (1), evaporation (2), and heating-under-reflux (3) were analysed using X-ray techniques and nuclear magnetic resonance (NMR) spectroscopy. On the basis of NMR studies carried out in an aqueous solution, it was found that in the samples obtained by methods 1 and 2, there were large excesses of β-CD in relation to KP, 10 and 75 times, respectively, while the sample obtained by method 3 contained equimolar amounts of β-CD and KP. NMR results indicated that KP/β-CD inclusion complexes were formed and the estimated binding constants were approximately 2400 M−1, showing that KP is quite strongly associated with β-CD. On the other hand, the X-ray single-crystal technique in the solid state revealed that the (S)-KP/β-CD inclusion complex with a stoichiometry of 2:2 was obtained as a result of heating-under-reflux, for which the crystal and molecular structure were examined. Among the methods used for the preparation of the KP/β-CD complex, only method 3 is suitable.

Solid-state characterization of sertraline base–β-cyclodextrin inclusion complex

2015 ◽  
Vol 107 ◽  
pp. 265-272 ◽  
Author(s):  
Noriko Ogawa ◽  
Takuro Hashimoto ◽  
Takayuki Furuishi ◽  
Hiromasa Nagase ◽  
Tomohiro Endo ◽  
...  
Keyword(s):  
Solid State ◽  
Inclusion Complex ◽  
Cyclodextrin Inclusion ◽  
Cyclodextrin Inclusion Complex ◽  
Solid State Characterization

ChemInform Abstract: Determining the Crystal Structures of Organic Solids Using X-ray Powder Diffraction Together with Molecular and Solid State Modeling Techniques

ChemInform ◽  
2010 ◽  
Vol 32 (35) ◽  
pp. no-no
Author(s):  
R. B. Hammond ◽  
M. J. Jones ◽  
S. A. Murphy ◽  
K. J. Roberts ◽  
E. D. L. Smith ◽  
...  
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Organic Solids ◽  
X Ray ◽  
Modeling Techniques
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