title: Host-guest inclusion complex of propafenone hydrochloride with α- and β-cyclodextrins: spectral and molecular modeling studies.
abstract: Host-guest inclusion complexes of cyclodextrins (CDs) with a potential cardiovascular drug propafenone hydrochloride (PFO), were prepared and characterized using absorption, fluorescence, time-resolved fluorescence, SEM, FT-IR, DSC, (1)H NMR, XRD and PM3 methods. The spectral studies suggested the phenyl ring along with carbonyl group is present inside of CD cavity. Solvent studies revealed that the normal Stokes shifted band originates from the locally excited state and the large Stokes shifted band occurs due to the emission from ICT. Nanosecond time-resolved studies indicated that PFO exhibits biexponential decay in water and triexponential decay in CD, indicating the formation of 1:1 inclusion complex. The results from solid state studies showed important modifications in the physicochemical properties of free PFO. The ΔH, ΔG and ΔS of the complexation process were determined and it was found that the complexation processes were spontaneous. Investigations of thermodynamic and electronic properties confirmed the stability of the inclusion complex.
authors.affiliation: Department of Chemistry, Annamalai University, Annamalai Nagar, 608 002 Tamil Nadu, India.
authors.forename: S
authors.initials: S
authors.lastname: Siva
authors.forename: J
authors.initials: J
authors.lastname: Thulasidhasan
authors.forename: N
authors.initials: N
authors.lastname: Rajendiran
mesh_terms: D000042:Absorption; D002152:Calorimetry, Differential Scanning; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D049329:Nanostructures / Q000648:ultrastructure; D011208:Powders; D011405:Propafenone / Q000737:chemistry*; D012996:Solutions; D012997:Solvents; D013050:Spectrometry, Fluorescence; D017550:Spectroscopy, Fourier Transform Infrared; D013816:Thermodynamics; D013997:Time Factors; D014961:X-Ray Diffraction; D047391:alpha-Cyclodextrins / Q000737:chemistry*; D047392:beta-Cyclodextrins / Q000737:chemistry*
chemical_list: D011208:Powders; D012996:Solutions; D012997:Solvents; D047391:alpha-Cyclodextrins; D047392:beta-Cyclodextrins; D011405:Propafenone
keywords: (1)H NMR spectroscopy and PM3 calculations; Cyclodextrins; Host–guest complexes; Propafenone hydrochloride