盐酸普罗帕酮与 α-和 β-环糊精的主客体包合作用：光谱和分子模拟研究。
Host-guest inclusion complex of propafenone hydrochloride with α- and β-cyclodextrins: spectral and molecular modeling studies.
机构信息
Department of Chemistry, Annamalai University, Annamalai Nagar, 608 002 Tamil Nadu, India.
出版信息
Spectrochim Acta A Mol Biomol Spectrosc. 2013 Nov;115:559-67. doi: 10.1016/j.saa.2013.06.079. Epub 2013 Jun 29.
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.
采用吸收光谱、荧光光谱、时间分辨荧光光谱、SEM、FT-IR、DSC、（1）H NMR、XRD 和 PM3 方法，制备并表征了环糊精（CD）与潜在心血管药物盐酸普罗帕酮（PFO）的主客体包合物。光谱研究表明，苯环和羰基位于 CD 腔体内。溶剂研究表明，正常斯托克斯位移带源于局域激发态，而大斯托克斯位移带则归因于 ICT 的发射。纳秒时间分辨研究表明，PFO 在水中呈双指数衰减，在 CD 中呈三指数衰减，表明形成了 1:1 的包合物。固态研究结果表明，游离 PFO 的物理化学性质发生了重要变化。测定了包合过程的ΔH、ΔG 和ΔS，发现包合过程是自发的。热力学和电子性质的研究证实了包合物的稳定性。
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