کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
27174 | 44006 | 2013 | 10 صفحه PDF | دانلود رایگان |

Steady-state fluorescence, time-resolved fluorescence, molecular mechanics (MM) and molecular dynamics (MD) were employed to study the thermodynamics of the complexation of 2I, 3I-O-(o-xylylene)-α-cyclodextrin (XαCD), which is also capable of self-aggregation, with a fluorescent polarity sensitive probe, the 2-naphthalenecarboxylate (2MN), in aqueous solution. Dimerization and inclusion constants, as well as the thermodynamics parameters accompanying both processes were obtained. We also used MM and MD to investigate the conformational behavior for the isolated XαCD, the dimerization and inclusion processes and the geometry of the complexes and driving forces responsible for their formation. The results were compared with those obtained for other α-cyclodextrins in order to establish relationships between the dimer and complex structures and the thermodynamics of both processes.
Figure optionsDownload as PowerPoint slideHighlights
► Xylylene-α-cyclodextrin in presence of a fluorescence probe shows both dimerization and inclusion competitive processes.
► Thermodynamics parameters accompanying both processes were obtained.
► Structure and forces responsible for self-aggregation and complexation were investigated.
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 256, 15 March 2013, Pages 42–51