Superstructure based on β-CD self-assembly induced by a small guest molecule
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Author(s)
De Sousa, Frederico B.
Lima, Ana C.
Denadai, Angelo M. L.
Anconi, Cleber P. A.
De Almeida, Wagner B.
Novato, Willian T. G.
Dos Santos, Helio F.
Drum, Chester L.
Langer, Robert
Sinisterra, Ruben D.
Date Issued
January 2012
Journal
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry
Citation
De Sousa, Frederico B., Ana C. Lima, Angelo M. L. Denadai, Cleber P. A. Anconi, Wagner B. De Almeida, Willian T. G. Novato, Helio F. Dos Santos, Chester L. Drum, Robert Langer, and Ruben D. Sinisterra. “Superstructure Based on β-CD Self-Assembly Induced by a Small Guest Molecule.” Physical Chemistry Chemical Physics 14, no. 6 (2012): 1934.
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Author's final manuscript
Abstract
The size, shape and surface chemistry of nanoparticles play an important role in cellular interaction. Thus, the main objective of the present study was the determination of the β-cyclodextrin (β-CD) self-assembly thermodynamic parameters and its structure, aiming to use these assemblies as a possible controlled drug release system. Light scattering measurements led us to obtain the β-CD's critical aggregation concentration (cac) values, and consequently the thermodynamic parameters of the β-CD spontaneous self-assembly in aqueous solution: Δ[subscript agg]G[superscript o] = −16.31 kJ mol[superscript −1], Δ[subscript agg]H[superscript o] = −26.48 kJ mol[superscript −1] and TΔ[subscript agg]S[superscript o] = −10.53 kJ mol[superscript −1] at 298.15 K. Size distribution of the self-assembled nanoparticles below and above cac was 1.5 nm and 60–120 nm, respectively. The number of β-CD molecules per cluster and the second virial coefficient were identified through Debye's plot and molecular dynamic simulations proposed the three-fold assembly for this system below cac. Ampicillin (AMP) was used as a drug model in order to investigate the key role of the guest molecule in the self-assembly process and the β-CD:AMP supramolecular system was studied in solution, aiming to determine the structure of the supramolecular aggregate. Results obtained in solution indicated that the β-CD's cac was not affected by adding AMP. Moreover, different complex stoichiometries were identified by nuclear magnetic resonance and isothermal titration calorimetry experiments.
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
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DOI of Published Version
https://doi.org/10.1039/c2cp22768a
