Computational study on the intramolecular self-organization of the macrorings of some ‘giant’ cyclodextrins (CDn, n = 40, 70, 85, 100)

Author:

Ivanov Petko M.1234,Atanassov Emanouil J.5234,Jaime Carlos6789

Affiliation:

1. Institute of Organic Chemistry with Centre of Phytochemistry

2. Bulgarian Academy of Sciences

3. 1113 Sofia

4. Bulgaria

5. Institute of Information and Communication Technologies

6. Universitat Autònoma de Barcelona

7. Departament de Química

8. Facultat de Ciències

9. Spain

Abstract

A limited number of modes determine the overall deformations of the macrorings, which may have more than one cavity. Accordingly, they have the potential to accommodate more than one substrate molecule.

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Reference83 articles.

1. Structures of the Common Cyclodextrins and Their Larger AnaloguesBeyond the Doughnut

2. H. Ueda and T.Endo, in Cyclodextrins and Their Complexes. Chemistry, Analytical Methods, Applications, ed. H. Dodziuk, Wiley-VCH, Weinheim, 2006, pp. 370–380

3. Large-ring Cyclodextrins

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