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1 article(s) from Malpezzi, Luciana

Inclusion complexes of β-cyclodextrin with tricyclic drugs: an X-ray diffraction, NMR and molecular dynamics study

Franca Castiglione,
Fabio Ganazzoli,
Luciana Malpezzi,
Andrea Mele,
Walter Panzeri and
Giuseppina Raffaini

Beilstein J. Org. Chem. 2017, 13, 714–719, doi:10.3762/bjoc.13.70

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Graphical Abstract

Figure 1: Molecular formulae and atom numbering of cyclobenzaprine (1, left) and amitriptyline (2, right). E ...

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Figure 2: Left: Job’s plot for H3’ chemical shift variations of the complex β-CD/1. Right: Job’s plot for H11...

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Figure 3: Expansion of 2D-ROESY of 1/β-CD (left) and 2/β-CD (right) complexes. Atom numbering is referred to Figure 1...

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Figure 4: X-ray diffraction structures of 1/β-CD (top) and 2/β-CD (bottom) complexes.

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Figure 5: The distance between the center of mass (c.o.m.) of molecule 1 (at left) and of molecule 2 (at righ...

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Figure 6: The value of the C9–C10 dihedral angle as a function of time for the complexes of molecule 1 and 2 ...

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Figure 7: Snapshots of the conformational transition in 2/β-CD in water taken at a 1 ps interval.

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Published 13 Apr 2017

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