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1 article(s) from Machuqueiro, Miguel

Why a diaminopyrrolic tripodal receptor binds mannosides in acetonitrile but not in water?

Diogo Vila-Viçosa,
Oscar Francesconi and
Miguel Machuqueiro

Beilstein J. Org. Chem. 2014, 10, 1513–1523, doi:10.3762/bjoc.10.156

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Graphical Abstract

Figure 1: Octyl α-D-mannoside (mannoside) and diaminopyrrolic tripodal receptor molecules. 2D and 3D represen...

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Figure 2: Full titration curve of the receptor (a) and the correspondent percentage of protonation in each ge...

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Figure 3: Diagram representing the population of all microstates at each number of titrable protons (n) prese...

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Figure 4: Radius of gyration (R_g) histograms for the receptor in water at pH 1.0, 3.0, 6.0, 10.0 and in ACN. ...

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Figure 5: Free energy profiles for the receptor at pH 1.0 (a), 6.0 (b), 10.0 (c) and ACN (d) using RMSD and R_g...

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Figure 6: Schematic representation of the receptor arms positions. Pyrrolic nitrogen atoms positions relative...

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Figure 7: Histogram of the hydrogen bonds between receptor and mannoside in ACN and water (at different proto...

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Figure 8: Distance histograms between the center of mass of the last 4 atoms of the carbon chain of the manno...

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Figure 9: Typical conformations in water and ACN. The selected conformations have 6 hydrogen bonds in ACN and...

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Published 03 Jul 2014

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