Liliana Mammino

Prof. Dr. Liliana Mammino

School of Mathematical and Natural Science, University of Venda, Thohoyandou 0950, South Africa

Research Focus & Metrics

Academic Career Length

17Years (2010-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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19 November 2019 in Journal of Chemical Education
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Journal Article
Closed access
GHGlenn A. Hurst
Glenn A. Hurst
JSJ. Chris Slootweg
J. Chris Slootweg
ABAlina M. Balu
Alina M. Balu
MCMaria S. Climent-Bellido
Maria S. Climent-Bellido
AGAntonio Gomera
Antonio Gomera
JIJorge Ibáñez
Jorge Ibáñez

5 December 2012 in Journal of Molecular Modeling
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Journal Article
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LMLiliana Mammino
Liliana Mammino

1 January 2013 in Molecular Simulation
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Journal Article
Closed access
LMLiliana Mammino
Liliana Mammino
MKmwadham m Kabanda
mwadham m Kabanda
Acylphloroglucinols (ACPLs) are phloroglucinol derivatives characterised by the presence of a COR group and exhibiting a variety of biological activities, making them potentially interesting for drug development. The structural variety of these compounds prompts specific studies of relevant features characterising significant subsets of compounds. One of the more interesting features is the presence, in various structures, of additional intramolecular hydrogen bonds (IHBs), besides the one between the sp2 O of COR and an ortho phenol OH, which characterises all ACPLs. This work studies the geometric characteristics and the stabilising effects of additional O–H…O IHBs, considering a selection of structures representative of the more common possibilities for their formation and comparing the results in vacuo, chloroform, acetonitrile and water. The results highlight patterns depending on the types and positions of the atoms forming the additional IHBs and, for the results in solution, also on the nature of the solvent. The stabilising effects, important in vacuo, decrease with increasing solvent polarity. In water solution, the additional IHB breaks if its breaking makes a donor or acceptor group fully (no steric hindrances) available for solute–solvent intermolecular hydrogen bonds.

11 July 2014 in Journal of Molecular Modeling
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Journal Article
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RARogelio A. Delgado Alfaro
Rogelio A. Delgado Alfaro
ZGZeferino Gómez-Sandoval
Zeferino Gómez-Sandoval
LMLiliana Mammino
Liliana Mammino