Research

Theoretical Modeling of Surfactant Self-Assemly

We develop new theoretical models for surfactant self-assembly using a molecular theory, a statistical mechanical tool that predicts the thermodynamics and structure of the system, explicitly including the molecular details of all chemical species in it.

Our goal is to understand how the the molecular architecture of the surfactant and solution conditions directs the self-assembly of nanostructures in solution.

We also colaborate with the group of Martin Conda-Sheridan at the University of Nebraska Medical Center to explore the self-assembly and biological propeties of peptide-amphiphiles (amphiphiles that contain a peptide headgroup and a hydrocarbon tail)

Zaldivar, G.; Samad, M. B.; Conda-Sheridan, M.; Tagliazucchi, M., “Self-Assembly of Model Short Triblock Amphiphiles in Dilute Solution”, Soft Matter, 2018,14, 3171-3181

Protein and Polyelectrolyte Adsorption

We theoretically study the adsoption of proteins onto planar and curved surfaces.

We are particularly interested in studying the contribution of electrostatic interactions to adsorption and charge regulation effects, that is the change of the charge of the protein or polyelectrolyte in the presence of the surface. These mechanisms are resposible of some intriguing phenomena, such as the adsorption of proteins on surfaces of the same charge.

Boubeta, F.; Soler-Illia, G.J.A.A.; Tagliazucchi, M.; “Electrostatically Driven Protein Adsorption: Charge Patches versus Charge Regulation”, Langmuir, 2018, 34 15727.

Gilles, F. M.; Boubeta F. M.; Azzaroni, O.; Szleifer, I.; Tagliazucchi, M. “Modulation of Polyelectrolyte Adsorption on Nanoparticles and Nanochannels by Surface Curvature”, J. Phys. Chem. C, 2018, 122, pp 6669–6677

Ultrathin Polymer Films for Energy Storage Applications

Polymers are interesting candidates as solid electrolytes for lithium batteries, safer than organic liquid electrolytes. We are interested in developing new ultrathin electrolytes using the layer-by-layer (LbL) self-assembly method, which consists in the sequential adsorption of polymers on a surface.

We are developing new types of LbL films and novel methods to measure their ionic conductance and collaborate with the group of Professor Ernesto Calvo, who are experts in Li batteries.

We also do theoretical models for these system with the goal of understand how film structure depends on the properties of the polyelectrolytes and the deposition conditions.

Zaldivar, G; Tagliazucchi, M. “Layer-by-Layer Self-Assembly of Polymers with Pairing Interactions”, ACS Macro Letters, 2016, 5, pp 862–866.

Modeling Chemically Modified Nanopores and Nanochannels

The area of nanochannels and nanopores is a blooming field in current nanotechnology. Chemical modification allows controlling transport through these systems and direct fluxes of ions, small molecules and polymers. We use theory to understand transport and design new stimuli-responsive nanofluidic elements.

On-going and previous projects involve collaboratios with the theory group of Igal Szleifer at Northwestern University and experimental groups of Galo Soler Illia at University of San Martin and Omar Azzaroni at University of La Plata/INIFTA.

“Chemically Modified Nanopores and Nanochannels”, Edited by M. Tagliazucchi y I. Szleifer, Elsevier, 2016.

Saint-André, S.; Albanese; F., Soler Illia, G.; Tagliazucchi, M.; "Charge Percolation in Redox-Active Thin Membrane Hybrids of Mesoporous Silica and Poly(viologens)", PCCP 2019, 10.1039/C8CP07192F

Tagliazucchi, M.; Kai, H. ; Szleifer, I.; “Routes for nanoparticle translocation through polymer-brush-modified nanopores”, Journal of Physics: Condensed Matter, 2018, 30 274006

Gilles, F. M.; Tagliazucchi, M.*; Azzaroni, O.*; Szleifer, I; “Ionic Conductance of Polyelectrolyte-Modified Nanochannels: Nanoconfinement Effects on the Coupled Protonation Equilibria of Polyprotic Brushes”, J. Phys. Chem. C, 2016, 120 (9), pp 4789–4