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Your search keyword '"FERMEGLIA, MAURIZIO"' showing total 39 results
Start Over Author "FERMEGLIA, MAURIZIO" Publisher american chemical society (acs)
39 results on '"FERMEGLIA, MAURIZIO"'

10. Structurally Flexible Triethanolamine Core PAMAM Dendrimers Are Effective Nanovectors for DNA Transfection in Vitro and in Vivo to the Mouse Thymus

Author

Liu, Xiaoxuan, primary, Wu, Jiangyu, additional, Yammine, Miriam, additional, Zhou, Jiehua, additional, Posocco, Paola, additional, Viel, Stephane, additional, Liu, Cheng, additional, Ziarelli, Fabio, additional, Fermeglia, Maurizio, additional, Pricl, Sabrina, additional, Victorero, Genevieve, additional, Nguyen, Catherine, additional, Erbacher, Patrick, additional, Behr, Jean-Paul, additional, and Peng, Ling, additional

Published
2011
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15. Synthesis, Biological Evaluation, and Three-Dimensional in Silico Pharmacophore Model for σ1 Receptor Ligands Based on a Series of Substituted Benzo[d]oxazol-2(3H)-one Derivatives

Author

Zampieri, Daniele, primary, Mamolo, Maria Grazia, additional, Laurini, Erik, additional, Florio, Chiara, additional, Zanette, Caterina, additional, Fermeglia, Maurizio, additional, Posocco, Paola, additional, Paneni, Maria Silvia, additional, Pricl, Sabrina, additional, and Vio, Luciano, additional

Published
2009
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20. Simple but Highly Effective Three-Dimensional Chemical-Feature-Based Pharmacophore Model for Diketo Acid Derivatives as Hepatitis C Virus RNA-Dependent RNA Polymerase Inhibitors

Author

Di Santo, Roberto, primary, Fermeglia, Maurizio, additional, Ferrone, Marco, additional, Paneni, Maria Silvia, additional, Costi, Roberta, additional, Artico, Marino, additional, Roux, Alessandra, additional, Gabriele, Mirko, additional, Tardif, Keith D., additional, Siddiqui, Aleem, additional, and Pricl, Sabrina, additional

Published
2005
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35. Combined Mesoscale/Experimental Study of Selective Placement of Magnetic Nanoparticles in Diblock Copolymer Films via Solvent Vapor Annealing

Author

Maurizio Fermeglia, Y. Mohamed Hassan, Irati Barandiaran, Galder Kortaberria, Sabrina Pricl, Paola Posocco, Posocco, Paola, Hassan, Y. Mohamed, Barandiaran, I., Kortaberria, G., Pricl, Sabrina, and Fermeglia, Maurizio

Subjects
Nanostructure, Materials science, Annealing (metallurgy), Nanoparticle, 02 engineering and technology, 010402 general chemistry, Methacrylate, 01 natural sciences, Polymer chemistry, computer simulation, Copolymer, computer simulations, Lamellar structure, afm, diblock copolymers, Physical and Theoretical Chemistry, diblock copolymer, nanoparticles, aggregation, dispersion, solvent vapor annealing, nanoparticle, dBc, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, General Energy, Chemical engineering, Magnetic nanoparticles, 0210 nano-technology
Abstract

We present a combined theoretical/experimental study to investigate the effect of selective solvent vapor annealing treatment on the obtainment of highly ordered morphologies of symmetric poly(styrene-b-methyl methacrylate) diblock copolymer (PS-b-PMMA DBC) films loaded with compatibilized magnetic (Fe3O4) nanoparticles (NPs). Different amounts of NPs were considered (1, 2, and 5 wt %) to study the effect of the inorganic content on the final properties of Fe3O4/PS-b-PMMA films. A precise control of the DBC nanostructure could be obtained by very simple and cost-effective fabrication steps, compatible with current industrial processes. Moreover, the modified NPs could be selectively placed into the PMMA domains of the DBC up to NP concentration of 5 wt % while preserving the corresponding DBC lamellar morphology.

Published
2016
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36. Another Brick in the Wall. Validation of the σ1 Receptor 3D Model by Computer-Assisted Design, Synthesis, and Activity of New σ1 Ligands

Author

Domenico Marson, Erik Laurini, Luciano Vio, Valentina Dal Col, Sabrina Pricl, Maria Grazia Mamolo, Daniele Zampieri, Maurizio Fermeglia, Laurini, Erik, Marson, Domenico, Valentina Dal Col, Fermeglia, Maurizio, Mamolo, MARIA GRAZIA, Zampieri, Daniele, Vio, Luciano, and Pricl, Sabrina

Subjects
Models, Molecular, binding, Molecular model, In silico, Quantitative Structure-Activity Relationship, Pharmaceutical Science, Mutagenesis (molecular biology technique), Computational biology, Molecular Dynamics Simulation, Ligands, Molecular dynamics, Drug Discovery, Humans, Receptors, sigma, Computer Simulation, Homology modeling, sigma receptor, Receptor, molecular modeling, Chemistry, sigma receptors, Alanine scanning, Ligand (biochemistry), Mutagenesis, Drug Design, Mutation, Computer-Aided Design, Molecular Medicine, Protein Binding
Abstract

Originally considered an enigmatic polypeptide, the σ(1) receptor has recently been identified as a unique ligand-regulated protein. Many studies have shown the potential of σ(1) receptor ligands for the treatment of various diseases of the central nervous system (CNS); nevertheless, almost no information about the 3D structure of the receptor and/or the possible modes of interaction of the σ(1) protein with its ligands have been unveiled so far. With the present work we validated our σ(1) 3D homology model and assessed its reliability as a platform for σ(1) ligand structure-based drug design. To this purpose, the 3D σ(1) model was exploited in the design of 33 new σ(1) ligands and in their ranking for receptor affinity by extensive molecular dynamics simulation-based free energy calculations. Also, the main interactions involved in receptor/ligand binding were analyzed by applying a per residue free energy deconvolution and in silico alanine scanning mutagenesis calculations. Subsequently, all compounds were synthesized in our laboratory and tested for σ(1) binding activity in vitro. The agreement between in silico and in vitro results confirms the reliability of the proposed σ(1) 3D model in the a priori prediction of the affinity of new σ(1) ligands. Moreover, it also supports and corroborates the currently available biochemical data concerning the σ(1) protein residues considered essential for σ(1) ligand binding and activity.

Published
2012
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37. Self-Organization of Mixtures of Fluorocarbon and Hydrocarbon Amphiphilic Thiolates on the Surface of Gold Nanoparticles

Author

Paola Franchi, Silvia Bidoggia, Lucia Pasquato, Maurizio Fermeglia, Marco Lucarini, Sabrina Pricl, Cristina Gentilini, Alice Pace, Paola Posocco, Posocco, Paola, Gentilini, C., Bidoggia, Silvia, Pace, A., Franchi, P., Lucarini, M., Fermeglia, Maurizio, Pricl, Sabrina, Pasquato, Lucia, P. Posocco, C. Gentilini, S. Bidoggia, A. Pace, P. Franchi, M. Lucarini, M. Fermeglia, S. Pricl, and L. Pasquato

Subjects
Macromolecular Substances, Surface Properties, Molecular Conformation, General Physics and Astronomy, Polyethylene Glycols, Phase (matter), Materials Testing, PEG ratio, Monolayer, Amphiphile, Moiety, Organic chemistry, ligand morphology . phase separation . self-assembly . gold nanoparticles . multiscale molecular modeling . electron spin resonance, General Materials Science, Sulfhydryl Compounds, Particle Size, Fluorocarbons, CATALYSIS, Chemistry, RECOGNITION, General Engineering, Nanostructures, Folding (chemistry), Crystallography, Colloidal gold, MONOLAYER-PROTECTED NANOPARTICLE, Gold, EPR, Self-assembly, Crystallization, Hydrophobic and Hydrophilic Interactions
Abstract

Self-assembled monolayers composed of mixture of thiolate molecules, featuring hydrocarbon or perfluorocarbon chains (H- and F-chains) terminating with a short poly(oxoethylene) (PEG) moiety is the most extreme example of surfactants immiscibility on gold nanoparticles (NPs) reported so far. The phase-segregation between H-chains and F-chains and the consequent, peculiar folding of PEG chains are responsible for the increased affinity of a selected radical probe for the fluorinated region, which increases as the size of the fluorinated domains decreases, independently of the shape of such domains. This feature has been revealed by ESR measurements and an in silico innovative multiscale molecular simulations approach in explicit water. Our results reveal an underlying mechanism of a transmission of the organization of the monolayer from the inner region close to the gold surface toward the external hydrophilic PEG region. Moreover, this study definitively proves that a mixed monolayer is a complex system with properties markedly different from those characterizing the parent homoligand monolayers.

Published
2012
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38. Hydrophobically Modified Dendrons: Developing Structure−Activity Relationships for DNA Binding and Gene Transfection

Author

Chun-Ho Wong, Maurizio Fermeglia, Sabrina Pricl, David K. Smith, Hak-Fun Chow, Daniel W. Pack, Simon Jones, Paola Posocco, Nathan P. Gabrielson, Jones, S. P., Gabrielson, N. P., Wong, C. H., Chow, H. F., Pack, D. W., Posocco, Paola, Fermeglia, Maurizio, Pricl, Sabrina, and Smith, D. K.

Subjects
Models, Molecular, Dendrimers, Stereochemistry, Genetic Vectors, Pharmaceutical Science, Gene delivery, Transfection, Micelle, Structure-Activity Relationship, chemistry.chemical_compound, Dendrimer, Drug Discovery, Humans, Polyethyleneimine, Molecule, Structure–activity relationship, Luciferases, Cells, Cultured, Micelles, Molecular Structure, Chemistry, Gene Transfer Techniques, Charge density, DNA, gene therapy, multiscale modeling, Biophysics, Molecular Medicine, drug design and delivery, Spermine, Self-assembly, Plasmids
Abstract

This paper develops a structure−activity relationship understanding of the way in which surfactant-like dendrons with hydrophilic spermine surface groups and a variety of lipophilic units at their focal points can self-assemble and subsequently bind to DNA with high affinity. The choice of functional group at the focal point of the dendron and the high tunability of the molecular structure have a very significant impact on DNA binding. Mesoscale modeling of the mode of dendron self-assembly provides a direct insight into how the mode of self-assembly exerts its effect on the DNA binding process. In particular, the hydrophobic unit controls the number of dendrons in the self-assembled micellar structures, and hence their diameters and surface charge density. The DNA binding affinity correlates with the surface charge density of the dendron aggregates. Furthermore, these structure−activity effects can also be extended to cellular gene delivery, as surface charge density plays a role in controlling the extent of endosomal escape. It is reported that higher generation dendrons, although binding DNA less strongly than the self-assembling lower generation dendrons, are more effective for transfection. The impact of the lipophilic group at the focal point is less significant for the DNA binding ability of these larger dendrons, which is predominantly controlled by the spermine surface groups, but it does modify the levels of gene transfection. Significant synergistic effects on gene delivery were observed when employing combinations of the dendrons and polyethyleneimine (PEI, 25 kDa), with transfection becoming possible at low loading levels where the two components would not transfect individually, giving practically useful levels of gene delivery.

Published
2011
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39. Density and Viscosity of 1-Methoxy-2-Propanol, 2-Methyltetrahydrofuran, α,α,α-Trifluorotoluene, and Their Binary Mixtures with 1,1,1-Trichloroethane at Different Temperatures

Author

Lorenzo De Lorenzi, Maurizio Fermeglia, Giovanni Torriano, DE LORENZI, Lorenzo, Fermeglia, Maurizio, and Torriano, Giovanni

Subjects
density, General Chemical Engineering, Relative viscosity, Analytical chemistry, General Chemistry, Mole fraction, Propanol, chemistry.chemical_compound, Viscosity, Molar volume, chemistry, viscosity, Trifluorotoluene, Organic chemistry, Binary system, Reduced viscosity
Abstract

The density and kinematic viscosity at nine temperatures in the range between 288.36 K and 328.30 K were measured at atmospheric pressure for 1-methoxy-2-propanol, 2-methyltetrahydrofuran, and α,α,α-trifluorotoluene. Density and kinematic viscosity were measured for 1,1,1-trichloroethane + 1-methoxy-2-propanol, + 2-methyltetrahydrofuran, and + α,α,α-trifluorotoluene at different temperatures and excess volumes, and deviations of the viscosity from a mole fraction average were determined. The results were used for the estimation of the adjustable parameters of a density Redlich−Kister expansion and of the viscosity UNIMOD model.

Published
1996
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