A5073532624- RNA Interference and Gene Delivery
- Dendrimers and Hyperbranched Polymers
- Advanced biosensing and bioanalysis techniques
- Polymer Nanocomposites and Properties
- Gold and Silver Nanoparticles Synthesis and Applications
- Advanced Polymer Synthesis and Characterization
- Block Copolymer Self-Assembly
- Polymer crystallization and properties
- Nanoparticle-Based Drug Delivery
- Chronic Myeloid Leukemia Treatments
- Surfactants and Colloidal Systems
- Polymer Surface Interaction Studies
- Nanocluster Synthesis and Applications
- Chronic Lymphocytic Leukemia Research
- Hydrogels: synthesis, properties, applications
- Proteoglycans and glycosaminoglycans research
- Graphene and Nanomaterials Applications
- biodegradable polymer synthesis and properties
- Zeolite Catalysis and Synthesis
- Pharmacological Receptor Mechanisms and Effects
- Nanotechnology research and applications
- Carbon Nanotubes in Composites
- Lipid Membrane Structure and Behavior
- Protein Interaction Studies and Fluorescence Analysis
- nanoparticles nucleation surface interactions
University of Trieste
2016-2025
National Interuniversity Consortium of Materials Science and Technology
2013-2018
Wuhan University
2011-2013
Centre National de la Recherche Scientifique
2011-2013
Aix-Marseille Université
2013
Centre Interdisciplinaire de Nanoscience de Marseille
2013
Laboratoire de Chimie Bactérienne
2011
Zero to Three
2009
Czech Academy of Sciences, Institute of Chemical Process Fundamentals
2008
University of Applied Sciences and Arts of Southern Switzerland
2007
Significance Nanotechnology-based drug delivery is expected to bring new hope for cancer treatment by enhancing anticancer efficacy, overcoming resistance, and reducing toxicity. In this respect, we developed an innovative system based on a self-assembling amphiphilic dendrimer, which can generate supramolecular nanomicelles with large void space in their core encapsulate drugs high loading capacity. The resulting drug-encapsulated effectively enhance potency combat resistance promoting...
Abstract siRNA delivery remains a major challenge in RNAi‐based therapy. Here, we report for the first time that an amphiphilic dendrimer is able to self‐assemble into adaptive supramolecular assemblies upon interaction with siRNA, and effectively delivers siRNAs various cell lines, including human primary stem cells, thereby outperforming currently available nonviral vectors. In addition, this harness advantageous features of both polymer lipid vectors hence promotes effective delivery. Our...
This paper uses a combined experimental and theoretical approach to gain unique insight into gene delivery. We report the synthesis investigation of new family second-generation dendrons with four triamine surface ligands capable binding DNA, degradable aliphatic-ester dendritic scaffolds, hydrophobic units at their focal points. Dendron self-assembly significantly enhances DNA as monitored by range methods confirmed multiscale modeling. Cellular uptake studies indicate that some these are...
Smaller Span molecules occupy the free spaces between bulkier Tween thus lowering interfacial tension as compared to those obtained for single surfactant systems.
We report the simple synthesis and full investigation of a novel heparin binding dye, mallard blue, an arginine-functionalized thionine. This dye binds in highly competitive media, including water with high levels electrolyte, buffered aqueous solution human serum. The reports on by significant change its UV–vis spectroscopic profile. Molecular dynamics modeling provides detailed insight into mode. Heparin is shown to be selective over other glycosaminoglycans, such as hyaluronic acid...
Self‐assembly is a fundamental concept and powerful approach in molecular science. However, creating functional materials with the desired properties through self‐assembly remains challenging. In this work, combination of experimental computational approaches, small amphiphilic dendrons into nanosized supramolecular dendrimer micelles degree structural definition similar to traditional covalent high‐generation dendrimers reported. It demonstrated that, optimal balance hydrophobicity...
A hierarchical procedure bridging the gap between atomistic and mesoscopic simulation for polymer−clay nanocomposite (PCN) design is presented. The dissipative particle dynamics (DPD) adopted as technique, interaction parameters of model are estimated by mapping corresponding energy values obtained from molecular (MD) simulations. predicted structure nylon 6 PCN system considered in excellent agreement with previous experimental results.
Successful achievement of RNA interference in therapeutic applications requires safe and efficient vectors for siRNA delivery. In the present study, we demonstrate that a triethanolamine (TEA)-core PAMAM dendrimer generation 5 (G5) is able to deliver sticky siRNAs bearing complementary An/Tn 3′-overhangs effectively prostate cancer model vitro vivo produce potent gene silencing heat shock protein 27, leading notable anticancer effect. The (n = or 7) overhangs characteristic these molecules...
Short double-stranded RNAs, which are known as short interfering RNA (siRNA), can be used to specifically down-regulate the expression of targeted gene in a process interference (RNAi). However, success silencing applications based on use synthetic siRNA critically depends efficient intracellular delivery. Polycationic branched macromolecules such poly(amidoamine) (PAMAM) dendrimers show strong binding affinity for molecules and, hence, provide an effective, reproducible, and relatively...
This study presents for the first time 3D model of σ1 receptor protein as obtained from homology modeling techniques, shows applicability this structure to docking-based virtual screening, defines a computational strategy optimize results based on combination pharmacophore-based docking and MM/PBSA free energy binding scoring, provides evidence that these in silico models recipes are powerful tools which screening new ligands can be based. In particular, validation is utmost importance,...
Significance Mutations within the BCR-ABL1 kinase domain lead to resistance tyrosine inhibitor (TKI) therapy in chronic myeloid leukemia. We show a high prevalence of compound mutations (polymutants) patients failing TKIs. Molecular dynamics analyses most frequent polymutants complex with TKIs unveiled basis TKI resistance. Modeling ponatinib, potent pan-BCR-ABL1 TKI, highlighted presence mutant proteins capable escaping all available therapy.
The ligand shell (LS) determines a number of nanoparticles' properties. Nanoparticles' cores can be accurately characterized; yet the structure LS, when composed mixture molecules, described only qualitatively (e.g., patchy, Janus, and random). Here we show that quantitative description LS' morphology monodisperse nanoparticles obtained using small-angle neutron scattering (SANS), measured at multiple contrasts, achieved by either or solvent deuteration. Three-dimensional models core LS are...
Liquid-phase exfoliation (LPE) in aqueous solutions provides a simple, scalable, and green approach to produce 2D materials. By combining atomistic simulations with experiments, the interaction between surfactant layer at molecular scale can be better understood. In this work, two different dyes, corresponding rhodamine B base (Rbb) phenylboronic acid BODIPY (PBA-BODIPY) derivative, are employed as dispersants exfoliate graphene hexagonal boron nitride (hBN) through sonication-assisted LPE....
This paper develops a structure-activity relationship understanding of the way in which surfactant-like dendrons with hydrophilic spermine surface groups and variety lipophilic units at their focal points can self-assemble subsequently bind to DNA high affinity. The choice functional group point dendron tunability molecular structure have very significant impact on binding. Mesoscale modeling mode self-assembly provides direct insight into how exerts its effect binding process. In...
Novel benzo[d]oxazol-2(3H)-one derivatives were designed and synthesized, their affinities against σ receptors evaluated. On the basis of 31 compounds, a three-dimensional pharmacophore model for σ1 receptor binding site was developed using Catalyst 4.9 software package. The best 3D hypothesis, consisting one positive ionizable, hydrogen bond acceptor, two hydrophobic aromatic, features provided 3D-QSAR with correlation coefficient 0.89. hypothesis also validated by three independent...
This edge article reports the multiscale modelling of spermine-functionalised dendrons designed to bind DNA and deliver it into cells. The provides an insight mode self-assembly dendrons, in particular aggregate charge density shape, hence suggests explanations for some unexpected experimental observations. In particular, model helps explain why first generation dendron is more effective binding than second analogue, even though system has a greater number surface spermine ligands. Effective...
Abstract In this work we report, compare and discuss the results obtained from fully atomistic molecular dynamics simulations of generations 4, 5, 6 PAMAM‐based dendrimers having NH 3 triethanolamine as cores, forming complexes with a short interfering RNA (siRNA) at different pH values physiological ionic strength. By employing detailed analysis demonstrate how features such size, structural details, protonation level category affect dendrimer/siRNA complexation. Properties like...
With the aim of developing dendrimer nanovectors with a precisely controlled architecture and flexible structure for DNA transfection, we designed PAMAM dendrimers bearing triethanolamine (TEA) core, branching units pointing away from center to create void spaces, reduce steric congestion, increase water accessibility benefit delivery. These are shown form stable nanoparticles DNA, promote cell uptake mainly via macropinocytosis, act as effective transfection in vitro on epithelial...
The recently discovered small interfering RNA (siRNA) holds great promise in cancer therapy. However, efficient and safe delivery systems are required for the development of new therapeutic paradigms. Ovarian has highest mortality all gynecologic tumors, there is an urgent need specific effective therapies. phosphatidylinositol 3-kinase/Akt pathway, which strongly implicated biology ovarian cancer, constitutes attractive target. In this study, we describe a triethanolamine-core...
The spontaneous self-organization of dissimilar ligands on the surface metal nanoparticles is a very appealing approach to obtain anisotropic "spherical" systems. In addition differences in ligand length and end groups, further thermodynamic driving force control self-assembled monolayer organization may become available if are inherently immiscible, as case hydrogenated (H-) fluorinated (F-) species. Here, we validate viability this by combining 19F NMR experiments multiscale molecular...
This work presents a multiscale computational approach to probe the behavior of polymer/clay nanocomposites based on poly(ethylene oxide) (PEO)/montmorillonite (MMT) as obtained from water intercalation. In details, our modeling recipe is four sequential steps: (a) atomistic molecular dynamics simulations derive interaction energy values among all system components; (b) mapping these onto mesoscale dissipative particle parameters; (c) mesoscopic determine density distributions and...
Polymeric drug carriers have traditionally been considered important for enhancing stability and solubility, improving transport properties of pharmaceutical molecules. Two polymers extensively studied in this regard are poly(lactide) (PLA) poly(ethylene oxide) (PEO). Nonetheless, a systematic investigation the main structural physical factors influencing ultimate morphology structure these block polymer nanoscopic aggregates is still lacking. In work we report results complete study on...