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65. Design and development of new polymeric materials with potential antimicrobial and/or antifungal activity

Author

Sessa, Lucia

Subjects
CHIM/03 CHIMICA GENERALE E INORGANICA, Peptide, Antimicrobial, Biometerial
Abstract

2012 - 2013, This PhD project is focused on the development of new polymeric materials with antibacterial and antifungal activity. The first part of the work was dedicated to the synthesis and the insertion of a modified amino acid into an antimicrobial peptide (AMP), with the aim to retain the action mechanism on bacterial membranes. Understanding the mechanism of action of AMPs is important for the rational design of new drugs. For this reason, I have collected structural properties, antimicrobial activity values and biological origin of antimicrobial peptides from published data. I have calculated the most relevant chemical physical properties like charge, hydrophobic moment, helicity, flexibility, isoelectric point, Boman and instability index and penetration capabilities. This data collection work permitted us to create YADAMP (www.yadamp.unisa.it), a web database with detailed informations on AMPs. YADAMP database contains the highest number of active sequences with proven antimicrobial activity. YADAMP peremitted me to do a work of data mining that end up with the choice of a peptide, a defensine, to be used as template for developing a new photoresponsive peptide. The peptide, hereafter indicated as ALY, is a short α-helix, membrane active AMP with a tyrosine in the sequence. I have developed the modified analogue replacing the tyrosine by a modified tyrosine with azobenzene group in the side chain. The modified amino acid, named Fmoc-azoTyr, was synthesized according to the classic scheme of diazocopulation reactions. I have chosen the azobenzene group because it permits a reversible trans to cis photochemical isomerization... [edited by author], XII n.s.

Published
2015
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66. Yada in a Nutshell

Author

Fino, Roberto, Biasi, Luigi Di, Piotto, Stefano, Rosaura Parisi, G. Cattaneo, A. De Santis, and Sessa, Lucia

Published
2015
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72. Harvesting free energy landscapes in biological systems

Author

Piotto, Stefano, Concilio, Simona, Sessa, Lucia, Rossi, Federico, Wragg, Darren, Casini, Angela, Leoni, Stefano, Piotto, Stefano, Concilio, Simona, Sessa, Lucia, Rossi, Federico, Wragg, Darren, Casini, Angela, and Leoni, Stefano

Abstract

A sophisticated mechanistic investigation of biological processes is the starting point for the calculation of accurate free energy figures, which enable comparison with experimental results. Applied to drug discovery, the use of molecular methods can guide the formulation and optimisation of novel drugs, specifically targeting molecular processes as they are learned from simulations. This is illustrated here based on two examples, the study of secondary DNA structures (G4s) as target for small gold-based molecules, and the investigation of the mechanisms of glycerol permeation via the membrane channel aquaglyceroporin-3 (AQP3). Both approaches leverage the enhanced sampling efficiency of accelerated molecular dynamics.

73. Single Compartment Approach for Assembling Photosynthetic Protocells

Author

Altamura, Emiliano, Albanese, Paola, Milano, Francesco, Trotta, Massimo, Stano, Pasquale, Mavelli, Fabio, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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74. Fluorescent Probes for Applications in Bioimaging

Author

Di Martino, Miriam, Marrafino, Francesco, Diana, Rosita, Iannelli, Pio, Concilio, Simona, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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75. Following the Growth and Division of Lipid Boundaries by Using Glass Microsphere-Supported Protocells

Author

Lopez, Augustin, Chieffo, Carolina, Fiore, Michele, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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76. Image-Guided Mini-Invasive Treatments for Vascular and Oncologic Diseases: Embolization Therapy

Author

Santoro, Jacopo, Di Martino, Miriam, Piotto, Stefano, Concilio, Simona, Midulla, Marco, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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77. Oral Fast and Topical Controlled Ketoprofen Release Through Supercritical Fluids Based Processes

Author

Franco, Paola, De Marco, Iolanda, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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78. Study on the Use of Biomaterials as Protective Membranes for Certain Functional Foods

Author

Savescu, Petre, Iacobescu, Fanel, Poenaru, Maria-Magdalena, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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79. Controlling Drug Release of Anti-inflammatory Molecules Through a pH-Sensitive, Bactericidal Polymer Matrix: Towards a Synergic and Combined Therapy

Author

Izzo, Lorella, Gorrasi, Giuliana, Sorrentino, Andrea, Tagliabue, Andrea, Mella, Massimo, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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80. Eco-Friendly Lipid Nanoformulations: Toward Greener Alternatives for Organic Extraction Solvents

Author

Clemente, Ilaria, Menicucci, Felicia, Sautariello, Giulia, Ristori, Sandra, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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81. Using Computer Simulations and Virtual Reality to Understand, Design and Optimize Artificial Water Channels

Author

Martinez, Xavier, Hardiagon, Arthur, Santuz, Hubert, Murail, Samuel, Barboiu, Mihail, Sterpone, Fabio, Baaden, Marc, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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82. Exploring Cation Mediated DNA Interactions Using Computer Simulations

Author

He, Weiwei, Kirmizialtin, Serdal, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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83. Harvesting Free Energy Landscapes in Biological Systems

Author

Wragg, Darren, Casini, Angela, Leoni, Stefano, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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84. Modelling a Light Transducing Protocell Population

Author

Mavelli, Fabio, Albanese, Paola, Altamura, Emiliano, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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85. Nucleation and Growth Rate of a Poly(Lactic Acid) in Quiescent Conditions

Author

Volpe, Valentina, Foglia, Fabiana, Iozzino, Valentina, Pantani, Roberto, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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86. Superhydrophobic Coatings and Artificial Neural Networks: Design, Development and Optimization

Author

Marrafino, Francesco, Iannelli, Pio, Di Martino, Miriam, Concilio, Simona, Piotto, Stefano, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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87. Supercritical Assisted Electrospray for the Production of Controlled Size Loaded PVP Microparticles

Author

Baldino, Lucia, Cardea, Stefano, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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88. Morphological and Properties Characterization of Poly(3-Hydroxybutyrate-Co-3-Hydroxyvalerate)/Halloysite Nanotubes Bionanocomposites

Author

Kennouche, Salima, Dehouche, Nadjet, Kaci, Mustapha, Lopez-Cuesta, José-Marie, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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89. Composition and Microstructure of Biocompatible and pH-Sensitive Copolymers Prepared by a Free Solvent ARGET ATRP

Author

Miele, Ylenia, Mella, Massimo, Izzo, Lorella, Rossi, Federico, Lovell, Nigel H., Advisory Editor, Oneto, Luca, Advisory Editor, Piotto, Stefano, Advisory Editor, Samsonovich, Alexei V., Advisory Editor, Babiloni, Fabio, Advisory Editor, Liwo, Adam, Advisory Editor, Magjarevic, Ratko, Advisory Editor, Concilio, Simona, editor, Sessa, Lucia, editor, and Rossi, Federico, editor

Published
2020
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90. A Water Soluble 2-Phenyl-5-(pyridin-3-yl)-1,3,4-oxadiazole Based Probe: Antimicrobial Activity and Colorimetric/Fluorescence pH Response

Author

Rosita Diana, Ugo Caruso, Luigi Di Costanzo, Simona Concilio, Stefano Piotto, Lucia Sessa, Barbara Panunzi, Diana, Rosita, Caruso, Ugo, DI COSTANZO, Luigi, Concilio, Simona, Piotto, Stefano, Sessa, Lucia, and Panunzi, Barbara

Subjects
Antibacterial activity, Molecular dynamics studies on probe–cell membrane interactions, Naked-eye colorimetric response, Naked-eye fluorescence response, PH-responsive probe, Fluorescent Dyes, Hydrogen-Ion Concentration, Oxadiazoles, Water, Anti-Infective Agents, Colorimetry, Organic Chemistry, Pharmaceutical Science, Analytical Chemistry, Chemistry (miscellaneous), Drug Discovery, Molecular Medicine, pH-responsive probe, naked-eye colorimetric response, naked-eye fluorescence response, antibacterial activity, molecular dynamics studies on probe–cell membrane interactions, Physical and Theoretical Chemistry
Abstract

The growing demand of responsive tools for biological and biomedical applications pushes towards new low-cost probes easy to synthesize and versatile. Current optical probes are theranostic tools simultaneously responsive to biological parameters/analyte and therapeutically operating. Among the optical methods for pH monitoring, simple small organic molecules including multifunctional probes for simultaneous biological activity being highly desired by scientists and technicians. Here, we present a novel pH-responsive probe with a three-ring heteroaromatic pattern and a flexible cationic chain. The novel molecule shows real-time naked-eye colorimetric and fluorescence response in the slightly acidic pH range besides its excellent solubility both in the organic phase and in water. In addition, the small probe shows significant antibacterial activity, particularly against Escherichia coli. Single-crystal X-ray study and density functional theory (DFT) calculations rationalize the molecule spectroscopic response. Finally, molecular dynamics (MD) elucidate the interactions between the probe and a model cell membrane.

Published
2022
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91. Solid-State Highly Efficient DR Mono and Poly-dicyano-phenylenevinylene Fluorophores

Author

Simona Concilio, Barbara Panunzi, Shiran Nabha, Rafi Shikler, Lucia Sessa, Ugo Caruso, Rosita Diana, Angela Tuzi, Stefano Piotto, Panunzi, Barbara, Diana, Rosita, Concilio, Simona, Sessa, Lucia, Shikler, Rafi, Nabha, Shiran, Tuzi, Angela, Caruso, Ugo, and Piotto, Stefano

Subjects
Infrared, Fluorescent Dye, Solid-state, Pharmaceutical Science, Quantum yield, Carbocyanine, 02 engineering and technology, Crystallography, X-Ray, 01 natural sciences, Analytical Chemistry, AIE, chemistry.chemical_compound, DR, Drug Discovery, fluorophores, Carbocyanines, Polyvinyl, Molecular Structure, 021001 nanoscience & nanotechnology, Fluorescence, Chemistry (miscellaneous), OLED/PLED, PPV, Molecular Medicine, Polyvinyls, 0210 nano-technology, chemistry_other, Materials science, Infrared Rays, Crystallographic data, Astrophysics::Cosmology and Extragalactic Astrophysics, Fluorophore, 010402 general chemistry, Article, lcsh:QD241-441, lcsh:Organic chemistry, Molecule, Physical and Theoretical Chemistry, Astrophysics::Galaxy Astrophysics, Common emitter, Fluorescent Dyes, Drug Discovery3003 Pharmaceutical Science, Organic Chemistry, Infrared Ray, 0104 chemical sciences, Spectrometry, Fluorescence, chemistry, Physical chemistry, Quantum Theory, Derivative (chemistry)
Abstract

A highly efficient deep red (DR) emitting organic solid based on a dicyano-phenylenevinylene derivative was reported. The structural and spectroscopic properties of the solid have been described in terms of crystallographic data and time dependent DFT analysis. A noteworthy fluorescence quantum yield of 53% was observed for the brightest emitter cast into solid films. This result can be explained in terms of aggregation-induced emission (AIE) effect.

Published
2018

92. AIE/ACQ effects in two DR/NIR emitters: A structural and DFT comparative analysis

Author

Simona Concilio, Lucia Sessa, Barbara Panunzi, Stefano Piotto, Shiran Nabha, Angela Tuzi, Rafi Shikler, Rosita Diana, Ugo Caruso, Caruso, Ugo, Panunzi, Barbara, Diana, Rosita, Concilio, Simona, Sessa, Lucia, Shikler, Rafi, Nabha, Shiran, Tuzi, Angela, and Piotto, Stefano

Subjects
Materials science, Pharmaceutical Science, Crystallographic data, Quantum yield, 02 engineering and technology, Solid material, 010402 general chemistry, 01 natural sciences, DFT, Article, Fluorescence, Analytical Chemistry, lcsh:QD241-441, lcsh:Organic chemistry, Drug Discovery, DR/NIR emitter, PLQY, Physical and Theoretical Chemistry, Polyvinyls, Polyvinyl, Quenching (fluorescence), Crystallography, Drug Discovery3003 Pharmaceutical Science, Organic Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, AIE/ACQ, Chemistry (miscellaneous), Physical chemistry, Molecular Medicine, 0210 nano-technology
Abstract

The effects of aggregation-induced emission (AIE) and of aggregation caused quenching (ACQ) were observed and discussed on two solid materials based on a phenylenevinylene (PV) and a dicyano-PV structure. The brightest emitter in solid films shows a high fluorescence quantum yield in the deep red/near IR (DR/NIR) region (75%). The spectroscopic properties of the two crystalline solids have been described and compared in terms of crystallographic data and time dependent DFT analysis. The influence of the cyano-substituents on AIE/ACQ mechanism activation was discussed.

Published
2018

93. Synthesis and Antimicrobial Studies of New Antibacterial Azo-Compounds Active against Staphylococcus aureus and Listeria monocytogenes

Author

Lucia Sessa, Stefano Piotto, Rosita Diana, Gabriel Torrens, Simona Concilio, Carlos Juan, Ugo Caruso, Pio Iannelli, Piotto, Stefano, Concilio, Simona, Sessa, Lucia, Diana, Rosita, Torrens, Gabriel, DE MARTIN, JUAN CARLOS, Caruso, Ugo, and Iannelli, Pio

Subjects
Staphylococcus aureus, estructura molecular, synthesis, listeria monocytogenes, Pharmaceutical Science, Microbial Sensitivity Tests, Biology, 010402 general chemistry, medicine.disease_cause, 01 natural sciences, Article, azo-compound, Analytical Chemistry, lcsh:QD241-441, chemistry.chemical_compound, lcsh:Organic chemistry, Listeria monocytogenes, Drug Discovery, medicine, Organic chemistry, Phenols, Physical and Theoretical Chemistry, Escherichia coli, Listeria monocytogene, Aza Compounds, Molecular Structure, compuestos aza, 010405 organic chemistry, Synthesi, Medicine (all), Gram-positive antibacterial, Organic Chemistry, biology.organism_classification, Antimicrobial, 0104 chemical sciences, Anti-Bacterial Agents, chemistry, Chemistry (miscellaneous), pruebas de sensibilidad microbiana, Molecular Medicine, antibacterianos, Antibacterial activity, Lead compound, Bacteria, Azo-compound, Synthesis, Nuclear chemistry
Abstract

Some novel (phenyl-diazenyl) phenols (4a-m) were designed and synthesized to be evaluated for their antibacterial activity. Starting from an active previously-synthesized azobenzene chosen as lead compound, we introduced some modifications and optimization of the structure, in order to improve solubility and drug conveyance. Structures of all newly-synthesized compounds were confirmed by H-1 nuclear magnetic resonance (NMR), mass spectrometry, and UV-Vis spectroscopy. Antibacterial activity of the new compounds was tested with the dilution method against the bacteria strains Listeria monocytogenes, Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa PAO1. All the compounds were selectively active against Gram-positive bacteria. In particular, compounds 4d, 4h, and 4i showed the highest activity against S. aureus and Listeria monocytogenes, reaching remarkable MIC100 values of 4 mu g/mL and 8 mu g/mL. The relationship between antimicrobial activity and compound structure has suggested that the presence of hydroxyl groups seems to be essential for antimicrobial activity of phenolic compounds., This research work was financially supported by the Italian Minister of Instruction, University and Research (MIUR)-300395FRB16. The authors are grateful to Fabrizio dal Piaz for the mass spectral measurements.

Published
2017

94. A novel fluorescent solvatochromic probe for lipid bilayers

Author

Lucia Sessa, Pio Iannelli, Rosita Diana, Simona Concilio, Barbara Panunzi, Antonio Massa, Antonella Rella, Stefano Piotto, Ilaria Ferrentino, Concilio, Simona, Ferrentino, Ilaria, Sessa, Lucia, Massa, Antonio, Iannelli, Pio, Diana, Rosita, Panunzi, Barbara, Rella, Antonella, and Piotto, Stefano

Subjects
0301 basic medicine, Molecular dynamic, Fluorophore, Analytical chemistry, 010402 general chemistry, 01 natural sciences, Polar membrane, Fluorescence, Lipid bilayer, 03 medical and health sciences, chemistry.chemical_compound, Membrane probe, Fluorescence microscope, Membrane fluidity, fluorescence, membrane probe, molecular dynamics, Chemistry (all), Membrane structure, General Chemistry, 0104 chemical sciences, 030104 developmental biology, Membrane, chemistry, Biophysics
Abstract

The cell membrane is a heterogeneous system constituted mainly by lipids and proteins in which the physical state is finely regulated to guarantee the regular functions. Among the numerous analytical techniques employed in membrane investigation, a special role is the one of fluorescence microscopy. Fluorescence microscopy allows a fast and non-disruptive investigation of model membranes as well as living samples. Numerous fluorescent probes are known, but most of them are unsuitable for membrane studies, since they either alter the membrane structure or they are internalized in the cell. In this work, we report the rational design and the synthesis of a new fluorescent membrane probe and its characterization in model membranes. The probe consists of a fluorescent aromatic nucleus of 7-nitrobenz-2-oxa-1,3-diazole (NBD) that emits in the visible region of the spectrum. The fluorophore has been linked to a zwitterionic structure and a saturated chain of 18 carbon atoms, to prevent the internalization in the cell and to selectively anchor it to the outer membrane layer. It is worth to notice that the probe shows a certain degree of solvatochromism, a feature that can be exploited to evaluate the liquid-ordered and liquid-disordered composition of biological membranes.

Published
2017

95. Fluorescent solvatochromic molecules as probes for lipid bilayers

Author

Simona Concilio, Lucia Sessa, Antonio Massa, Stefano Piotto, Pio Iannelli, Rosita Diana, Barbara Panunzi, Ugo Caruso., Società Chimica Italiana, Concilio, Simona, Sessa, Lucia, Massa, Antonio, PIOTTO PIOTTO, Stefano, Iannelli, Pio, Diana, Rosita, Panunzi, Barbara, and Caruso, Ugo

Published
2017

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