Atomically precise thiolate protected gold and more generally metal nanoclusters have
metal-core diameters of 1-1.8 nm, and the number and nature of the metal atoms and capping ligands are
clearly defined. Over the last years, synthetic and purification procedures have been implemented to such a
high level that many of them could be prepared and extensively studied. Important properties could be
assessed through careful studies of the nanoclusters' optical, magnetic, and electron-transfer behaviors.
This course will showcase the chemistry and physical chemistry of these nanosystems, starting from the
synthesis, purification, and main characterization techniques. Then, their magnetic, optical, photophysical,
and electrochemical behaviors will be described and analyzed. Finally, the course will cover applications
with a special focus on electro- and photo-catalysis.
Teachers: Flavio Maran, Sabrina Antonello, Sara Bonacchi, Alfonso Zoleo
Curriculum: Chemical Sciences
Duration: 24 hours
- Teacher: Sabrina Antonello
- Teacher: Sara Bonacchi
- Teacher: Flavio Maran
- Teacher: Alfonso Zoleo
CONTENT
The course aims at providing the PhD students of the School in Molecular Science an up-to-date overview of the theoretical approach in studying drug-receptor interactions and of the chemical, biochemical and physical methods currently used for quantifying macromolecular interactions.
1) Generality on the structure and function of proteins as targets of drug activity: soluble receptors and nuclear receptors, membrane-bound receptors, G protein-coupled receptors, integrins, enzymes as key targets of drugs, DNA as a receptor for innovative drugs.2) Theoretical aspects for describing drug-receptor interactions: rigid-body mechanism, adaptive mechanism, population-shift mechanism, implications of receptor and ligand conformational flexibility in drug discovery. Analysis of binding data: the Langmuir model of single binding, the tight- and slow-binding model, multiple equivalent and nonequivalent binding, model for allosteric interactions. Derivation of thermodynamic quantities of ligand binding using the van’t Hoff treatment.
2) Experimental methods for monitoring and quantifying the strength of ligand-receptor interaction (a personal classification). • Molecular biology methods (two-hybrid systems, enzyme-linked immunosorbent assays, micro-chips and micro-arrays). • Chemical methods (affinity chromatography, size-exclusion chromatography; native electrophoresis, chemical cross-linking, “native” mass spectrometry techniques and Hydrogen-Deuterium Exchange mass spectrometry, HDX-MS) • Physical methods (equilibrium dialysis, ultracentrifugation at equilibrium, dynamic and static light scattering, surface plasmon resonance, calorimetric methods) • Spectroscopic methods (differential UV absorption and second-derivative UV spectroscopy, far- and near-UV circular dichrosim, fluorescence spectroscopy, fluorescence anysotropy) • Biochemical methods (determination of the kinetic constants kcat and Km of enzyme activity, determination of the inhibition constant Ki of reversible competitive, noncompetitive and incompetitive inhibitors)
3) Hands-on experience (4 hours): determination of binding constants by SPR, calorimetric and fluorescence techniques.
Teacher: DE FILIPPIS Vincenzo
Curriculum: Pharmaceutical Sciences
Duration: 24 hours
- Teacher: Vincenzo De Filippis
The course will focus on the most recent developments of catalysis spanning from
stereoselective metal- and organocatalysis to photosynthetic catalysis. Particular attentions will be paid to
the different activation modes and reaction mechanisms involved in the diverse catalytic transformations.
A green chemistry perspective will be also presented, with a special attention to the conversion of
renewable feedstocks. The potential future developments of the different fields will be discussed.
Teachers: DELL’AMICO Luca, SARTOREL Andrea, CARRARO Mauro
Curriculum: Chemical Sciences
Duration: 24 hours
- Teacher: Mauro Carraro sosp
- Teacher: Luca Dell'Amico
- Teacher: Andrea Sartorel
Introduction into pharmacokinetics and pharmacodynamics, PK and PD of small MW drugs.
Pharmacokinetics (PK) and pharmacodynamics (PD) terminology, Physiological basis for drug (small MW compound) distribution and elimination, Major PK parameters: clearance, volume of distribution, elimination half-life, Major properties of compartmental and physiologically-based PK (PBPK) models, PKPD correlations (sigmoid E max model). PK and PD of nano-drug delivery systems (DDSs). Targeted drug delivery for enhancement of drug effectiveness and safety, Major pathways of nano-DDS disposition following systemic administration. Effect of the nano-DDS formulation properties (size, charge, composition, targeting residues) on their systemic disposition and accumulation in solid tumors. Analytical issues: quantification of nano-DDS-encapsulated vs. free drug in the systemic circulation and at the site of action (solid tumor). Problems with limited drug/DDS permeability into the ‘deep’ parts of the solid tumor (i.e., cells that are distant from the capillaries). Modeling analysis of rate-limiting steps of nano-DDSs systemic and intratumoral disposition. Strategies to modulate the nano-DDSs disposition for enhancing their therapeutic effectiveness
(PK) and pharmacodynamic (PD) properties of biopharmaceuticals. Immunogenicity and PK/PD of
biopharmaceuticals. Target-Mediated Disposition of biopharmaceuticals. PK and PK-PD modeling of
biopharmaceuticals and its use in pre-clinical and clinical drug development.
Teachers: SALMASO Stefano and STEPENSKY David (Ben-Gurion University of the Negev - Israel)
Curriculum: Pharmaceutical Sciences
Duration: 24 hours
- Teacher: Stefano Salmaso
PROGRAM
Teacher: Dr. Ileana Menegazzo (DiSC)
Theory (slides in English, lesson in Italian – about 2h)
Date: to be defined
Location: aula M (DiSC)
Overview of the NMR spectrometers in the Department, with relative probes and software.
Safety rules in presence of magnetic fields (on line course is compulsory before the practical training).
Basic principles of the one-dimensional NMR experiment.
Preliminary operations: Editing Temperature - Lock - Shimming - Wobb
Acquisition and elaboration of the 1H spectrum:
- Acquisition parameters
- Phase correction, baseline correction, calibration, integration
- Field inhomogeneities: effect on the spectrum
- Effects of the number of acquired and processed points, AQ time and window functions
- RG and receiver saturation
- D1: effect on the integration
- 90° pulse calibration
The quick T1 estimation
Acquisition and elaboration of the 13C spectrum:
- 13C not decoupled and 13C {1H} decoupled
- DEPT
Solvent signal suppression with presaturation
Practical training at the Bruker AVANCE III 400 NMR - Department
of Chemical Sciences (about 4h)
Date: to be defined
Location: DiSC (NMR facilities)
Acquisition
and processing of the experiments in groups.
Non-Italian students will be grouped together and the practical training will be in English.
- Teacher: Ileana Menegazzo
Recent experimental and theoretical works have pointed to the use of the quantum nature of the electromagnetic radiation to modify and (perhaps) to engineer the photochemistry of molecules via the creation of hybrid light-matter states (polaritons) in the strong coupling regime. In the first part of this course, the theory leading to the quantization of the electromagnetic field will be presented, as well as its use to explain basic optical phenomena such as absorption, stimulated and spontaneous emission. The focus will be in explaining the concepts and the tools that are then needed to understand current photochemical experiments in the strong-coupling regime. In the second part of the course such tools and concepts will be used to explain some of the selected theoretical and experimental works that address molecular photochemistry in the strong coupling regime. The course may be of interest both for theoretically oriented PhD students, and to experimentally oriented ones who want to get acquainted with the language used in these works.
Teacher: CORNI Stefano
Curriculum: Chemical Sciences
Duration: 24 hours
- Teacher: Stefano Corni