| Elenco delle attività formative previste per i dottorandi del primo anno |
Advanced methodologies in organic chemistry
data presunta: 01/2026 - tipologia: riconducibile al progetto formativo - modalità di erogazione: Ex-cathedra - numero ore: 8
docente del corso: Andrea Calcaterra qualifica: Professore affiliazione: Italiana
programma delle attività: Learning outcomes
These lessons aim covering the basic principles and the recent advances in the main branches of organic chemistry: (1) metal-assisted cross-coupling reactions, (2) asymmetric organocatalysis, (3) green chemistry and (4) retrosynthetic analysis. This cycle of lessons talks about the application of these fields useful for large-scale (bulk) and smaller-scale (fine chemicals) production as well the synthesis of natural and bioactive compounds.
Syllabus
Fundamental aspects in organic synthesis: metal-assisted cross-coupling reactions, asymmetric organocatalysis, green chemistry, retrosynthetic analysis.
Key reactions in organometallic chemistry such as transmetalation, oxidative addition, and reductive elimination as well as the role of different types of ligands will be discussed. Recent advances of Negishi, Stille, Suzuki, Sonogashira and Buchwald-Hartwig reactions will be described.Principle of organocatalysis, amino and amino-derivatized catalysis in the asymmetric synthesis and related reaction mechanisms. Recent advances of imino/enamine catalytic reactions and hydrogen bonding mediated reactions.
Selected principles of green chemistry, prevention of waste; development of atom economy; design and development of safe chemicals; usage of safe solvents and auxiliary substances. Use of catalytic reagents in organic synthesis: examples and applications of homogenous and heterogeneous catalysts in the preparation of bioactive compounds. Biocatalysts.
Retrosynthetic analysis. Synthons and reagents. Group disconnections. Regio- and chemoselectivity. Useful reactions in total synthesis. Control of stereochemistry. Selected total synthesis.
modalità di accertamento finale: Verifica finale
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Advanced methodologies in organic chemistry: Case studies
data presunta: 01/2026 - tipologia: riconducibile al progetto formativo - modalità di erogazione: Ex-cathedra - numero ore: 2
docente del corso: Antonella Goggiamani qualifica: Professore affiliazione: Italiana
programma delle attività: The synthesis of nitrogen-fused polycyclic compounds has gained significant attention due to their diverse applications in pharmaceuticals and material science. Among the most efficient methods for constructing these structures are the copper-catalyzed 1,3-dipolar cycloaddition of organic azides and terminal alkynes (CuAAC) and direct C-H bond functionalization. CuAAC, often celebrated as a cornerstone of click chemistry, is renowned for its high efficiency, regiospecificity, and eco-friendly attributes, such as producing minimal waste and requiring fewer resources. Similarly, C-H bond activation allows for direct functionalization of otherwise inert bonds, enabling streamlined synthesis of complex heterocyclic frameworks. These approaches are particularly advantageous for synthesizing hybrid compounds incorporating quinoline, pyrroloquinoline, dihydroquinoline, and benzodiazepine motifs fused with triazole moieties. This lesson will explore the mechanistic underpinnings, sustainability benefits, and practical applications of these techniques, emphasizing their roles in accessing structurally diverse, nitrogen-rich heterocycles with enhanced efficiency and reduced environmental impact.
modalità di accertamento finale: Non prevista
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Advanced methodologies in organic chemistry: Case studies
data presunta: 01/2026 - tipologia: riconducibile al progetto formativo - modalità di erogazione: Ex-cathedra - numero ore: 2
docente del corso: Giancarlo Fabrizi qualifica: Professore affiliazione: Italiana
programma delle attività: The synthesis of indole derivatives via palladium-catalyzed reactions of propargylic compounds represents a highly versatile and efficient approach in organic chemistry. Propargylic compounds serve as key intermediates due to their ability to undergo diverse transformations under palladium catalysis, including cyclization reactions that facilitate the construction of both carbocyclic and heterocyclic systems. Notably, ethyl 3-(o-trifluoroacetamidoaryl)-1-propargylic carbonates, containing a nitrogen nucleophile in proximity to the propargylic moiety, are particularly valuable for synthesizing 2-substituted indoles. These intermediates allow for precise control over the substitution pattern by employing various external nucleophiles, such as amines, hydrides, soft carbanions, or boronic acids. This strategy offers significant flexibility in tailoring the structure of indole derivatives, which are widely recognized for their biological relevance and applications in pharmaceuticals. The lesson will delve into the mechanistic insights and practical utility of these palladium-catalyzed reactions in modern synthetic methodologies.
modalità di accertamento finale: Non prevista
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Advanced strategies in drug discovery
data presunta: 02/2026 - tipologia: riconducibile al progetto formativo - modalità di erogazione: Ex-cathedra - numero ore: 8
docente del corso: Domiziana Masci qualifica: Ricercatore affiliazione: Italiana
programma delle attività: Learning outcomes
This course prepares students for careers in pharmaceutical research, biotechnology, and academic research by equipping them with advanced skills and knowledge in drug discovery methodologies and strategic decision-making.
By the end of this course, students will be able to:
Comprehend and explain the entire drug discovery pipeline, including target identification, lead discovery, optimization, and preclinical evaluation.
Utilize advanced techniques in drug discovery such as high-throughput screening, structure-based drug design, and computational modeling to identify and develop potential drug candidates.
Analyze the role of cutting-edge technologies like CRISPR, artificial intelligence (AI), and machine learning (ML) in revolutionizing drug discovery.
Identify and assess the challenges, limitations, and ethical considerations in the drug discovery process, including translational barriers and regulatory requirements.
Formulate strategic approaches for a hypothetical drug discovery project, demonstrating an ability to select appropriate methodologies and technologies at each stage.
Syllabus
Introduction to drug discovery and development:
Overview of the drug discovery pipeline: stages and strategies.
Key challenges and considerations in modern drug discovery.
Historical advances and recent trends in therapeutic areas and modalities.
Lead discovery and optimization:
High-throughput screening (HTS) and high-content screening (HCS).
Fragment-based drug discovery (FBDD) and lead generation techniques.
Hit-to-lead optimization: physicochemical properties, potency, and selectivity.
Drug repositioning, principles and challenges, case studies.
Undruggable targets and multispecific drugs (sequentially obligate multispecific drugs, matchmakers, PROTAC).
Hit triage and prioritization: physicochemical and substructure filters; PAINS.
Structure-Based Drug Design and Computational Approaches:
Structure-based drug design (SBDD) and virtual screening techniques.
Computational approaches: molecular docking, dynamics, and quantitative structure-activity relationships (QSAR).
Machine learning and AI applications in drug discovery: predictions, analysis, and pattern recognition.
modalità di accertamento finale: Verifica finale
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Advanced strategies in drug discovery: Case studies
data presunta: 02/2026 - tipologia: riconducibile al progetto formativo - modalità di erogazione: Ex-cathedra - numero ore: 2
docente del corso: Giovanna Poce qualifica: Professore affiliazione: Italiana
programma delle attività: Analysis of successful drug discovery projects, from early stage to market:
Decision-making processes, methods used to overcome scientific, regulatory, or financial challenges, and approaches for market positioning. By dissecting these projects, it becomes possible to identify key success factors, such as technological innovation, effective multidisciplinary collaboration, efficient development timelines, and the application of predictive models for market success.
Failed drug case studies: lessons learned and implications:
The analysis can include scientific issues, such as lack of efficacy or unforeseen adverse effects, as well as challenges related to economics, flawed strategic decisions, or regulatory setbacks. The lessons learned from these cases can significantly enhance the efficiency and effectiveness of the drug development pipeline.
modalità di accertamento finale: Non prevista
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Advanced strategies in drug discovery: Case studies
data presunta: 02/2026 - tipologia: riconducibile al progetto formativo - modalità di erogazione: Ex-cathedra - numero ore: 2
docente del corso: Paolo Guglielmi qualifica: Professore affiliazione: Italiana
programma delle attività: Artificial Intelligence (AI) in accelerating and improving drug discovery:
Key AI applications such as target identification and validation, where AI algorithms can analyze vast datasets to identify novel drug targets and predict their potential efficacy.
AI can optimize clinical trial design:
Predict patient outcomes, and identify potential safety issues.
Examples of AI-driven drug approvals will be presented, such as INS018_055 di Insilico Medicine etc.
modalità di accertamento finale: Non prevista
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Advanced Mass spectrometry for structural elucidation
data presunta: 06/2026 - tipologia: riconducibile al progetto formativo - modalità di erogazione: Ex-cathedra - numero ore: 8
docente del corso: Davide Corinti qualifica: Professore affiliazione: Italiana
programma delle attività: Learning outcomes
Main goals of this course are:
To provide an introduction to mass spectrometry and its hyphenated techniques (Ion Mobility, MALDI imaging, CID, UVPD, etc.).
To demonstrate and discuss applications of MS and related techniques in biological, pharmaceutical and food chemistry.
At the end of the course, students should be able to:
Understand the basic concepts of mass spectrometry and related techniques.
Demonstrate an understanding of how and why mass spectrometry can be applied to life sciences;
Critically assess current literature on mass spectrometry analyses.
Syllabus
Introduction to mass spectrometry.
Ion sources (ESI, APCI, MALDI, APPI) and their application in life sciences.
Ion activation methods (CID, UVPD, IRPD, EXD) with examples Ion mobility-MS and its use for complex biological matrices and native mass spectrometry of biomolecular ions.
MALDI imaging for clinical diagnosis and analysis of biological tissues.
modalità di accertamento finale: Verifica finale
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Advanced Mass spectrometry for structural elucidation: Case studies
data presunta: 06/2026 - tipologia: riconducibile al progetto formativo - modalità di erogazione: Ex-cathedra - numero ore: 2
docente del corso: Barbara Chiavarino qualifica: Professore affiliazione: Italiana
programma delle attività: The aim of this seminar is to provide an in-depth understanding of the application of infrared multiple photon dissociation (IRMPD) action spectroscopy, a powerful tool used to probe vibrational modes – and, by extension, gain structural insights – of an ion or an ion-molecule complex, mass-isolated within an ion trap mass spectrometer. The fundamentals and instrumentation of IRMPD spectroscopy will be briefly illustrated.
A significant part of the module will be dedicated to presenting an overview of the results, applications and usefulness of IRMPD technique. We will examine how IRMPD action spectroscopy can be used to obtain valuable structural information on ions of fundamental, biological, and pharmaceutical importance. Recent advancements in its application to mass spectrometry-based metabolomics analysis will also be explored.
modalità di accertamento finale: Non prevista
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Advanced analytical techniques for structural elucidation
data presunta: 07/2026 - tipologia: riconducibile al progetto formativo - modalità di erogazione: Ex-cathedra - numero ore: 8
docente del corso: Giulia Mazzoccanti qualifica: Ricercatore affiliazione: Italiana
programma delle attività: Learning outcomes
This course is designed to provide participants with a comprehensive understanding of separation science:
Gain in-depth knowledge of advanced separation techniques, with a focus on ultra-high-performance chromatography (UHPC) and explore the meaning of chromatographic parameters. Understand the thermodynamic significance of the retention factor and selectivity and delve into the concept of kinetics in chromatography.
Acquire specialized skills in separating chiral molecules, understanding the principles and applications of chiral chromatography, and exploring advanced methods for resolving enantiomers.
Explore techniques specific to the separation of (bio)pharmaceuticals, including protein and peptides. Investigate the challenges associated with detecting impurities in therapeutic peptides, especially considering minimal modifications, such as epimers, which pose challenges in both molecular structure and isobaric nature.
Understand advanced multidimensional liquid chromatography (such as bidimensional chromatography 2D-LC) techniques tailored for the analysis of complex mixtures. Delve into the synergistic benefits of coupling different separation dimensions.
Syllabus
Introduction to Ultra-High-Performance Chromatography (UHPC).
Understanding the Thermodynamics of Retention Factor and Selectivity.
Introduction to Chromatographic Kinetics (Efficiency).
Principles and Applications of Chiral Chromatography.
Techniques for Separating Chiral Molecules.
Advanced Methods for Resolving Enantiomers.
Specific Techniques for Separating Proteins and Peptides.
Challenges in Detecting Impurities in Therapeutic Peptides (e.g., epimers).
Introduction to Multidimensional Liquid Chromatography.
In-depth Exploration of Bidimensional Chromatography (2D-LC).
modalità di accertamento finale: Verifica finale
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Advanced analytical techniques for structural elucidation: Case studies
data presunta: 07/2026 - tipologia: riconducibile al progetto formativo - modalità di erogazione: Ex-cathedra - numero ore: 2
docente del corso: Alessia Ciogli qualifica: Professore affiliazione: Italiana
programma delle attività: Dynamic high/ultra-high performance liquid chromatography (D-HPLC and D-UHPLC) on enantioselective stationary phases represents a well-established technique to investigate chiral molecules with internal motions that result in stereoinversion (trough stereogenic centers, axes and their combination). Two requirements are necessary to identify configurational and/or conformational stereoisomers by D-HPLC: i) selectivity of the stationary phase towards the investigated compounds and ii) stereoinversion process occurring at the time scale of the separation. Kinetic parameters for the on-column interconversion phenomena can be extracted from experimental peak profiles by computer simulation or by direct calculation methods. The technique has been used in a wide range of temperatures and it is complementary to the off-column racemization experiments and to the dynamic NMR spectroscopy. Basic principles on enantioselective HPLC and D-HPLC will be presented together with the selected examples of interest in organic and medicinal chemistry.
modalità di accertamento finale: Non prevista
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