Didattica 2019/2020

Determination of protein structure and dynamic by NMR spectroscopy

For further information, please contact: Prof.ssa Daniela Valensin


Nuclear NMR spectroscopy is widely used to determine structural and dynamic properties of proteins. In this course, the basic NMR approach used for structure calculation will be discussed. Both theoretical and practical aspects of 2D and 3D NMR spectra will be presented. The advantages and disadvantages of this technique will be considered as well.

Post HF Methods: Multiconfigurational and Perturbative Methods

For further information, please contact: Prof. Luca De Vico


Course Content

The course will start a brief re-cap of the Hartree-Fock (HF) method, mostly to put all students on the same page and familiarize with a common way of expressing equations.
The pitfalls of HF will be illustrated, and consequently the possible solution offered by Multiconfigurational Self-Consistent Field (MC-SCF) methods will be introduced and described. Among MC-SCF methods, we will focus mostly on CASSCF and RASSCF methods. We will see how it is possible to use MC-SCF methods to describe not ground state, but also electronically excited states of molecular systems.
Finally, we will see how MC-SCF methods necessitate an ulterior refinement to be able to predict correctly electronic state energy differences, that is to simulate absorption spectra in the UV-VIS. Perturbative methods will be described, in particular CASPT2, MS-CASPT2 and XMS-CASPT2.
A brief hands-on experience will conclude the course. During these exercises the student will use their own laptop to access the Department computational resources and perform a series of calculations to employ and  compare the various techniques described during the course.

Life Cycle Assessment: Methodology and application for energy and chemical processes

For further information, please contact: Prof.ssa Maria Laura Parisi


Course content

The course will illustrate the fundamental concepts concerning sustainability and the interaction of industrial and environmental systems. Focusing on the basic principles of the Life Cycle Assessment, the course will provide  insight of the methodological aspects underlying the implementation of an environmental footprint calculation of products and processes, also through practice exercises.
The course will take place in the second half of May 2020. The foreseen timetable would be organized with lessons twice a week, to be agreed upon with students.

Structure, function and interactions of proteins

For further information, please contact Prof.ssa Cecilia Pozzi


Course content

The four levels in the protein structure. Post-translational modifications and their role.
Mechanisms of enzymatic reactions and mechanisms of inhibition. Metallo-proteins.
Structural and functional role of metals in metallo-enzymes. Protein synthesis in prokaryotes. Protein synthesis in eukaryotes.
Main features of protein-protein interactions (PPIs), functional and structural implications.
Main features of protein-DNA and protein-RNA interactions. Structures of ribosomes and functional mechanisms in protein synthesis. Main characteristics of membrane proteins, channels and receptors.

Chemical sensors and biosensors

The course will be held in the period march-june 2020.

For more information, please contact Dott. Marco Consumi



Course Content

Definitions, theoretical background, components of a sensing system.

Transducers: electrochemical, optical, thermal and mass transducers.

Receptor part: mechanism of chemical and biological recognition;

Sensor analytical performance;

Ion‐selective electrodes (ISEs);

Optical sensors and biosensors: techniques of optical detection, absorptiometry, UV‐visible absorption spectroscopy; reflectometry, luminescence spectroscopy, light scattering techniques, direct and indirect methods, indicator-based systems.

Mass and thermal sensors: piezo‐electric effect, surface acoustic waves, thermal sensors. Application of chemical sensors and biosensors: industrial processes, environmental and biomedical applications.

Analytical determination of nutraceutical components in food matrices - Dott.ssa Gabriella Tamasi

The course will be held from March 2020 and will last 24 hours.

For more information, please contact Dr Gabriella Tamasi


Course content:

The course aims to present an up-to-date overview on the forefront analytical methods for characterizing food matrices, particularly vegetables, as regards antioxidant and bioactive components. The first part will be dedicated to classify the main families of bioactive minor components in foods/vegetables (polyphenols, terpenoids, glycoalkaloids, lignans, …). Then, the main analytical techniques to identify and quantify the nutraceutical species will be investigated. Both targeted and untargeted approaches will be discussed. Statistic and chemiometric tools will be proposed to address cultivar and geographical characterizations. The course will also aim to explore new research challenges in food quality and safety control, valorization of production chain (from the fields to the market) and valorization of agricultural and agro-industrial by-products. Innovation in extraction protocols will be also investigated.