Predicting the biology of small molecules via an integrated structural and chemoinformatic approach.

In questa tesi studiamo l'uso di metodi di machine- e deep learning in diverse aree della fase iniziale della scoperta di farmaci, tra cui la previsione dei target, l'identificazione della modalità d'azione di un farmaco e la progettazione de novo. In particolare, abbiamo combinato tali algoritmi con la modellazione basata sulla struttura, per integrare conoscenze complementari di chimica e fisica nei nostri modelli. Inizialmente, abbiamo concentrato la nostra attenzione sulla salute umana, v...

ARILAZO SOLFONI COME SUBSTRATI FOTOATTIVABILI IN REAZIONI SENZA METALLI E FOTOCATALIZZATORI

Lo sviluppo di metodologie sintetiche selettive, efficienti e sostenibili rimane un obiettivo centrale della chimica organica moderna. Sotto irraggiamento con luce blu, gli arilazo solfoni offrono un’importante strategia, prestandosi come precursori di radicali solfonilici, diazinilici o arilici senza la necessità di metalli o (foto)catalizzatori. Questa tesi ne esplora l’applicazione nella 1,2-difunzionalizzazione di legami multipli C–C: inizialmente per carboeterificazioni a tre componenti ...

Equivariant Asymptotics on Grauert Tubes Boundaries

Immune responses to SARS-CoV-2: characterization of NK cells following vaccination and virus-specific T cells in the nasal mucosa

The global COVID-19 pandemic has highlighted the urgent need to understand the mechanisms of protective immunity against SARS-CoV-2. While humoral responses have been investigated by various research groups and several clinical trials, important properties of innate and mucosal immunity in shaping protection have remained underexplored. Indeed, emerging evidence has shown the involvement of Natural Killer (NK) cells in both the induction and effector phases of vaccine-induced immunity. Simila...

MUSCULAR AND METABOLIC CONSEQUENCES OF PROLONGED PHYSICAL INACTIVITY AND SUBSEQUENT RETRAINING

Physical inactivity, ranging from modest reductions in daily activity to severe disuse models such as bed rest, induces rapid and profound impairments in cardiovascular, muscular, and metabolic function. This thesis investigated the integrative effects of inactivity on skeletal muscle oxidative capacity, oxygen transport, and metabolic regulation, further exploring the potential of exercise training to restore these functions. Using horizontal bed rest study design, we assessed the effect of ...

Skeletal Muscle Bioenergetics in Ageing and Chronic Disease: Insights from Longitudinal and Interventional Studies

Over the past century, global life expectancy has risen markedly. This has been accompanied by an increased prevalence of age-related disorders and functional decline. One of the key manifestations of ageing is the deterioration of skeletal muscle, characterized by losses in mass, strength, and power, as well as a decline in aerobic capacity. Mitochondria play a critical role in regulating aerobic capacity; however, the extent to which ageing directly affects these organelles remains debated,...

Higher Gaussian maps for special classes of curves

The main task of the thesis is the computation of the rank of higher Gaussian maps for special classes of smooth projective curves. First, we study even order higher Gaussian maps of the canonical bundle on hyperelliptic curves and we determine their rank, giving explicit descriptions of their kernels. Then we use this descriptions to investigate the hyperelliptic Torelli map $ and its second fundamental form. We study isotropic subspaces of the tangent space to the moduli space of hyperell...

Galois closure and Lagrangian surfaces

Projective Structures and Theta Functions

This thesis studies two new projective structures on a compact Riemann surfaces, obtained from Jacobian and Prym varieties. The first is the Theta Projective Structure, denoted βθ, constructed canonically for any curve C by pulling back a specific line of sections from the canonical bundle 2Θ on the Jacobian variety J(C) via the difference map ϕ(p,q) = OC(p−q). The second is the Prym Projective Structure, βP, built by applying the same principle to the Prym variety of an ´etale double cover...