Synthesis and functionalization of a lactam-pyrazole molecular scaffold as a promising anticancer compound

The importance of pyrazole and lactam-based molecules in medical and pharmaceutical fields is underlined by the multitude of active ingredients on trade, such as Sildenafil or Apixaban, by Pfizer. In this work, a synthesis of an organic molecule with promising anticancer activity has been developed. This molecular scaffold is characterized by a δ-lactam-fused pyrazolic core, with a well-known biological activity and amenable of further functionalization. The synthetic strategy adopted for the obtainment of the core was based on a 1,3-dipolar cycloaddition of a nitrilimine with an α,β-unsaturated δ-lactam. Secondly, in order to give the final compound an elevated pharmacological activity, a functionalization with a double “side chain”, namely molecular fragment able to improve the interaction with particular biological receptors, was achieved. The target compound was thus obtained, with a highly convergent synthesis, and will be tested for antiproliferative activities towards different cellular lines.

The molecular gas content of star-forming galaxies in the ALPINE fields.

In this thesis, I aim to study the evolution with redshift of the gas mass fraction of a sample of 53 sources (from z ∼ 0.5 to z > 5) serendipitously detected in ALMA band 7 as part of the ALMA Large Program to INvestigate C II at Early Times (ALPINE). First, I used SED-fitting software CIGALE, which is able to implement energy balancing between the optical and the far infrared part, to produce a best-fit template of my sources and to have an estimate of some physical properties, such as the star formation rate (SFR), the total infrared luminosity and the total stellar mass. Then, using the tight correlation found by Scoville et al. (2014) between the ISM molecular gas mass and the rest-frame 850 μm luminosity, I used the latter, extrapolating it from the best-fit template using a code that I wrote in Python, as a tracer for the molecular gas. For my sample, I then derived the most important physical properties, such as molecular gas mass, gas mass fractions, specific star formation rate and depletion timescales, which allowed me to better categorize them and find them a place within the evolutionary history of the Universe. I also fitted our sources, via another code I wrote again in Python, with a general modified blackbody (MBB) model taken from the literature (Gilli et al. (2014), D’Amato et al. (2020)) to have a direct method of comparison with similar galaxies. What is evident at the end of the paper is that the methods used to derive the physical quantities of the sources are consistent with each other, and these in turn are in good agreement with what is found in the literature.

Studying the alignment of 5-cyanobiphenyl on a polydimethylsiloxane surface through Molecular Dynamics simulations

For 40 years, at the University of Bologna, a group of researchers coordinated by professor Claudio Zannoni has been studying liquid crystals by employing computational techniques. They have developed effective models of these interesting, and still far from being completely understood, systems. They were able to reproduce with simulations important features of some liquid crystal molecules, such as transition temperature. Then they focused their attention on the interactions that these molecules have with different kinds of surface, and how these interactions affect the alignment of liquid crystals. The group studied the behaviour of liquid crystals in contact with different kinds of surfaces, from silica, either amorphous and crystalline, to organic self assembled monolayers (SAMs) and even some common polymers, such as polymethylmethacrylate (PMMA) and polystyrene (PS). Anyway, a library of typical surfaces is still far from being complete, and a lot of work must be done to investigate the cases which have not been analyzed yet. A hole that must be filled is represented by polydimethylsiloxane (PDMS), a polymer on which the interest of industry has enormously grown up in the last years, thanks to its peculiar features, allowing it to be employed in many fields of applications. It has been observed experimentally that PDMS causes 4-cyano-4’-pentylbiphenyl (well known as 5CB), one of the most common liquid crystal molecules, to align homeotropically (i.e. perpendicular) with respect to a surface made of this polymer. Even though some hypothesis have been presented to rationalize the effect, a clear explanation of this phenomenon has not been given yet. This dissertation shows the work I did during my internship in the group of professor Zannoni. The challenge that I had to tackle was to investigate, via Molecular Dynamics (MD) simulations, the reasons of 5CB homeotropic alignment on a PDMS surface, as the group had previously done for other surfaces.

Estimation of the ephemerides and gravity fields of the Galilean moons through orbit determination of the JUICE mission

Jupiter and its moons are a complex dynamical system that include several phenomenon like tides interactions, moon's librations and resonances. One of the most interesting characteristics of the Jovian system is the presence of the Laplace resonance, where the orbital periods of Ganymede, Europa and Io maintain a 4:2:1 ratio respectively. It is interesting to study the role of the Laplace Resonance in the dynamic of the system, especially regarding the dissipative nature of the tidal interaction between Jupiter and its closest moon, Io. Numerous theories have been proposed regarding the orbital evolution of the Galilean satellites, but they disagree about the amount of dissipation of the system, therefore about the magnitude and the direction of the evolution of the system, mainly because of the lack of experimental data. The future JUICE space mission is a great opportunity to solve this dispute. JUICE is an ESA (European Space Agency) L-class mission (the largest category of missions in the ESA Cosmic Vision) that, at the beginning of 2030, will be inserted in the Jovian system and that will perform several flybys of the Galilean satellites, with the exception of Io. Subsequently, during the last part of the mission, it will orbit around Ganymede for nine months, with a possible extension of the mission. The data that JUICE will collect during the mission will have an exceptional accuracy, allowing to investigate several aspects of the dynamics the system, especially, the evolution of Laplace Resonance of the Galilean moons and its stability. This thesis will focus on the JUICE mission, in particular in the gravity estimation and orbit reconstruction of the Galilean satellites during the Jovian orbital phase using radiometric data. This is accomplished through an orbit determination technique called multi-arc approach, using the JPL's orbit determination software MONTE (Mission-analysis, Operations and Navigation Tool-kit Environment).

Competition between boson condensation and molecule formation in 2D Bose-Fermi mixtures with a pairing interaction

The study of ultra-cold atomic gases is one of the most active field in contemporary physics. The main motivation for the interest in this field consists in the possibility to use ultracold gases to simulate in a controlled way quantum many-body systems of relevance to other fields of physics, or to create novel quantum systems with unusual physical properties. An example of the latter are Bose-Fermi mixtures with a tunable pairing interaction between bosons and fermions. In this work, we study with many-body diagrammatic methods the properties of this kind of mixture in two spatial dimensions, extending previous work for three dimensional Bose-Fermi mixtures. At zero temperature, we focus specifically on the competition between boson condensation and the pairing of bosons and fermions into molecules. By a numerical solution of the main equations resulting by our many-body diagrammatic formalism, we calculate and present results for several thermodynamic quantities of interest. Differences and similarities between the two-dimensional and three-dimensional cases are pointed out. Finally, our new results are applied to discuss a recent proposal for creating a p-wave superfluid in Bose-Fermi mixtures with the fermionic molecules which form for sufficiently strong Bose-Fermi attraction.

Neural Radiance Fields for Relighting and View Synthesis

Neural scene representation and neural rendering are new computer vision techniques that enable the reconstruction and implicit representation of real 3D scenes from a set of 2D captured images, by fitting a deep neural network. The trained network can then be used to render novel views of the scene. A recent work in this field, Neural Radiance Fields (NeRF), presented a state-of-the-art approach, which uses a simple Multilayer Perceptron (MLP) to generate photo-realistic RGB images of a scene from arbitrary viewpoints. However, NeRF does not model any light interaction with the fitted scene; therefore, despite producing compelling results for the view synthesis task, it does not provide a solution for relighting. In this work, we propose a new architecture to enable relighting capabilities in NeRF-based representations and we introduce a new real-world dataset to train and evaluate such a model. Our method demonstrates the ability to perform realistic rendering of novel views under arbitrary lighting conditions.