Organic molecules in interstellar space are important as they influence the structure of galaxies and star formations. Studying catalytic processes in space allows us to understand how molecular... Show moreOrganic molecules in interstellar space are important as they influence the structure of galaxies and star formations. Studying catalytic processes in space allows us to understand how molecular species are formed and chemically evolved in the interstellar medium and solar system objects. Quantum chemical methods, such as “Density Functional Theory” (DFT), can be employed to study the chemical pathways for the formation of molecular species, which is challenging with only observations and experiments. This thesis studies, with DFT methods, how polycyclic aromatic hydrocarbons (PAHs), the most abundant organic species in space, catalyze the formation of molecular hydrogen in the interstellar medium. Specifically, how linear PAHs become superhydrogenated and how the presence of Stone Wales defect in PAHs contributes to their catalytic activity for molecular hydrogen formation. In addition, this thesis reports the study of the catalytic activity of forsterite, a silicate mineral abundant in grains, asteroids, and meteorites. Specifically, the presence of Schottky MgO vacancy in forsterite can catalyze the C-H activation of PAHs as the first step to study the breakdown reaction of PAHs in asteroidal settings. The latter is indispensable to understand the formation of the so-called organic inventory of solar system objects. Show less
Bone morphogenetic proteins (BMPs) are multifunctional regulators in embryonic development and tissue homeostasis. Disruptions in BMP signaling lead to various diseases, such as skeletal diseases,... Show moreBone morphogenetic proteins (BMPs) are multifunctional regulators in embryonic development and tissue homeostasis. Disruptions in BMP signaling lead to various diseases, such as skeletal diseases, vascular diseases and cancer. Studies in this thesis mainly focused on the role of BMP signaling in disease contexts, and the identification of possible novel treatments for fibrodysplasia ossificans progressiva (FOP) and pulmonary arterial hypertension (PAH) based on the understanding of the disease pathology. Show less
Polycyclic Aromatic Hydrocarbons (PAHs) are one of the most common chemical compounds on Earth. These big molecules are naturally present in crude oil and coal deposits, and are also formed by... Show morePolycyclic Aromatic Hydrocarbons (PAHs) are one of the most common chemical compounds on Earth. These big molecules are naturally present in crude oil and coal deposits, and are also formed by incomplete combustion of carbon-containing fuels, hence they are found in car exhaust, cigarette smoke and (too) well-cooked meats. This makes PAHs one of the most widespread organic pollutants. In space, PAHs are an important and ubiquitous component of the Interstellar Medium, dominating the mid-infrared emission of many astronomical objects. However, very little is known about the destiny of PAHs when they are bombarded by high-velocity ions and electrons arising from interstellar shocks, hot gas and cosmic rays (CRs). The research described in this thesis shows that in shocks with velocities above 100 km/s and in a million-degree gas, PAHs are completely destroyed by collisions with electrons, and can survive only if isolated in denser clouds. Destruction by CRs is due to collisions with ions. Because of their high energy (5 MeV - 10 GeV) CRs can access these denser clouds and will set the lifetime of those protected PAHs, which can be used as a __dye__ for tracing the presence of material entrained in the hot gas. Show less
