Un Sistema per la Valutazione di Proprietà Molecolari Basato su Reti Neurali per Grafi

Sviluppo di una libreria per il learning di modelli contestuali NN4G volta alla creazione di uno strumento di supporto alla cheminformatics per la valutazione di risultati predittivi in ambito tossicologic

Analysis and development of the Bees Algorithm for primitive fitting in point cloud models

This work addresses the problem of fitting a geometrical primitive to a point cloud as a numerical optimisation problem. Intelligent Optimisation Techniques like Evolutionary Algorithms and the Bees Algorithm were here adapted to select the most fit primitive out of a population of solutions, and the results compared. The necessity of understanding the dynamics of the Bees Algorithm to improve its performances and applicability led to an in-depth analysis of its key parts. A new mathematical definition of the algorithm led to the discovery and formalisation of several properties, many of which provided a mathematical answer to behaviours so far only observed in empirical tests. The implications of heuristics commonly used in the Bees Algorithm, like site abandonment and neighbourhood shrinking, were statistically analysed. The probability of a premature stalling of the local search at a site has been quantified under certain conditions. The effect of the choice of shape for the local neighbourhood on the exploitative search of the Bees Algorithm was analysed. The study revealed that this commonly overlooked aspect has profound consequences on the effectiveness of the local search, and practical applications have been suggested to address specific search problems. The results of the primitive fitting study, and the analysis of the Bees Algorithm, inspired the creation of a new algorithm for problems where multiple solutions are sought (multi-solution optimisation). This new algorithm is an ex- tension of the Bees Algorithm to multi-solution optimisation. It uses topological information on the search space gathered during the cycles of local search at a site, which is normally discarded, to alter the fitness function. The function is altered to discourage further search in already explored regions of the fitness landscape, and force the algorithm to discover new optima. This new algorithm found immediate application on the multi-shape variant of the primitive fitting problem. In a series of experimental tests, the new algorithm obtained promising results, showing its ability to find many shapes in a point cloud. It also showed its suitability as a general technique for the multi-solution optimisation problem

Pulsating Heat pipe only for Space (PHOS): Results of the REXUS 18 sounding rocket campaign

Two Closed Loop Pulsating Heat Pipes (CLPHPs) are tested on board REXUS 18 sounding rocket in order to obtain data over a relatively long microgravity period (approximately 90 s). The CLPHPs are partially filled with FC-72 and have, respectively, an inner tube diameter larger (3 mm) and slightly smaller (1.6 mm) than the critical diameter evaluated in static Earth gravity conditions. On ground, the small diameter CLPHP effectively works as a Pulsating Heat Pipe (PHP): the characteristic slug and plug flow pattern forms inside the tube and the heat exchange is triggered by thermally driven self-sustained oscillations of the working fluid. On the other hand, the large diameter CLPHP works as a two- phase thermosyphon in vertical position and doesn't work in horizontal position: in this particular condition, the working fluid stratifies within the device as the surface tension force is no longer able to balance buoyancy. Then, the idea to test the CLPHPs in reduced gravity conditions: as the gravity reduces the buoyancy forces becomes less intense and it is possible to recreate the typical PHP flow pattern also for larger inner tube diameters. This allows to increase the heat transfer rate and, consequently, to decrease the overall thermal resistance. Even though it was not possible to experience low gravity conditions due to a failure in the yoyo de-spin system, the thermal response to the peculiar acceleration field (hyper-gravity) experienced on board are thoroughly described

U-PHOS Project: Development of a Large Diameter Pulsating Heat Pipe Experiment on board REXUS 22

U-PHOS Project aims to analyse and characterise the behaviour of a large diameter Pulsating Heat Pipe (PHP) on board REXUS 22 sounding rocket. A PHP is a passive thermal control device consisting of a serpentine capillary tube, evacuated, partially filled with a working fluid and finally sealed. In this configuration, the liquid and vapour phases are randomly distributed in the form of liquid slugs and vapour plugs. The heat is efficiently transported by means of the self-sustained oscillatory fluid motion driven by the phase change phenomena. On ground conditions, a small diameter is required in order to obtain a confined slug flow regime. In milli-gravity conditions, buoyancy forces become less intense and the PHP diameter may be increased still maintaining the slug/plug flow configuration typical of the PHP operation. Consequently, the PHP heat power capability may be increased too. U-PHOS aims at proving that a Large Diameter PHP effectively works in milli-g conditions by characterizing its thermal response during a sounding rocket flight. The actual PHP tube is made of aluminum (3 mm inner diameter, filled with FC-72), heated at the evaporator by a compact electrical resistance, cooled at the condenser by a Phase Change Material (PCM) embedded in a metallic foam. The tube wall temperatures are recorded by means of Fibre Bragg Grating (FBG) sensors; the local fluid pressure is acquired by means of a pressure transducer. The present work intends to report the actual status of the project, focusing in particular on the experiment improvements with respect to the previous campaign

Clinical Features, Cardiovascular Risk Profile, and Therapeutic Trajectories of Patients with Type 2 Diabetes Candidate for Oral Semaglutide Therapy in the Italian Specialist Care

Introduction: This study aimed to address therapeutic inertia in the management of type 2 diabetes (T2D) by investigating the potential of early treatment with oral semaglutide. Methods: A cross-sectional survey was conducted between October 2021 and April 2022 among specialists treating individuals with T2D. A scientific committee designed a data collection form covering demographics, cardiovascular risk, glucose control metrics, ongoing therapies, and physician judgments on treatment appropriateness. Participants completed anonymous patient questionnaires reflecting routine clinical encounters. The preferred therapeutic regimen for each patient was also identified. Results: The analysis was conducted on 4449 patients initiating oral semaglutide. The population had a relatively short disease duration (42%  60% of patients, and more often than sitagliptin or empagliflozin. Conclusion: The study supports the potential of early implementation of oral semaglutide as a strategy to overcome therapeutic inertia and enhance T2D management

Illustrating and homology modeling the proteins of the Zika virus

The Zika virus (ZIKV) is a flavivirus of the family Flaviviridae, which is similar to dengue virus, yellow fever and West Nile virus. Recent outbreaks in South America, Latin America, the Caribbean and in particular Brazil have led to concern for the spread of the disease and potential to cause Guillain-Barré syndrome and microcephaly. Although ZIKV has been known of for over 60 years there is very little in the way of knowledge of the virus with few publications and no crystal structures. No antivirals have been tested against it either in vitro or in vivo. ZIKV therefore epitomizes a neglected disease. Several suggested steps have been proposed which could be taken to initiate ZIKV antiviral drug discovery using both high throughput screens as well as structure-based design based on homology models for the key proteins. We now describe preliminary homology models created for NS5, FtsJ, NS4B, NS4A, HELICc, DEXDc, peptidase S7, NS2B, NS2A, NS1, E stem, glycoprotein M, propeptide, capsid and glycoprotein E using SWISS-MODEL. Eleven out of 15 models pass our model quality criteria for their further use. While a ZIKV glycoprotein E homology model was initially described in the immature conformation as a trimer, we now describe the mature dimer conformer which allowed the construction of an illustration of the complete virion. By comparing illustrations of ZIKV based on this new homology model and the dengue virus crystal structure we propose potential differences that could be exploited for antiviral and vaccine design. The prediction of sites for glycosylation on this protein may also be useful in this regard. While we await a cryo-EM structure of ZIKV and eventual crystal structures of the individual proteins, these homology models provide the community with a starting point for structure-based design of drugs and vaccines as well as a for computational virtual screening

Experiments in Identification of Italian Temporal Expressions

SUMMARY. We describe our experiments in participating to the EV aluation of Events aNd Temporal Information(EVENTI) task, for the EVALITA 2014 evaluation campaign. We used the HeidelTime tagger extended with a wrapper for the Tanl POS tagger and tokenizer of the Tanl suite. The rules for recognizing Italian temporal expressions were rewritten and extended after the submission, leading to a 10 point increase in F1 over the Italian rules in the HeidelTime distribution. RIASSUNTO. Nell’articolo descriviamo gli esperimenti svolti per la nostra partecipazione al task EValuation of Events aNd Temporal Information(EVENTI), nel’ambito della campagna di valutazione EVALITA 2014. Per il riconoscimento e normalizzazione delle espresioni temporali abbiamo utilizzato il tagger HeidelTime, estendendolo con un wrapper per poter utilizzare il POS tagger e il tokenizer della suite di NLP Tanl. Le regole per il riconoscimento delle espressioni temporali in italiano sono state riscritte ed estese, dopo la sottomissione, ottenendo un miglioramento di 10 punti di F1 rispetto alle regole presenti nella distribuzione di HeidelTime