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Computational approaches to the study of chalcogen bonding interactions
No full textThe chalcogen bond (ChB) is acknowledged as a significant noncovalent interaction that occurs between an electron-deficient chalcogen atom (donor) and a Lewis base (acceptor). The deep understanding of this interaction remains a subject of debate, with interpretations ranging from a charge-transfer (CT) model, which suggests a polarized covalent character, to the so-called σ-hole model, which implies a predominantly electrostatic interaction. Over the past decades, various computational approaches and theoretical models have been employed to elucidate the nature of ChBs, often aiming at quantifying the different contributions - such as orbital, electrostatic, and dispersion forces - to the overall interaction energy. In this review, we present a comparative analysis of the computational approaches used to describe chalcogen bonding interactions, their consistency with experimental evidence, and an overview of the model systems investigated
The adoption of the Metaverse in cultural tourism: Immersive experience or wishful thinking?
No full textPopulation, macroeconomic variables, quality of life, and interprovincial migration of Italians and foreigners
No full textWe study Italian interprovincial migration flows, analysing total migrants, Italians and foreigners separately. Along with traditional gravity variables, we introduce a quality-of-life index. The results show distinct and heterogeneous effects of migration determinants across national groups and different internal migration corridors. Foreigners exhibit higher mobility and respond more strongly to labour market differentials compared with Italians. We find that the influence of quality of life varies between Italians and foreigners, and across different migration corridors. We frame our analysis inside a theoretically grounded gravity model and apply the common correlated effect panel data estimator to account for multilateral resistance to migration
Protecting white Carrara marble with organophosphorus salts: a case study of ammonium hydrogen phenylphosphonate
No full textAmmonium hydrogen phenylphosphonate (1) was investigated as a novel agent for the protection and consolidation of carbonate stone substrates. Compound 1 quantitatively reacted with calcium carbonate to give calcium phenylphosphonate dihydrate (2), which was characterized by spectroscopic and microanalytical means and whose structure was solved using 3D electron diffraction. Compound 1 was applied to artificially weathered Statuario white Carrara marble mock-ups through immersion, brushing, and spraying techniques, and its effect on structural, hygric, and mechanical properties was evaluated by means of a comprehensive set of techniques, including X-ray diffraction, ultrasonic velocity measurements, colorimetry, porosimetry, and contact angle measurements. While the application of well-known diammonium hydrogen phosphate (DAP) on carbonate stones results in the deposition of non-stoichiometric hydroxyapatite (HAP), the treatment with compound 1 results in the formation of a thin, homogeneous coating of stoichiometric compound 2 that enhances cohesion, reduces porosity, and improves mechanical resistance, restoring the marble properties to near-pristine conditions. The treatment induces only minimal chromatic changes, making it a promising solution for the conservation of stone cultural heritage
Daridorexant and Insomnia in Clinical Practice: A Nominal Group Technique Consensus Study among Italian Sleep and Insomnia Experts
No full textIntroduction: Chronic insomnia disorder significantly affects cognitive, emotional, and physical health. Recently, the dual orexin receptor antagonist (DORA) daridorexant was approved for treating chronic insomnia in several countries. Given the limited evidence available, expert consensus was sought to clarify key clinical issues, inform practice, and guide future research. Methods: Thirteen Italian sleep experts employed the Nominal Group Technique (NGT) to identify and rank important clinical questions. The process involved independent thought generation, group discussion, and online voting using a 5-point Likert scale. Results: The NGT process resulted in 55 statements across five key clinical questions, with relevance scores guiding their categorization into three tiers. Key findings highlight daridorexant’s mechanism of action, safety profile, efficacy on night and day parameters, and suitability for long-term use. The experts emphasized cross-tapering strategies for switching from other hypnotics, the importance of sleep psychoeducation, and using the Insomnia Severity Index and sleep diaries for treatment evaluation. Discussion: Daridorexant may address insomnia without increasing sedation via its dual orexin receptor antagonism. Daridorexant seems to be effective and safe even in special patient populations, such as the elderly and those with comorbid conditions (neurodegenerative disorders and cognitive impairment, comorbid insomnia and sleep apnea, psychiatric conditions and mood disorders, epilepsy, and restless leg syndrome), thus representing a new, promising option for insomnia treatment. Conclusion: The expert consensus provides a comprehensive framework for daridorexant clinical application, advocating for further research to expand the evidence base and refine best practices, as well as underscoring the importance of a multidisciplinary approach that combines both pharmacological and psychosocial interventions to optimize outcomes
Morienti cuncta supersunt. Archeologia funeraria e modelli di interazione culturale nella Sardegna meridionale tra età punica ed età romana: il caso della necropoli di Mitza de Siddi di Ortacesus (SU)
No full textThis research project aims to highlight some key aspects of funerary archaeology during the transitional phase from the Punic to the Roman period in southern Sardinia. Specifically, since this topic has been largely neglected in previous scholarship and lacks a standardized framework that would allow for comparison between different case studies, the project seeks to establish a methodology grounded in a preliminary review of the state of the art. This method will then be applied to the Sardinian case study, with reference to the most significant historical developments of the period in question.
As the central focus of the research, particular attention is devoted to the necropolis of Mitza de Siddi in Ortacesus, a site that has been largely excavated and shows a remarkable continuity of use from the 3rd century BCE to the 3rd–4th century CE. The study will include a detailed analysis of the documented archaeological materials, complemented by a preliminary investigation of the inhumed remains, some of which are currently the subject of genetic (aDNA) analyses.
The integration of these research lines will help to emphasize the most relevant aspects of the necropolis’s various phases of use, the typology of tombs, and the materials employed in each phase
APPLICATION OF DATA ANALYTICS AND SPECTROSCOPY ON THE CHEESEMAKING PRODUCTION CHAIN
No full textThe present thesis aims to provide a rigorous methodology for investigating specific dairy topics that remain somewhat underexplored in the food research. Data analysis techniques were employed to examine the impact of process variables on the food matrix at selected stages of cheesemaking, following the product’s path along its process line. As a first step, the issue of milk coagulation process monitoring through non-intrusive sensors is taken under consideration. Specifically, Raman spectroscopy combined with multivariate statistical methods is employed to assess its ability to keep track of milk gelation dynamics and to predict the curd cutting time, a key technological parameter in dairy processing. The following step is to exploit the whole potential of Raman spectroscopy in identifying the chemical bonds that behave as tracers for the coagulation process. This identification, integrated with appropriate signal preprocessing and the implementation of a kinetic model, enables the development of a monitoring system capable of providing real-time estimates of both concentration of compounds involved in milk coagulation and the reconstruction of curd’s unmeasurable variables such as the elastic modulus, since its measurement requires the invasive extraction of samples. Raman spectroscopy tool has also been then employed for the development of a fault detection system through multivariate statistical process control algorithms. The overall results show that Raman spectroscopy can provide multitasked assistance in the cheese manufacturing process. The subsequent part of this dissertation shifts to the analysis of cheese metabolic profile, in order to study the effect of different process variables on the final product quality. The metabolomic study begins with the analysis of fatty acids and elemental composition of cheese sample produced from milk obtained in three different seasons (Summer, spring and winter). Subsequently, Univariate tests on Gas Chromatography–Mass Spectrometry peaks complemented with false discovery rate correction are employed to identify potential biomarkers for different thermal treatment and ripening time for PDO Fiore Sardo cheese, resulting in the significance of biogenic amines, endocannabinoids, sugars and organic acids. Finally, the differences in the lipidic profile of Pecorino Romano cheese over different rennet sources are here investigated using liquid chromatography-quadrupole time-of-flight tandem mass spectrometry. For the first time, a lipidomic study is conducted to differentiate vegetable-renneted (Cardoon) cheese samples from calf rennet-based product. The interaction between different rennet sources and cheese ripening times is also considered. Due to the high dimensionality and the presence of numerous non-informative variables within the lipidomic dataset, the performance of classification models can be significantly hindered. To address this issue, the statistical procedure proposed in this study foresees a variable selection strategy aimed at improving the classification accuracy of multivariate classifiers. In fact, when distinguishing between different types of rennet, the classifier's accuracy increases markedly (from 56% to 88%) when using selected features instead of the full set. The selected features are considered as biomarkers for distinguishing among the different renneting recipes. The biomarkers span several major lipid classes, including glycerophospholipids, triacylglycerols, monoacylglycerols, sphingolipids, various fatty acids and cholesterols.
Overall, the outcomes presented in this dissertation demonstrate that spectroscopic platforms coupled with data analytics tools can be a promising tool within the cheese manufacturing workflow, offering a holistic perspective which considers the production processes as an interconnected system rather than a set of isolated units
Impact of personalization on businesses and their stakeholders
No full textPersonalization — the tailoring of products, services, and interactions to individual users through data-driven models and algorithmic decision-making — has become a strategic axis for contemporary European firms, promising enhanced engagement, increased efficiency, and new pathways for value creation. This dissertation investigates the multifaceted economic, organizational, and stakeholder implications of personalization in two emblematic domains: healthcare and e-commerce. Combining theory from innovation studies and health economics with empirical evidence drawn from an extensive European multi-stakeholder research programme (PhilHumans) and original case analyses, the thesis maps current personalization practices, quantifies and qualifies the associated stakeholder risks, and examines the operational choices firms make when deploying personalized systems. Part I develops an integrated assessment of AI-enabled Personal Health Interfaces (PHIs), introducing a suite of benchmarks, experimental results, and qualitative data to reveal how personalization reshapes clinical workflows, patient engagement, and value distribution across providers and technology partners. Part II examines personalization in digital markets, with a focus on recommender platforms, gatekeeper practices, and systemic risks to competition, user autonomy, and market transparency. Across both domains, the dissertation identifies recurrent failure modes — including algorithmic bias, information asymmetries, value capture, and unintended externalities — and proposes a stakeholder-centric, fairness-aware governance framework that combines technical mitigations, organizational design, and regulatory alignment with EU instruments. The work presents a cross-sector taxonomy of personalization risks and business responses, along with empirical evidence and benchmarking artifacts for healthcare AI, as well as policy and managerial recommendations for aligning personalized innovation with the EU’s legal and ethical priorities