Dynamic resolution of alpha-substituted dihydrocinnamic aldehydes. A new asymmetric synthesis of pharmaceutically important amine building blocks.

Crystallization-induced diastereoisomer transformation (CIDT) was successfully employed in the enantioselective synthesis of 2-alkyl-3-aryl-propan-1-amines. These products are seen as potentially useful building blocks in the field of asymmetric organic chemistry, notably for pharmaceutically relevant compounds. The procedure was based on a recently reported protocol for deracemization of dihydrocinnamic aldehydes in which enantiomerically enriched 1-(amino(phenyl)methyl)naphthalen-2-ol (Betti base) is employed as a resolving agent. Additionally, fenpropimorph, a biologically active substance which contains the 2-alkyl-3-aryl-propan-1-amine moiety was synthetized, as an attempt to assess the usefulness of the enantiomerically enriched amines.

An integrated system for building and running reproducible research

Our generation of computational scientists is living in an exciting time: not only do we get to pioneer important algorithms and computations, we also get to set standards on how computational research should be conducted and published. From Euclid’s reasoning and Galileo’s experiments, it took hundreds of years for the theoretical and experimental branches of science to develop standards for publication and peer review. Computational science, rightly regarded as the third branch, can walk the same road much faster. The success and credibility of science are anchored in the willingness of scientists to expose their ideas and results to independent testing and replication by other scientists. This requires the complete and open exchange of data, procedures and materials. The idea of a “replication by other scientists” in reference to computations is more commonly known as “reproducible research”. In this context the journal “EAI Endorsed Transactions on Performance & Modeling, Simulation, Experimentation and Complex Systems” had the exciting and original idea to make the scientist able to submit simultaneously the article and the computation materials (software, data, etc..) which has been used to produce the contents of the article. The goal of this procedure is to allow the scientific community to verify the content of the paper, reproducing it in the platform independently from the OS chosen, confirm or invalidate it and especially allow its reuse to reproduce new results. This procedure is therefore not helpful if there is no minimum methodological support. In fact, the raw data sets and the software are difficult to exploit without the logic that guided their use or their production. This led us to think that in addition to the data sets and the software, an additional element must be provided: the workflow that relies all of them.

Synthesis of new non-fullerene acceptors based on indacenodithiophene core for organic solar cells

Due to the low cost, lightness and flexibility, Polymer Solar Cell (PSC) technology is considered one of the most promising energy technologies. In the past decades, PSCs using fullerenes or fullerene derivatives as the electron acceptors have made great progress with best power conversion efficiency (PCE) reaching 11%. However, fullerene type electron acceptors have several drawbacks such as complicated synthesis, a low light absorption coefficient and poor tuning in energy levels, which prevent the further development of fullerene-based PSCs. Hence the need to have a new class of electron acceptors as an alternative to conventional fullerene compounds. Non-fullerene acceptors (NFAs) have developed rapidly in the last years and the maximum PCEs have exceeded 14% for single-junction cells and 17% for double-junction tandem cells. By combining an electron-donating backbone, generally with several fused rings with electron-withdrawing units, we can simply construct NFA of the acceptor–donor–acceptor type (A–D–A). Versatile molecular structures have been developed using methods such as acceptor motif engineering and donor motif engineering. However, there are only a few electron-donating backbones that have been proved to be successful. Therefore, it is still necessary to develop promising building blocks to further enrich the structural diversity. An indacenodithiophene (IDT) unit with just five fused rings has a sufficiently rigid coplanar structure, which has been regarded as one of the promising electron-rich units to design high-performance A–D–A NFAs. In this work, performed at the King Abdullah University of Science and Technology in Saudi Arabia, a new nine-cyclic building block (TBIDT) with a two benzothiophene unit was synthesized and used for designing new non-fullerene electron acceptors.

Arricchimento semantico nel contesto dell'Existing Building Information Modelling: aspetti metodologici e applicazione al caso della Rocca Estense di San Felice sul Panaro.

(ITA) L’industria mondiale odierna nel campo dell’architettura e dell’ingegneria si esprime quasi esclusivamente mediante l’approccio BIM, Building Information Modeling. Anche se sviluppato pensando alle nuove costruzioni ed ancora in via di perfezionamento, è entrato prepotentemente nei capitoli normativi di molti stati all’urlo dell“interoperability”. Su questo tema è recente l’interesse e la possibilità di adozione per l’intervento sul costruito, ovvero di Existing Building Information Modelling, eBIM. Gli studi applicativi-sperimentali in questo ambito sono sempre più numerosi e convergono, purtroppo, sulla delicata correlazione tra la gestione del contenuto semantico e la perdita di interoperabilità. Questa tesi si incentra sull’analisi di tale correlazione valutando in particolare l’aspetto metodologico-applicativo dell’arricchimento semantico adottando come caso studio la Torre Nord della Rocca Estense di San Felice sul Panaro. (ENG)Today's global industry in architecture and engineering fields, expresses itself almost entirely focusing on BIM, Building Information Modeling. Even though it was developed taking in consideration new buildings and the ones that are in the process of improvement, it has entered the regulatory chapters of many states in the hymn of "interoperability". Concerning this topic is recent the interest and possibility of adopting a process to intervene on the already built constructions, Existing Building Information Modeling, eBIM. Application-experimental studies in this area are increasingly numerous and unfortunately converge, on the delicate correlation between the management of the semantic content and the loss of interoperability. This thesis focuses on the analysis of this correlation by evaluating in particular the methodological-applicative aspect of semantic enrichment by adopting the North Tower of the Rocca Estense in San Felice sul Panaro as a case study.

Computational design of a new type of sandwich cross-section for a defined solution of a tree-like column produced by wire-and-arc additive manufacturing

When it comes to designing a structure, architects and engineers want to join forces in order to create and build the most beautiful and efficient building. From finding new shapes and forms to optimizing the stability and the resistance, there is a constant link to be made between both professions. In architecture, there has always been a particular interest in creating new shapes and types of a structure inspired by many different fields, one of them being nature itself. In engineering, the selection of optimum has always dictated the way of thinking and designing structures. This mindset led through studies to the current best practices in construction. However, both disciplines were limited by the traditional manufacturing constraints at a certain point. Over the last decades, much progress was made from a technological point of view, allowing to go beyond today's manufacturing constraints. With the emergence of Wire-and-Arc Additive Manufacturing (WAAM) combined with Algorithmic-Aided Design (AAD), architects and engineers are offered new opportunities to merge architectural beauty and structural efficiency. Both technologies allow for exploring and building unusual and complex structural shapes in addition to a reduction of costs and environmental impacts. Through this study, the author wants to make use of previously mentioned technologies and assess their potential, first to design an aesthetically appreciated tree-like column with the idea of secondly proposing a new type of standardized and optimized sandwich cross-section to the construction industry. Parametric algorithms to model the dendriform column and the new sandwich cross-section are developed and presented in detail. A catalog draft of the latter and methods to establish it are then proposed and discussed. Finally, the buckling behavior of this latter is assessed considering standard steel and WAAM material properties.

Comparison of the seismic performances of a steel frame building equipped with different geometrical configurations of Crescent Shaped Braces

The Crescent Shaped Brace (CSB) is a new simple steel hysteretic device proposed to be used as an enhanced diagonal brace in framed structures. The CSB allows the practical designer to choose the lateral stiffness independently from the yield strength of the device, due to its peculiar ad-hoc shape. In the present thesis, a complete study referring to different CSB configurations has been presented. After the validation of the hysteretic capacities of the Crescent Shaped Braces, the seismic concept of the "enhanced first story isolation" system has been proposed within the PBSD. It relies on the total separation between the Vertical Resisting System (VRS) and the Horizontal Resisting System (HRS) in order to attain a certain objective curve of the structure. An applicative example has been studied following this concept and exploiting the advantages of the CSBs as seismic dissipative devices used for the HRS. Then several geometrical configurations called Single CSB system, Single 2 CSB system, Double CSB system, Coupled CSB system, Coupled with high length CSB system, and the final one was Cross bracing system have been introduced and modelled with SAP2000 and the results have been compared.

From point cloud to HBIM: an integrated workflow for 3D reconstruction of heritage building with model accuracy evaluation

Modern society is now facing significant difficulties in attempting to preserve its architectural heritage. Numerous challenges arise consequently when it comes to documentation, preservation and restoration. Fortunately, new perspectives on architectural heritage are emerging owing to the rapid development of digitalization. Therefore, this presents new challenges for architects, restorers and specialists. Additionally, this has changed the way they approach the study of existing heritage, changing from conventional 2D drawings in response to the increasing requirement for 3D representations. Recently, Building Information Modelling for historic buildings (HBIM) has escalated as an emerging trend to interconnect geometrical and informational data. Currently, the latest 3D geomatics techniques based on 3D laser scanners with enhanced photogrammetry along with the continuous improvement in the BIM industry allow for an enhanced 3D digital reconstruction of historical and existing buildings. This research study aimed to develop an integrated workflow for the 3D digital reconstruction of heritage buildings starting from a point cloud. The Pieve of San Michele in Acerboli’s Church in Santarcangelo Di Romagna (6th century) served as the test bed. The point cloud was utilized as an essential referential to model the BIM geometry using Autodesk Revit® 2022. To validate the accuracy of the model, Deviation Analysis Method was employed using CloudCompare software to determine the degree of deviation between the HBIM model and the point cloud. The acquired findings showed a very promising outcome in the average distance between the HBIM model and the point cloud. The conducted approach in this study demonstrated the viability of producing a precise BIM geometry from point clouds.