6,262 research outputs found

    All-electron magnetic response with pseudopotentials: NMR chemical shifts

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    A theory for the ab initio calculation of all-electron NMR chemical shifts in insulators using pseudopotentials is presented. It is formulated for both finite and infinitely periodic systems and is based on an extension to the projector augmented-wave approach of Blochl [P. E. Blochl, Phys. Rev. B 50, 17 953 (1994)] and the method of Mauri et al. [F. Mauri, B. G. Pfrommer, and S. G. Louie, Phys. Rev. Lett. 77, 5300 (1996)]. The theory is successfully validated for molecules by comparison with a selection of quantum chemical results, and in periodic systems by comparison with plane-wave all-electron results for diamond

    Función homenaje a Rosita Mauri

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    De cada obra s'ha digitalitzat un programa sencer. De la resta s'han digitalitzat les parts que són diferents.Empresa: José F. ArquerNota informativa que anuncia una funció extraordinària pel festiu de l'1 de maig, i una funció en homenatge a la ballarina Rosita Mauri, en commemoració del centenari del seu naixemen

    Accurate first principles prediction of O-17 NMR parameters in SiO2: Assignment of the zeolite ferrierite spectrum

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    O-17 NMR parameters, both the chemical shifts and the quadrupolar parameters, are calculated for SiO2 polymorphs using density functional theory with the generalized gradient-corrected PBE functional. The gauge including projector augmented wave (GIPAW) method (Pickard, C. J.; Mauri, F. Phys. Rev. B 2001, 63, 245101) ensures the reproduction of all electron results while using computationally efficient pseudopotentials. The use of plane-waves permits fully converged calculations to be performed on structures containing 144 atoms in the unit cell, without the need to resort to the cluster approximation. The calculated NMR parameters of cristobalite, quartz, coesite, and faujasite are in excellent agreement with experimental data. This demonstrates that density functional theory is able to reproduce with high accuracy the O-17 NMR parameters in SiO2 systems. This precision is used to assign the spectrum of the zeolite ferrierite. The data calculated for SiO2 are used to confirm that no simple correlation between the chemical shift and Cq NMR parameters and Si-O-Si angle exists, emphasizing the importance of predictive theories in this field

    Oltre il ritratto: Intellettuale di Fabio Mauri

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    Il 31 maggio 1975, in occasione dell’inaugurazione della Galleria d’Arte Moderna di Bologna, ha luogo la performance Intellettuale di Fabio Mauri (1926-2009) con Pier Paolo Pasolini come protagonista. In cima alle scale d’ingresso del museo, contro la porta, Pasolini siede su un alto sgabello e sul suo torace, vestito con una camicia bianca, è proiettato il suo film Il Vangelo secondo Matteo. Il contributo propone una lettura dell’opera in dialogo con l’intera ricerca di Mauri e, attraverso il confronti con altre opere nonché con la categoria del ritratto, mira a individuare una prospettiva di analisi, non esaurita nella centralità fisica e simbolica di Pasolini, ma aperta verso il dialogo fra forme linguistiche diverse, come la performance e il cinema, il rapporto fra autore e opera nonché fra regista e pubblico, suggerendo la considerazione di Intellettuale come esercizio dialettico che supera la specificità del soggetto coinvolto e dunque la il genere del ritratto

    Synthesis of photoactivable probes for the study of glycosphingolipid-protein interactions

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    SYNTHESIS OF PHOTOACTIVABLE PROBES FOR THE STUDY OF GLYCOSPHINGOLIPID-PROTEIN INTERACTIONS Giuseppina Brasile,1 Federica Compostella,1 Laura Mauri,2Sandro Sonnino2 and Fiamma Ronchetti1 Dipartimento di Chimica, Biochimica e Biotecnologie per la Medicina, Università di Milano 1Via Saldini 50, 20133-Milano, Italy; 2Via Fratelli Cervi 93, 20190- Segrate (Milano), Italy E-mail:[email protected] It is widely accepted that glycosphingolipids (GSLs) at the level of the plasma membrane can affect the biological functions of protein molecules, such as cell surface receptors or transporters. The interactions between GSLs and proteins belonging to specific membrane microdomains, called lipid rafts, could be responsible for the modulation of the functional properties of membrane proteins participating in signal transduction. GSL-protein interactions can be investigated by cell photolabelling experiments using radioactive photoactivable GSLs, which yield, when illuminated, a very reactive intermediate that covalently binds to the molecules in the environment, i.e. proteins.1,2 In this context, we have designed a fatty acid probe with two nitrophenylazide photoactivable groups, one at position 2 and the other at the end of the acyl chain. The conjugation of the fatty acid to a radioactive sphingoglycolipid generates a species to be used for photolabelling experiments. In this way, the simultaneous identification of the proteins belonging to both the leaflets of the plasma membrane, the cytoplasmatic and the extracellular one, will be realized. Herein we describe a general synthetic strategy to obtain not commercially available α,ω-diamino acids, the synthetic precursors of the labelled fatty acids, which we have applied to the synthesis of a C-18 derivative. Furthermore, it will be described the preparation of a photolabelled radioactive GSL as a case study. 1. Aureli M., Prioni S., Mauri L. Loberto N., Casellato R., Ciampa M.G., Chigorno V., Prinetti, A.; Sonnino S. J. Lipid Res. 2010, 51, 798-808 2. Mauri L., Prioni S., Loberto N., Chigorno V., Prinetti A., Sonnino S. Glycoconj. J. 2004, 20, 11-23

    Qui sont les Dii mauri ?

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    The author reviews the various but rare interpretations of the divine collectivity referred to by the name of Dii Mauri. From a re-examination of the literary or epigraphic mentions of the 50 specifically African local or regional divinities, and of the 20 dedications to the Dii Mauri known to this day, he believes he can propose the relationship, even the identity, between the local gods and the Dii Mauri. The comparison between the authors of the dedications shows that the worship of the local gods principally concerned « civilians » (82,5 %), whereas the Dii Mauri were invoked by governors, imperial procurators, soldiers (81,25 %). Moreover the Dii Mauri are invoked as often in Numidia and in Africa as in Caesarian Mauretania (they are unknown in Tingitana). Therefore the term of "maurus" is not linked to the Roman administrative carving, it applies to what is rebellious to Latin culture, to what is specifically native and unassimilable. Dii Mauri and African gods are the same divinities, only the dedicators change.The author reviews the various but rare interpretations of the divine collectivity referred to by the name of Dii Mauri. From a re-examination of the literary or epigraphic mentions of the 50 specifically African local or regional divinities, and of the 20 dedications to the Dii Mauri known to this day, he believes he can propose the relationship, even the identity, between the local gods and the Dii Mauri. The comparison between the authors of the dedications shows that the worship of the local gods principally concerned « civilians » (82,5 %), whereas the Dii Mauri were invoked by governors, imperial procurators, soldiers (81,25 %). Moreover the Dii Mauri are invoked as often in Numidia and in Africa as in Caesarian Mauretania (they are unknown in Tingitana). Therefore the term of "maurus" is not linked to the Roman administrative carving, it applies to what is rebellious to Latin culture, to what is specifically native and unassimilable. Dii Mauri and African gods are the same divinities, only the dedicators change.Camps Gabriel. Qui sont les Dii mauri ?. In: Antiquités africaines, 26,1990. pp. 131-153

    Reflections on the Conservation, Energy Efficiency, and Sustainability of Industrial Heritage

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    This chapter explores the reuse and restoration of abandoned 20th-century industrial heritage as a strategy to achieve sustainability goals. It presents a comprehensive methodological process that balances energy performance improvement with the conservation of heritage values. This process is then used to critically analyse four case studies – Gibson Mill (GB), Former Gas Retort House (GB), Van Nelle Factory (NL), and ICO Centrale (IT) – which highlight valuable lessons learned. These insights guide interventions that effectively reconcile energy and regulatory requirements with cultural considerations, thereby enriching the ongoing sustainable development debate

    Un nuovo approccio alla rule of law: La Checklist della Commissione di Venezia

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    The Rule of law principle represents one of the most important pillars of the Common European Heritage. This paper intends to study the contribution offered by the Venice Commission, the advisory constitutional body of the Council of Europe, to the protection and dissemination of the Rule of Law principle among its Member States. After outlining the identified benchmarks of the Rule of Law principle in Europe, the paper studies the Commission’s practical approach towards its Member States. The rationale of the research is to demonstrate the ever- increasing relevance of the Venice Commission as a soft law body in the international scenario and its fundamental contribution to the identification and implementation of the Rule of Law in Europe

    Il Tribunale Costituzionale polacco, le Corti sovranazionali e la salvaguardia dello stato di diritto in Europa

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    The paper explores Poland’s troubled relationship with the European Union and the Council of Europe on the justice’s reform package. Starting from the two recent judgements of the Polish Constitutional Tribunal, with which it has declared the unconstitutionality of articles 1, 2 and 19 TEU and article 6 paragraph 1 ECHR, the paper analyses the possible evolution of Poland’s membership in the two Organizations
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