169,945 research outputs found
Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: The role of c—h⋅⋅⋅π interactions
No full textAminobenzylnaphthols are a class of compounds containing a large aromatic molecular surface which makes them suitable candidates to study the role of C—H⋅⋅⋅π interactions. We have investigated the effect of methyl or methoxy substituents on the assembling of aromatic units by preparing and determining the crystal structures of (S,S)-1-(4-methylphenyl)[(1-phenylethyl)amino]methylnaphthalen-2-ol, C 26 H 25 NO, and (S,S)-1-(4-methoxyphenyl)[(1-phenylethyl)amino]methylnaphthalen-2-ol, C 26 H 25 NO 2 . The methyl group influenced the overall crystal packing even if the H atoms of the methyl group did not participate directly either in hydrogen bonding or C—H π interactions. The introduction of the methoxy moiety caused the formation of new hydrogen bonds, in which the O atom of the methoxy group was directly involved. Moreover, the methoxy group promoted the formation of an interesting C—H⋅⋅⋅π interaction which altered the orientation of an aromatic unit
Sur la non-unicite des solutions faibles de l'equation de la chaleur non lineaire avec non-linearite u^3
No full textWe prove for some singular initial data the existence of a solution u(t)=u(t)+v(t) ε C([0,T]:L3(ø3)) of the nonlinear heat equation with nonlinearity u3, which is not equal to Weissler's solution. The proof lies on the study of the perturbed equation on v(t) in weak-L6.Pour certaines données initiales singulières u0 ε L3(R3) nous prouvons l'existence d'une solution faible u(t)=u0+v(t.) ε C([0, T]; L3(R3)) de l'équation de la chaleur non linéaire avec non-linéarité u3 qui ne coïncide pas avec la solution de Weissler. La démonstration repose sur l'étude de l'équation perturbée sur v(t) dans L6-faible
Opportunità e limiti dell’applicazione del Personal Budget per persone con disabilità in prospettiva internazionale
No full textPersonal Budget for people with disabilities: Opportunities and limits from an international perspective The aim of this paper is to discuss the efficacy of the welfare action commonly known as the «Personal Budget», which stands for the development of reforms reorganizing the funds for social and health benefits, allocated directly to people with disabilities, allowing them to choose and pay for needed supports. The goal of this policy is to put people back in the center of the care process, releasing them from the passive role of «assistance receivers» in exchange for a pro-active role with broader decision-making margins. Achieving, therefore, the empowerment of the person with disabilities, who is given full control over the structuring and quality of the supports to be received. To discuss the efficacy of this welfare action, we conducted a systematic literature review of the topic, selecting both scientific articles and reports produced by national stakeholders. We thus analyzed to what extent, according to the explored literature, the Personal Budget is succeeding in making the health and social support for people with disabilities more individually tailored, in empowering them and thus, improving their quality of life. The scrutiny of the selected scientific literature highlights how the Personal Budget does not merely correspond to a reallocation of the economic resources available in favor of disability within a «cash-for-hire» care scheme, based on the liberal assumption that funding individuals directly gives them agency and that being a client is somehow more empowering than being a patient, but at the same time it does not seem to comply with the fundamental change in the paradigm of taking care of people with disabilities which was aimed for. Moreover, the empirical research articles published so far seems to suggest that the implementation of the Personal Budget determines a more precise needs-assessment for people with disabilities, allowing a personalized organization of supports, but does not ease the burden on their families
Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: the role of C—H...π interactions
No full textAminobenzylnaphthols are a class of compounds containing a large aromatic molecular surface which makes them suitable candidates to study the role of C-H...π interactions. We have investigated the effect of methyl or methoxy substituents on the assembling of aromatic units by preparing and determining the crystal structures of (S,S)-1-{(4-methylphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol, C26H25NO, and (S,S)-1-{(4-methoxyphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol, C26H25NO2. The methyl group influenced the overall crystal packing even if the H atoms of the methyl group did not participate directly either in hydrogen bonding or C-H...π interactions. The introduction of the methoxy moiety caused the formation of new hydrogen bonds, in which the O atom of the methoxy group was directly involved. Moreover, the methoxy group promoted the formation of an interesting C-H...π interaction which altered the orientation of an aromatic unit
La stabilità nel tempo della valutazione sociale delle occupazioni in Italia : 1985-2005
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Confronto tra metodi colturali su piastra, liquidi e molecolari per la ricerca di Legionella pneumophila nelle acque
No full textC(sp3) atoms as tetrel bond donors: A crystallographic survey
No full textThe σ-hole and π-hole interactions allow for a systematic understanding of some features of the attractive interactions involving elements of groups 13–18 of the periodic table and of some other groups. Areas of depleted electron density, where the electrostatic potential can be positive, exist on these atoms and these areas can form attractive interactions with electron rich sites (nucleophiles). When the electrophilic atom belongs to groups 14, 15, 16, or 17, the resulting interactions are named tetrel, pnictogen, chalcogen, and halogen bond, respectively. Here we discuss the tetrel bonds (TtBs) formed in crystalline solids on interaction of sp3 hybridized carbon atoms with lone pair possessing atoms and anions. A mapping of the specific short contacts formed in the solid by C(sp3) atoms is realized by discussing selected structures from the Cambridge Structural Database. This mapping led to the identification of some functional groups particularly tailored to form TtBs which can affect or control the packing in crystalline solids. Specifically, it is shown that methyl and methylene groups bound to ammonium, pyridinium, and sulfonium residues can give rise to particularly short and directional TtBs. Topologically, the formed adducts can exist as discrete species or one, two, or three dimensional networks. Fluorine atoms and perfluorinated residues as well as nitro and cyano substituents can also lead to the formation of TtBs which can control molecular conformation and packing in the solid
Stacked aryl groups in: P -resolved cyclic phosphonamides as a new conformational constraint
No full textAlong the lines of a systematic investigation of conformational constraints promoted by weak interactions, the aryl-stacked structures of some chiral cyclic phosphonamides synthesised with the aid of Betti bases as chirality inducers were investigated by X-ray diffraction analysis and NMR spectroscopy. The synthesised systems showed the stacked conformation between two of their aryl groups, leading to pre-organized structures. The π-π stacking motif between the aromatic rings was observed in solid state and in solution, suggesting that this supramolecular synthon could be used as a conformational constraining tool in the development of drug molecule candidates based on chiral cyclic phosphonamides. The disabling of the π-π stacking motif was pursued by adding an ortho-substituent on one aromatic ring
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