298 research outputs found

    Designing All Graphdiyne Materials as Graphene Derivatives: Topologically Driven Modulation of Electronic Properties

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    Designing new 2D systems with tunable properties is an important subject for science and technology. Starting from graphene, we developed an algorithm to systematically generate 2D carbon crystals belonging to the family of graphdiynes (GDYs) and having different structures and sp/sp(2) carbon ratios. We analyze how structural and topological effects can tune the relative stability and the electronic behavior, to propose a rationale for the development of new systems with tailored properties. A total of 26 structures have been generated, including the already known polymorphs such as alpha-, beta-, and gamma-GDY. Periodic density functional theory calculations have been employed to optimize the 2D crystal structures and to compute the total energy, the band structure, and the density of states. Relative energies with respect to graphene have been found to increase when the values of the carbon sp/sp(2) ratio increase, following however different trends based on the peculiar topologies present in the crystals. These topologies also influence the band structure, giving rise to semiconductors with a finite band gap, zero-gap semiconductors displaying Dirac cones, or metallic systems. The different trends allow identifying some topological effects as possible guidelines in the design of new 2D carbon materials beyond graphene

    Liking and sensory description of protein substitutes in phenyilketonuria subjects: A case-study in Northern and Southern Italy

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    Nowadays, it is important to make effort to develop new formulations for subjects affected by rare diseases who need to follow a lifetime diet to maintain a good health. The purpose of the study was to evaluate the acceptability and to obtain a sensory descriptive analysis of protein substitutes(glycomacropeptide GMP formulas vsL-amino acid formulas) involving subjects affected by phenylketonuria in Northern and Southern Italy. Results demonstrated in both groups of subjects a greater acceptability of GMP samples, characterized by sweet and mild taste, mild odor, and natural color, compared to amino acid formulations. These sensory attributes should be considered during product development as a key factor influencing subjects\u2019 satisfaction

    Phase equilibria in the La-Mg-Ge system at 500 °c and crystal structure of the new ternary compounds La11Mg2Ge7 and LaMg3-xGe2

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    The whole 500 \ub0C isothermal section of the La-Mg-Ge ternary system was constructed. The existence and crystal structure of three ternary compounds were confirmed: La2+xMg1-xGe2 (\u3c42, P4/mbm, tP10-Mo2FeB2, 0 64x 640.25), La 4Mg5Ge6 (\u3c43, Cmc21, oS60-Gd4Zn5Ge6) and La4Mg 7Ge6 (\u3c44, C2/m, mS34, own structure type). Five novel compounds were identified and structurally characterized: La 11Mg2Ge7 (\u3c41, P4 2/ncm, tP88-8, own structure type, a=1.21338(5), c=1.57802(6) nm), LaMg3-xGe2 (\u3c45, P 3\u3041c, hP34-0.44, own structure type, x=0.407(5), a=0.78408(4), c=1.45257(7) nm), La 6Mg23Ge (\u3c46, Fm3\u304m, cF120-Zr 6Zn23Si, a=1.46694(6) nm), La4MgGe 10-x (\u3c47, x=0.37(1), C2/m, mS60-1.46, own structure type, a=0.88403(8), b=0.86756(8), c=1.7709(2) nm, \u3b2=97.16\ub0(1) and La2MgGe6 (\u3c48, Cmce, oS72-Ce 2(Ga0.1Ge0.9)7, a=0.8989(2), b=0.8517(2), c=2.1064(3) nm). Disordering phenomena were revealed in several La-Mg-Ge phases in terms of partially occupied sites. The crystal structures of La11Mg2Ge7 and LaMg3-xGe2 are discussed in details. The latter is a 1a3a 7 1a3a 72c superstructure of the LaLi3Sb2 structure type; the symmetry reduction scheme is shown in the B\ue4rnighausen formalism terms. \ua9 2014 Elsevier Inc

    Autoluminescent Metal-Organic Frameworks (MOFs): Self-Photoemission of a Highly Stable Thorium MOF

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    A novel thorium(IV) metal-organic framework (MOF), Th(2,6-naphtalenedicarboxylate)2, has been synthesized via solvothermal reaction of thorium nitrate and 2,6-naphtalendicarboxilyc acid. This compound shows a new structural arrangement with an interesting topology and an excellent thermal resistance, as the framework is stable in air up to 450 \ub0C. Most notably, this MOF, combining the radioactivity of its metal center and the scintillation property of the ligand, has been proven capable of spontaneous photon emission

    Sleep-related epileptic behaviors and non-REM-related parasomnias: Insights from stereo-EEG

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    During the last decade, many clinical and pathophysiological aspects of sleep-related epileptic and non-epileptic paroxysmal behaviors have been clarified. Advances have been achieved in part through the use of intracerebral recording methods such as stereo-electroencephalography (S-EEG), which has allowed a unique "in vivo" neurophysiological insight into focal epilepsy. Using S-EEG, the local features of physiological and pathological EEG activity in different cortical and subcortical structures have been better defined during the entire sleep-wake spectrum. For example, S-EEG has contributed to clarify the semiology of sleep-related seizures as well as highlight the specific epileptogenic networks involved during ictal activity. Moreover, intracerebral EEG recordings derived from patients with epilepsy have been valuable to study sleep physiology and specific sleep disorders. The occasional co-occurrence of NREM-related parasomnias in epileptic patients undergoing S-EEG investigation has permitted the recordings of such events, highlighting the presence of local electrophysiological dissociated states and clarifying the underlying pathophysiological substrate of such NREM sleep disorders. Based on these recent advances, the authors review and summarize the current and relevant S-EEG literature on sleep-related hypermotor epilepsies and NREM-related parasomnias. Finally, novel data and future research hypothesis will be discussed

    Activation of the motor cortex during phasic rapid eye movement sleep

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    When dreaming during rapid eye movement (REM) sleep, we can perform complex motor behaviors while remaining motionless. How the motor cortex behaves during this state remains unknown. Here, using intracerebral electrodes sampling the human motor cortex in pharmacoresistant epileptic patients, we report a pattern of electroencephalographic activation during REM sleep similar to that observed during the performance of a voluntary movement during wakefulness. This pattern is present during phasic REM sleep but not during tonic REM sleep, the latter resembling relaxed wakefulness. This finding may help clarify certain phenomenological aspects observed in REM sleep behavior disorder

    Sleep and epilepsy: A snapshot of knowledge and future research lines

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    Sleep and epilepsy have a reciprocal relationship, and have been recognized as bedfellows since antiquity. However, research on this topic has made a big step forward only in recent years. In this narrative review we summarize the most stimulating discoveries and insights reached by the “European school.” In particular, different aspects concerning the sleep–epilepsy interactions are analysed: (a) the effects of sleep on epilepsy; (b) the effects of epilepsy on sleep structure; (c) the relationship between epilepsy, sleep and epileptogenesis; (d) the impact of epileptic activity during sleep on cognition; (e) the relationship between epilepsy and the circadian rhythm; (f) the history and features of sleep hypermotor epilepsy and its differential diagnosis; (g) the relationship between epilepsy and sleep disorders

    Topology of Intermetallic Structures : From Statistics to Rational Design

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    Conspectus More than 38 000 substances made only of metal atoms are collected in modern structural databases; we may call them intermetallic compounds. They have important industrial applications, and yet they are terra incognita for most of our undergraduate students. Their structural complexity and synthesis are not easily adaptable to first years laboratories, keeping them away from the standard curricula. They have been described over the years following alternative and complementary views such as coordination polyhedra, atomic layers, and polyatomic clusters. All of these descriptions, albeit relying on grounded principles, have been applied on a subjective basis and never implemented as a strict computational algorithm. Sometimes, the authors generated multiple views of the same structure reported with beautifully drawn figures and/or photos of hand-crafted models in seminal works of the precomputer age. With the use of our multipurpose crystallochemical program package ToposPro, we explored the structural chemistry of intermetallics with objective and reproducible topological methods that allow us to reconcile different structure descriptions. After computing the connectivity patterns between the metal atoms on the basis of Voronoi partitioning of the crystal space, we were able to group the 38 000 intermetallic compounds into 3700 sets of crystal structures with the same topology of atomic net. We have described the different views used in the literature and shown that 12-vertex polyhedra are the most frequent (33%) and that almost half of them are icosahedron-like (46%), followed by cuboctahedron (25%) and, unexpectedly, by bicapped pentagonal prism (13%). Looking for layers, we have found that the hexagonal lattice, which corresponds to the closest packing of spheres on a plane, exists in more than 11 000 crystal structures, confirming the close-packed nature of intermetallics. We have also applied the nanocluster approach, which goes beyond the first coordination sphere and looks for structural units as multishell clusters that assemble the whole structure. This approach shows that 41% of intermetallics can be assembled with a single nanocluster and that 22.4% of these are packed according to the face-centered cubic motif of the closest packing of spheres in three-dimensional space. We have shown that our approach can easily adopt any other building model and hence could become a platform for a universal predictive scheme. Within this scheme, all of the structural descriptors can be related to experimental data and theoretical modeling results and then can be used to synthesize new intermetallic compounds and to foresee novel materials

    Il trattamento conservativo precoce nella Camptodattilia = Camptodactyly : early nonoperative treatment

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    Scopo: Approfondimento delle classificazioni e dei protocolli conservativi utilizzati dalle unit\ue0 operative di chirurgia della mano e pubblicati negli ultimi 15 anni. Confronto con la classificazione ed il protocollo utilizzati nel nostro reparto. Materiali e metodi: Si sono analizzati i protocolli conservativi pubblicati e si \ue8 poi descritto il nostro protocollo attraverso l\u2019analisi di tre casi attualmente in trattamento. Risultati: Si \ue8 evidenziata una disomogeneit\ue0 nella classificazione delle camptodattilie e nell\u2019utilizzo dei tutori, sia per tipologia che per modalit\ue0 di utilizzo. Il nostro reparto si avvale della classificazione di Foucher per determinare la scelta del tipo di tutore. Conclusioni: Anche se la tipologia di tutore non \ue8 sempre la stessa, tutti gli autori concordano che, nella maggioranza delle camptodattilie sia importante cominciare con l\u2019approccio conservativo. Nel nostro reparto vengono confezionati tutori statici o dinamici in base al tipo di camptodattilia e viene monitorato costantemente l\u2019andamento tramite misurazioni goniometriche, con ottimi risultati.Purpose: To analyse the classifications and the conservative protocols used by hand surgery operative\u2019s units and published in the last 15 years. To draw a comparison between those classifications and protocols and the ones used in our unit. Material and Methods: The published conservative treatments have been analysed and then our protocol has been described through the analysis of three cases currently treated in our division. Results: It has been highlighted that camptodactyly classifications are not homogeneous. Moreover, in conservative treatment, different typology and posology of splints have been adopted. Our unit uses the Foucher\u2019s classification to define the type of splint that it is necessary. Conclusions: Despite the authors choose different types of splint, they agree that in the most cases of camptodactily the initial approach is conservative. In our unit static and dynamic splints are made directly on the patient\u2019s hand and they are monitored with goniometrical measurements, obtaining great results
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