On the ground state of Pd13

First-principles electronic structure calculations within a gradient corrected density functional formalism have been carried out to investigate the electronic structure and magnetic properties of Pd(13) clusters. It is shown that a bilayer ground-state structure that can be regarded as a relaxed bulk fragment is most compatible with the experimental results from Stern-Gerlach measurements. An icosahedral structure, considered to be the ground state in numerous previous studies, is shown to be around 0.14 eV above the ground state. A detailed analysis of the molecular orbitals reveals the near degeneracy of the bilayer or icosahedral structures is rooted in the stabilization by p- or d-like cluster orbitals. The importance of low-lying spin states in controlling the electronic and magnetic properties of the cluster is highlighted.     

Functional MRI changes in the central motor system in myotonic dystrophy type 1

Myotonic dystrophy type 1 (DM1) is a multisystemic disease involving multiple organ systems including central nervous system (CNS) and muscles. Few studies have focused on the central motor system in DM1, pointing to a subclinical abnormality in the CNS. The aim of our study was to investigate patterns of cerebral activation in DM1 during a motor task using functional MRI (fMRI). Fifteen DM1 patients, aged 20 to 59 years, and 15 controls of comparable age were scanned during a self-paced sequential finger-to-thumb opposition task of their dominant right hand. Functional MRI images were analyzed using SPM99. Patients underwent clinical and genetic assessment; all subjects underwent a conventional MR study. Myotonic dystrophy type 1 patients showed greater activation than controls in bilateral sensorimotor areas and inferior parietal lobules, basal ganglia and thalami, in the ipsilateral premotor area, insula and supplementary motor area (corrected P<.05). Analysis of the interaction between disease and age showed that correlation with age was significantly greater in patients than in controls in bilateral sensorimotor areas and in contralateral parietal areas. Other clinical and MR characteristics did not correlate with fMRI. Functional changes in DM1 may represent compensatory mechanisms such as reorganization and redistribution of functional networks to compensate for ultrastructural and neurochemical changes occurring as part of the accelerated aging process.     

Non-maturing deposits modelling in a Ornstein-Uhlenbeck framework

This paper builds a multivariate Lévy-driven Ornstein-Uhlenbeck process for the management of non-maturing deposits, that are a major source of funding for banks. The contribution of the paper is both theoretical and operational. On the theoretical side, the novelty of this model is to include three independent sources of randomness in a Lévy framework: market interest rates, deposit rates and deposit volumes. The choice of a Lévy background driving process allows us to model rare but severe events. On the operational side, we propose a procedure to include severe volume outflows with positive probability in future scenarios simulation, explaining its implementation with an illustrative example using Italian banking sector data.     

Liquid mulch based on poly(vinyl alcohol). PVA-soil interaction

This study is meant to provide a contribution in recent developments of biodegradable polymeric materials applied in agricultural practices with particular reference to the mulching segment. Special attention has been devoted to material based on renewable resources or utilization of waste products from agro-industrial activities, thus suggesting cost-effective and environmentally sound solutions to specific social needs. In the present contribution PVA solubility at room temperature has been improved by premixing with chemical additives and proteic materials. Waste materials from ethanol production by corn fermentation and from wood industries have been used as, respectively starch-based and lignocellulosic additives. The prepared formulations were applied on the soil by conventional spraying agricultural equipment. Time of permanence of the film formed on the soil was monitored as well as the effect on corn growth and yield production. Finally, in order to investigate the final fate of the PVA applied on the soil, a test was performed in lysimeters, with half of the lysimeters cropped with maize plants. PVA amount applied for the mulching test was in order of 5-10 g PVA/1 m²; under those conditions it resulted completely absorbed and no presence of PVA was recorded in the leached solutions.     

Characteristics and degradation of hybrid composite films prepared from PVA,starch and lignocellulosics

A research cooperation between USDA and the University of Pisa led to the development of several composite blends of poly(vinyl alcohol) (PVA) and lignocellulosic fibers. The cast films were prepared by blending orange fibers (OR-fibers) and PVA with and without cornstarch to yield flexible and cohesive films. To improve properties, films were also prepared by crosslinking PVA, starch and OR-fibers with hexamethoxymethylmelamine (HMMM). Films were evaluated for their thermal stability, water permeability and biodegradation. Thermal gravimetric analyses indicated the potential usefulness of such blends in several thermoplastic applications. Films were permeable to water, and retained the moisture content in the soil while retaining their integrity. Films generally biodegraded within 30 days in compost, achieving between 50-80% mineralization. Both neat PVA and blends that had been crosslinked showed comparatively slow degradation. A possible stimulating effect of lingocellulosic fillers on the biodegradation of PVA in blends has been observed.     

ChemInform Abstract: H2O Nucleation Around Au+

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