Some remarks on the model of the extended gentlest ascent dynamics

The study of molecular systems involves models describing the evolution of the system through barriers separating basins of attraction on a high dimensional potential energy surface. It is a challenge problem inherent to a complex molecular system. Recently Samanta and E (J Chem Phys 136:124104, 2012) have proposed an extended gentlest ascent dynamics where the system should hop from one saddle point on a potential energy surface to a next saddle point. In the present study we do an analysis of this dynamical model using different two-dimensional potential energy surfaces. The extended gentlest ascent dynamics is a model that corresponds in its mathematical formulation to a set of first order ordinary differential equations. Due to this fact the initial conditions and features are also studied to see their effect on the dynamical behavior

Education vs screening: the use of capacity to consent tools in Psychiatric Genomics

Informed consent procedures for participation in psychiatric genomics research amongst individuals with mental disorder and intellectual disability can often be unclear, particularly because the underlying ethos guiding consent tools reflects a core ethical tension between safeguarding and inclusion. This tension reflects important debates around the function of consent tools, as well as the contested legitimacy of decision-making capacity thresholds to screen potentially vulnerable participants. Drawing on human rights, person-centred psychiatry, and supported decision-making, this paper problematises the use of consent procedures as screening tools in psychiatric genomics studies, particularly as increasing normative emphasis has shifted towards empowerment and participation of those with mental disorder and intellectual disabilities. We expound on core aspects of supported decision-making, such as relational autonomy and hermeneutic competence, to orient consent procedures towards a more educative, participatory framework that is better aligned with developments in disability studies. The paper concludes with an acknowledgement of the pragmatic and substantive challenges in adopting this framework in psychiatric genomics studies if this participatory ethos towards persons with mental disorder and intellectual disability is to be fully realised

Juncus rechingeri Snogerup en Cataluña.

Juncus rechingeri Snogerup in Catalonia.Palabras clave. Juncus, corología, España.Keywords. Juncus, chorology, Spain

Adsorbate-induced lattice deformation in IRMOF-74 series

IRMOF-74 analogues are among the most widely studied metal-organic frameworks ( MOFs) for adsorption applications because of their one-dimensional channels and high metal density. Most studies involving the IRMOF-74 series assume that the crystal lattice is rigid. This assumption guides the interpretation of experimental data, as changes in the crystal symmetry have so far been ignored as a possibility in the literature. Here, we report a deformation pattern, induced by the adsorption of argon, for IRMOF-74-V. This work has two main implications. First, we use molecular simulations to demonstrate that the IRMOF-74 series undergoes a deformation that is similar to the mechanism behind breathing MOFs, but is unique because the deformation pattern extends beyond a single unit cell of the original structure. Second, we provide an alternative interpretation of experimental small-angle X-ray scattering profiles of these systems, which changes how we view the fundamentals of adsorption in this MOF series

A new species of Dadayius Fukui, 1929 (Digenea: Cladorchiidae), parasite of Symphysodon aequifasciatus Pellegrin, 1904 (Perciformes: Cichlidae) from the Purus River, Amazon, Brazil

Summary: The present paper describes a new species of Dadayius Fukui, 1929 (Trematoda, Digenea), parasite of Symphysodon aequifasciatus Pellegrin, 1904, a freshwater fish. The fish were collected from the Purus River, Amazonas State, Brazil. This new species has a long body and, different from other species of the genus, an arch-shaped ovary and a sinuous oesophagus with an ovoid bulb. This is the first record of Dadayius in cichlid fish; to date Dadayius has only been found parasitizing characid fish. © 2011 © Versita Warsaw and Springer-Verlag Wien