A comparison of structural models of Tb₃Al₅O₁₂ and Nd₃Al₅O₁₂ glasses obtained when using x-ray data alone and when x-ray and neutron data are combined

Abstract X-ray diffraction experiments, including Anomalous X-ray Diffraction, have been carried out on Tb3Al5O12 and Nd3Al5O12 glasses. In addition, neutron diffraction and isotopic substitution experiments have been carried out for Nd3Al5O12. The data has been analysed by direct Fourier transform methods and by refinement of atomistic structures obtained from Molecular Dynamics simulations. For Nd3Al5O12 good agreement between the Molecular Dynamics simulations and all the experimental data was obtained. The Molecular Dynamics configuration was refined further using Reverse Monte Carlo methods to obtain a final atomistic configuration. The Nd3Al5O12 Molecular Dynamics configuration was refined using the X-ray data alone and the results show that the final configuration was in worse agreement with the data than the original Molecular Dynamics calculation. From this result it was concluded that in order to obtain a good atomistic model of Tb3Al5O12 it is essential to include at least one neutron diffraction measurement in the Molecular Dynamics – Reverse Monte Carlo refinement.</jats:p

Serotonin syndrome:pathophysiology, clinical features, management, and potential future directions

Serotonin syndrome (SS) (also referred to as serotonin toxicity) is a potentially life-threatening drug-induced toxidrome associated with increased serotonergic activity in both the peripheral (PNS) and central nervous systems (CNS). It is characterised by a dose-relevant spectrum of clinical findings related to the level of free serotonin (5-hydroxytryptamine [5-HT]), or 5-HT receptor activation (predominantly the 5-HT1A and 5-HT2A subtypes), which include neuromuscular abnormalities, autonomic hyperactivity, and mental state changes. Severe SS is only usually precipitated by the simultaneous initiation of 2 or more serotonergic drugs, but the syndrome can also occur after the initiation of a single serotonergic drug in a susceptible individual, the addition of a second or third agent to long-standing doses of a maintenance serotonergic drug, or after an overdose. The combination of a monoamine oxidase inhibitor (MAOI), in particular MAO-A inhibitors that preferentially inhibit the metabolism of 5-HT, with serotonergic drugs is especially dangerous, and may lead to the most severe form of the syndrome, and occasionally death. This review describes our current understanding of the pathophysiology, clinical presentation and management of SS, and summarises some of the drugs and interactions that may precipitate the condition. We also discuss the newer novel psychoactive substances (NPSs), a growing public health concern due to their increased availability and use, and their potential risk to evoke the syndrome. Finally, we discuss whether the inhibition of tryptophan hydroxylase (TPH), in particular the neuronal isoform (TPH2), may provide an opportunity to pharmacologically target central 5-HT synthesis, and so develop new treatments for severe, life-threatening SS

Simulation of metallic nanostructures for emission of THz radiation using the lateral photo-Dember effect

A 2D simulation for the lateral photo-Dember effect is used to calculate the THz emission of metallic nanostructures due to ultrafast diffusion of carriers in order to realize a series of THz emitters.Comment: Corrected version of a paper given at 2011 36th International Conference on Infrared, Millimeter and Terahertz Waves (IRMMW-THz

Joint diffraction and modeling approach to the structure of liquid alumina

The structure of liquid alumina at a temperature ∼2400 K near its melting point was measured using neutron and high-energy x-ray diffraction by employing containerless aerodynamic–levitation and laser-heating techniques. The measured diffraction patterns were compared to those calculated from molecular dynamics simulations using a variety of pair potentials, and the model found to be in best agreement with experiments was refined using the reverse Monte Carlo method. The resultant model shows that the melt is composed predominantly of AlO4 and AlO5 units, in the approximate ratio of 2:1, with only minor fractions of AlO3 and AlO6 units. The majority of Al-O-Al connections involve corner-sharing polyhedra (83%), although a significant minority involve edge-sharing polyhedra (16%), predominantly between AlO5 and either AlO5 or AlO4 units. Most of the oxygen atoms (81%) are shared among three or more polyhedra, and the majority of these oxygen atoms are triply shared among one or two AlO4 units and two or one AlO5 units, consistent with the abundance of these polyhedra in the melt and their fairly uniform spatial distribution

How important is the context of an adolescent's first alcoholic drink? Evidence that parental provision may reduce later heavy episodic drinking

Objective: This study examined the extent to which a retrospective measure of parental provision of the first alcoholic beverage was related to current heavy episodic drinking and current responsible drinking practices. Sample: 608 14- to 17-year-olds from the 2007 Australian National Drug Strategy Household Survey. Measures: Source of first alcoholic beverage (friends/parents/others), source of current alcohol, age of onset of alcohol use, current responsible drinking practices, and proportion of current friends who drink. Results: Binary logistic and multiple regression procedures revealed that parental provision of an adolescent's first alcoholic beverage predicted lower current heavy episodic drinking, and responsible drinking mediated this association. Discussion: The results suggested that for adolescents who become alcohol users, parental provision of the first drink may reduce subsequent alcohol-related risks compared to introduction to alcohol by friends and other sources. Alcohol-related risks remain significant for adolescents who consume alcohol, independent of who is the provider. Copyright (C) 2012 S. Karger AG, Base