Computational approaches to shed light on molecular mechanisms in biological processes

Computational approaches based on Molecular Dynamics simulations, Quantum Mechanical methods and 3D Quantitative Structure-Activity Relationships were employed by computational chemistry groups at the University of Milano-Bicocca to study biological processes at the molecular level. The paper reports the methodologies adopted and the results obtained on Aryl hydrocarbon Receptor and homologous PAS proteins mechanisms, the properties of prion protein peptides, the reaction pathway of hydrogenase and peroxidase enzymes and the defibrillogenic activity of tetracyclines. © Springer-Verlag 2007

The deep-sea hub of the ANTARES neutrino telescope

The ANTARES neutrino telescope, currently under construction at 2500 m depth off the French Mediterranean coast, will contain 12 detection lines, powered and read out through a deep-sea junction box (JB) hub. Electrical energy from the shore station is distributed through a transformer with multiple secondary windings and a plugboard with 16 deep sea-mateable electro-optic connectors. Connections are made to the JB outputs using manned or remotely operated submersible vehicles. The triply redundant power management and slow control system is based on two identical AC-powered systems, communicating with the shore through 160 Mb/s fibre G-links and a third battery-powered system using a slower link. We describe the power and slow control systems of the underwater hub

Noto Station Status Report

The Noto VLBI station was fully operational in 2012, and the upgrade projects could be restarted, involving mainly the receiver area. Another important improvement was the activation of the 1 Gbps network

Oxytocin Signaling in the Central Amygdala Modulates Emotion Discrimination in Mice

Recognition of other's emotions influences the way social animals interact and adapt to the environment. The neuropeptide oxytocin (OXT) has been implicated in different aspects of emotion processing. However, the role of endogenous OXT brain pathways in the social response to different emotional states in conspecifics remains elusive. Here, using a combination of anatomical, genetic, and chemogenetic approaches, we investigated the contribution of endogenous OXT signaling in the ability of mice to discriminate unfamiliar conspecifics based on their emotional states. We found that OXTergic projections from the paraventricular nucleus of the hypothalamus (PVN) to the central amygdala (CeA) are crucial for the discrimination of both positively and negatively valenced emotional states. In contrast, blocking PVN OXT release into the nucleus accumbens, prefrontal cortex, and hippocampal CA2 did not alter this emotion discrimination. Furthermore, silencing each of these PVN OXT pathways did not influence basic social interaction. These findings were further supported by the demonstration that virally mediated enhancement of OXT signaling within the CeA was sufficient to rescue emotion discrimination deficits in a genetic mouse model of cognitive liability. Our results indicate that CeA OXT signaling plays a key role in emotion discrimination both in physiological and pathological conditions. Is endogenous oxytocin implicated in emotion discrimination? Ferretti, Maltese et al. demonstrate that oxytocin signaling in the central amygdala plays a key role in the ability of mice to discriminate unfamiliar conspecifics based on their emotional state, both in physiological and genetically determined pathological conditions

Atomistic modelling studies of fluorite- and perovskite-based oxide materials

Fast oxide-ion and proton conductors are the subject of considerable research due to their technological applications in sensors, ceramic membranes and solid oxide fuel cells (SOFCs). This thesis describes the use of computer modelling techniques to study point defects, dopants and clustering effects in fluorite-and perovskitetype ion conductors with potential SOFC applications. Bi2O3 related phases are being developed with the objective of high oxide-ion conductivities at lower operating temperatures than 1000°C, as in current generation SOFC electrolytes. Doped Bi2O3 phases have shown promise as materials capable of accomplishing this goal. First, the Y-doped phase, Bi3YO6, has been investigated including the ordering of intrinsic vacancies. The defect and dopant characteristics of Bi3YO6 have been examined and show that a highly mobile oxygen sub-lattice exists in this material. A preliminary structural modelling study of a new Re-doped Bi2O3 phase was also undertaken. A comprehensive investigation of the proton-conducting perovskites BaZrO3, BaPrO3 and BaThO3 is then presented. Our results suggest that intrinsic atomic disorder in BaZrO3 and BaThO3 is unlikely, but reduction of Pr4+ in BaPrO3 is favourable. The water incorporation energy is found to be less exothermic for BaZrO3 than for BaPrO3 and BaThO3, but in all cases the results suggest that the proton concentration would decrease with increasing temperature, in accord with experimental data. The high binding energies for all the dopant-OH pair clusters in BaPrO3 and BaThO3 suggest strong proton trapping effects. Finally, a study of multiferroic BiFeO3 is presented, in which the defect, dopant and migration properties of this highly topical phase are investigated. The reduction process involving the formation of oxygen vacancies and Fe2+ is the most favourable redox process. In addition, the results suggest that oxide-ion migration is anisotropic within this system.EThOS - Electronic Theses Online ServiceGBUnited Kingdo

Seismic tomography of the North Anatolian Fault: New insights into structural heterogeneity along a continental strike-slip fault

Knowledge of the structure of continental strike-slip faults within the lithosphere is essential to understand where the deformation occurs and how strain localizes with depth. With the aim to improve the constraints on the lower crust and upper mantle structure of a major continental strike-slip fault, we present a high-resolution teleseismic tomography of the North Anatolian Fault Zone (NAFZ) in Turkey. Our results highlight the presence of a relatively high velocity body between the two branches of the fault and significant along-strike variations in the NAFZ velocity structure over distances of ~20 km. We interpret these findings as evidence of laterally variable strain focussing caused by preexisting heterogeneity. Low velocities observed in the crust and upper mantle beneath the NAFZ support the presence of a narrow shear zone widening in the upper mantle, where we constrain its width to be ~50 km.Major funding was provided by the UK Natural Environment Research Council (NERC) under grant NE/I028017/1. Equipment was provided and supported by the NERC Geophysical Equipment Facility (SEIS-UK). This project is also supported by Bogaziçi University Scientific ˘ Research Projects (BAP) under grant 6922 and Turkish State Planning Organization (DPT) under the TAM project, number 2007K120610

Risk of miscarriage in women with endometriosis: insights from in vitro fertilization cycles

Objective: To evaluate whether women with endometriosis achieving singleton pregnancies with IVF face an increased risk of miscarriage. Design: Matched case-control study. Setting: Infertility units. Patient(s): Women achieving singleton pregnancies with the use of IVF were considered. Cases were women with a history of surgery for endometriosis and those who were documented the presence of ovarian endometriomas at the time of the IVF cycle (n = 313). Controls were matched to cases by age (\ub16 months), type of cycle (fresh or frozen cycle). and study period (n = 313). Intervention(s): Retrospective review of women undergoing IVF. Main Outcome Measure(s): Rate of miscarriage before 12 weeks' gestation. Result(s): The number of miscarriages in women with and without endometriosis was similar, being 48 (15%) and 60 (19%), respectively. The odds ratio of miscarriage in affected women was 0.76 (95% confidence interval 0.50-1.16). The odds ratio adjusted for body mass index (BMI), parity, duration of infertility, and male factor infertility was 0.81 (95% confidence interval 0.53-1.25). Subgroup analyses according to the type of cycle, the number of embryos transferred, the presence of endometriomas, and the history of surgery for endometriosis did not document any subgroup at significant increased risk of miscarriage. Conclusion(s): The risk of miscarriage is not increased in women with endometriosis achieving pregnancy with the use of IVF