Cu diffusion in α-Fe: determination of solute diffusivities using atomic-scale simulations

The nucleation and growth of radiation-induced Cu-rich clusters have proved an important topic in the study of microstructural and chemical evolution responsible for property changes in pressure vessel steels subjected to neutron irradiation. Small Cu clusters can act as precipitate precursors and contribute to the hardening of the material by impeding dislocation glide. Reliable Cu diffusion coefficients provide critical input to Monte Carlo and rate theory approaches to study the kinetics of diffusion and clustering that lead to the formation of such Cu-rich features. In this paper we report the results of a molecular dynamics study of Cu solute-atom diffusion in a Fe–0.9at%Cu alloy, using high-temperatures and high-vacancy concentrations to hasten the convergence of the calculation. We find a value of 0.61 eV for the migration energy of Cu in the b.c.c Fe matrix, in good agreement with available experimental results. The main diffusion mechanisms under the conditions simulated are identified and discussed, and the effect of vacancy and solute clustering on Cu migration is assessed. In addition, a rigorous computation of the solute enhancement factor, correlation factor and solute diffusivity is performed within the five-frequency theoretical framework and the harmonic approximation. The results obtained are compared with those yielded by the direct MD simulations and the observed differences discussed.     

Languages generated by P systems with active membranes

We propose an alternative approach to generate languages by means of P systems: building up an appropriate representation for a string by means of a corresponding membrane structure and then generating the string by visiting the membrane structure according to a well-specified strategy. To this aim, we consider P systems with active membranes, allowing membrane creation or division or duplication and dissolution, where the output of a computation may be obtained either by visiting the tree associated with the membrane structure, or by following the traces of a specific object, called traveller, or sending out the objects. For each of these approaches, we provide characterizations of recursively enumerable languages based on P systems that use different sets of operations for modifying the membrane structure. Francesco Bernardini: He started his Ph.D. at the University of Sheffield in December 2002 after having previously got a master degree in Computer Science from the University of Pisa in Italy. His research is dedicated to the study of theoretical aspects of membrane computing (P systems) and discrete models of biological systems based on P systems. Marian Gheorghe, Ph.D.: His main research interests are in computational models and their applications to software modelling and testing, formal specifications of agent based systems, software engineering. He was investigating computational power of various generative devices (regular, context-free, fully initial; grammar systems; L-systems and variants). He is currently interested in natural computing (membrane calculus) and biological modelling.     

Cancer Cell Response to Anthracyclines Effects: Mysteries of the Hidden Proteins Associated with These Drugs

A comprehensive proteome map of T-lymphoblastic leukemia cells and its alterations after daunorubicin, doxorubicin and mitoxantrone treatments was monitored and evaluated either by paired comparison with relevant untreated control and using multivariate classification of treated and untreated samples. With the main focus on early time intervals when the influence of apoptosis is minimized, we found significantly different levels of proteins, which corresponded to 1%–2% of the total amount of protein spots detected. According to Gene Ontology classification of biological processes, the highest representation of identified proteins for all three drugs belong to metabolic processes of proteins and nucleic acids and cellular processes, mainly cytoskeleton organisation and ubiquitin-proteasome pathway. Importantly, we observed significant proportion of changes in proteins involved in the generation of precursor metabolites and energy typical for daunorubicin, transport proteins participating in response to doxorubicin and a group of proteins of immune system characterising response to mitoxantrone. Both a paired comparison and the multivariate evaluation of quantitative data revealed daunorubicin as a distinct member of the group of anthracycline/anthracenedione drugs. A combination of identified drug specific protein changes, which may help to explain anti-cancer activity, together with the benefit of blocking activation of adaptive cancer pathways, presents important approaches to improving treatment outcomes in cancer.     

Creation of arteriovenous fistulae for hemodialysis in octogenarians

Elderly patients, defined as octogenarians and nonagenarians, are an increasing population entering renal replacement therapy. Advanced age appears as an exclusive factor negatively influencing dialysis practice. Elderly patients are referred late for the initiation of hemodialysis and more likely are offered catheters rather than arteriovenous fistulae (AVF), which increase mortality and negatively affect quality of life. We present our approach to the creation of vascular access for hemodialysis in this demanding population. In 2006–2012, 39 patients aged 85.9 ± 2.05 with end‐stage renal disease, mainly resulting from ischemic nephropathy, were admitted to the Department of Nephrology to establish permanent vascular access for hemodialysis: preferably AVF. Temporary dialysis catheters were implanted in uremic emergency to bridge the time to fistula creation/maturation. AVF was attempted in 87.2% of the patients. Primary AVF function was achieved in 54% of the patients. Cumulative proportional survival of AVF at months 12 and 24 was 81.5%. Ninety‐four percent of AVF were localized on the forearm: 74% in the distal and 20% in the proximal part. Mean duration of hemodialysis therapy was 20.80 ± 19.45 months. The mean time of AVF use was 15.9 ± 20.2 months. Until present, 38% have been dialyzed using AVF for 31.0 ± 18.8 months. Five patients died with functioning fistula. Eight patients initiated hemodialysis therapy with fistula. During further observation, the use of AVF increased to 62%. Elderly patients should not be denied creation of AVF as a rule. The outcome of AVF benefits more from acknowledging individual vascular conditions rather than age of the patient.     

Synthesis and characterization of a titanium phosphate-tellurite glass for Faraday rotators

This work is focused on investigation of thermal, structural, optical, magnetic, and magneto-optical properties of novel titanium phosphate-tellurite glass applied as Faraday rotators. The glass belonging to the system 35Li₂O–10Al₂O₃–5TiO₂–45P₂O₅–5TeO₂ was prepared by a nonconventional wet route of raw materials processing, followed by melting-quenching-annealing steps. Some important physical properties of the investigated glass have been measured and calculated, providing knowledge related to glass compactness, electronic structure, glass forming capability, etc. XRD analysis evidenced an amorphous network structure of the investigated glass. The optical absorption in the Vis domain is mainly due to Ti³⁺ ions and Te₂ clusters formed during the glass melting process. A relatively low optical absorption is noticed over 600 nm that activates a significant Faraday magneto-optical effect. Photoluminescence bands in the blue, red, and infrared domains are observed, caused by Te₂ clusters formed during the glass melting process. The magnetization in dependency on applied magnetic field reveals a complex behavior of the glass, depending on temperature. Thus, it is found a ferromagnetic behavior up to 2000 Oe, a paramagnetic component up to 40 000 Oe, followed by a diamagnetic one over 40 000 Oe. Faraday rotation angle and Verdet constant values in the visible domain are correlated with the reduced TeO₂ content of the glass.     

A good practice for making training accessible to university faculty members through ICTs: syllabus planning support training

Universal Access in the Information Society - This study focuses on a case study developed at a higher education institution, which comprises developing a new virtual teaching unit (VTU) aimed at...