Atomistic studies of <110] screw dislocation core structures and glide in γ-TiAl

The core structure of <110] superdislocations in L10 TiAl was investigated with a view to clarifying their dissociation abilities and the mechanisms by which they may become sessile by self-locking. A detailed knowledge of the fine structure of dislocations is essential in analysing the origin of the various deformation features. Atomistic simulation of the core structure and glide of the screw <110] superdislocation was carried out using a bond order potential for ?-TiAl. The core structure of the screw <110] superdislocation was examined, starting with initial unrelaxed configurations corresponding to various dislocation dissociations discussed in the literature. The superdislocation was found to possess in the screw orientation either planar (glissile) or non-planar (sessile) core structures. The response of the core configurations to externally applied shear stress was studied. Some implications were considered of the dissociated configurations and their response to externally applied stress on dislocation dynamics, including the issue of dislocation decomposition, the mechanism of locking and the orientation dependence of the dislocation substructure observed in single-phase ?-TiAl. An unexpectedly rich and complex set of candidate core structures, both planar and non-planar, was found, the cores of which may transform under applied stress with consequent violation of Schmid's law.

Hierarchical synthesis of complex DSP functions on FPGAs

SoC systems are now being increasingly constructed using a hierarchy of subsystems or silicon Intellectual Property (IP) cores. The key challenge is to use these cores in a highly efficient manner which can be difficult as the internal core structure may not be known. A design methodology based on synthesizing hierarchical circuit descriptions is presented. The paper employs the MARS synthesis scheduling algorithm within the existing IRIS synthesis flow and details how it can be enhanced to allow for design exploration of IP cores. It is shown that by accessing parameterised expressions for the datapath latencies in the cores, highly efficient FPGA solutions can be achieved. Hardware sharing at both the hierarchical and flattened levels is explored for a normalized lattice filter and results are presented.

Complex molecule formation in grain mantles

Context. Complex molecules such as ethanol and dimethyl ether have been observed in a number of hot molecular cores and hot corinos. Attempts to model the molecular formation process using gas phase only models have so far been unsuccessful. Aims. To demonstrate that grain surface processing is a viable mechanism for complex molecule formation in these environments. Methods. A variable environment parameter computer model has been constructed which includes both gas and surface chemistry. This is used to investigate a variety of cloud collapse scenarios. Results. Comparison between model results and observation shows that by combining grain surface processing with gas phase chemistry complex molecules can be produced in observed abundances in a number of core and corino scenarios. Differences in abundances are due to the initial atomic and molecular composition of the core/corino and varying collapse timescales. Conclusions. Grain surface processing, combined with variation of physical conditions, can be regarded as a viable method for the formation of complex molecules in the environment found in the vicinity of a hot core/corino and produce abundances comparable to those observed.

A metal complex that imitates a micelle

A metal complex with a micelle-like, core-shell structure adopts higher nuclearity in water than in organic solvents, thereby imitating also the growth of a micelle, but through covalent rather than non-covalent aggregation.

Micromethods for the characterization of lipid A-core and O-antigen lipopolysaccharide

Methods for rapid and simple analysis of lipopolysaccharide (LPS) from bacterial whole-cell lysates or membrane preparations have contributed to advancing our knowledge of the genetics of the LPS biogenesis. LPS, a major constituent of the outer membranes in Gram-negative bacteria, has a complex mechanism of synthesis and assembly that requires the coordinated participation of many genes and gene products. This chapter describes a collection of methods routinely used in our laboratory for the characterization of LPS in Escherichia coli and other bacteria.

Novel ruthenium-terpyridyl complex for direct oxidation of amines to nitriles

High catalytic activity and selectivity has been demonstrated for the oxidation of both aliphatic and aromatic amines to nitriles under benign conditions with dioxygen or air using the Ru2Cl4(az-tpy)(2) complex. The conversion was found to be strongly influenced by the alkyl chain length of the reactant with shorter chain amines found to have lower conversions than those with longer chains. Importantly, by using the ruthenium terpyridine complex functionalized with azulenyl moiety at the 4 position of central pyridine core provided a much higher reactivity catalyst compared with a series of ruthenium terpyridine-based ligand complexes reported. Mechanistic studies using deuterated benzylamine demonstrated the importance of RuOH in this reaction.

Soft-core Stream Processor for Sliding Window Applications

Software-programmable `soft' processors have shown tremendous potential for efficient realisation of high performance signal processing operations on Field Programmable Gate Array (FPGA), whilst lowering the design burden by avoiding the need to design fine-grained custom circuit archi-tectures. However, the complex data access patterns, high memory bandwidth and computational requirements of sliding window applications, such as Motion Estimation (ME) and Matrix Multiplication (MM), lead to low performance, inefficient soft processor realisations. This paper resolves this issue, showing how by adding support for block data addressing and accelerators for high performance loop execution, performance and resource efficiency over four times better than current best-in-class metrics can be achieved. In addition, it demonstrates the first recorded real-time soft ME estimation realisation for H.263 systems.

Soft-core Stream Processing on FPGA: An FFT Case Study

The increasing design complexity associated with modern Field Programmable Gate Array (FPGA) has prompted the emergence of 'soft'-programmable processors which attempt to replace at least part of the custom circuit design problem with a problem of programming parallel processors. Despite substantial advances in this technology, its performance and resource efficiency for computationally complex operations remains in doubt. In this paper we present the first recorded implementation of a softcore Fast-Fourier Transform (FFT) on Xilinx Virtex FPGA technology. By employing a streaming processing architecture, we show how it is possible to achieve architectures which offer 1.1 GSamples/s throughput and up to 19 times speed-up against the Xilinx Radix-2 FFT dedicated circuit with comparable cost.

Rydberg structure associated with core-excited autoionizing states of the LiH radical

We have investigated inner-shell excitation of the LiH + molecular ion by electron impact within several different collision models to delineate Rydberg autoionizing resonance structure associated with the LiH + (1σ2σ 2 2 Σ + ) core-excited threshold. The minimal representation requires only the retention of the 1σ and 2σ molecular orbitals, in which the core-excited state involves the promotion of a single electron into the 2σ orbital. This model is extended to include two further representations, in which both the 3σ and 4σ orbitals obtained from a self-consistent field calculation improve target representation, correlation and support additional autoionization channels. This affects the autoionization widths and to a lesser degree the positions of the LiH (1σ2σ 2 n s, n p 1,3 Σ + ) resonance series. Comparing our work with calculations on the counterpart atomic Be system assists in the assignment of the core-excited molecular resonance states. The results from our investigation provide helpful insights into the study of inner-shell transitions produced by electron or photon impact in more complex diatomic molecules.

Crianças com défices no controlo motor: contributo para a elaboração do core set da Classificação Internacional de Funcionalidade, Incapacidade e Saúde (CIF)

A CIF é um sistema de classificação adotado pela OMS, que serve de referência universal para descrever, avaliar e medir saúde e incapacidade, a nível individual e ao nível da população. Contudo, apesar do interesse internacional gerado em torno da CIF, esta é considerada uma classificação complexa e extensa, fato que despoletou a criação de core sets – listas de itens da CIF especificamente selecionados pela sua relevância na descrição e qualificação de uma determinada condição de saúde – como resposta a esta problemática. Até à data, foram desenvolvidos core sets para várias patologias comuns. Contudo, apesar do controlo motor ser uma área de investigação muito reconhecida nos últimos 20 anos, ainda não possui um core set próprio. Assim, o objetivo deste estudo é contribuir para o desenvolvimento de um core set, com base na CIF-CJ, dirigido para uma descrição abrangente das competências inerentes a crianças, dos 6 aos 18 anos de idade, com défices no controlo motor. Deste modo, recorreu-se a uma revisão da literatura sobre a temática em estudo, de modo a reunir informação para a construção de uma proposta a core set, posteriormente sujeita ao escrutínio de peritos, através do recurso ao método de Delphi. Após várias rondas, foi alcançado um consenso acerca da lista final de códigos CIF que constituem o core set final.

Implementation of Multi-Core Processor Based on PLASMA (Most MIPS I) IP Core

Multi-core processors is a design philosophy that has become mainstream in scientific and engineering applications. Increasing performance and gate capacity of recent FPGA devices has permitted complex logic systems to be implemented on a single programmable device. By using VHDL here we present an implementation of one multi-core processor by using the PLASMA IP core based on the (most) MIPS I ISA and give an overview of the processor architecture and share theexecution results.

Mammalian Target of Rapamycin Complex 2 Controls CD8 T Cell Memory Differentiation in a Foxo1-Dependent Manner.

Upon infection, antigen-specific naive CD8 T cells are activated and differentiate into short-lived effector cells (SLECs) and memory precursor cells (MPECs). The underlying signaling pathways remain largely unresolved. We show that Rictor, the core component of mammalian target of rapamycin complex 2 (mTORC2), regulates SLEC and MPEC commitment. Rictor deficiency favors memory formation and increases IL-2 secretion capacity without dampening effector functions. Moreover, mTORC2-deficient memory T cells mount more potent recall responses. Enhanced memory formation in the absence of mTORC2 was associated with Eomes and Tcf-1 upregulation, repression of T-bet, enhanced mitochondrial spare respiratory capacity, and fatty acid oxidation. This transcriptional and metabolic reprogramming is mainly driven by nuclear stabilization of Foxo1. Silencing of Foxo1 reversed the increased MPEC differentiation and IL-2 production and led to an impaired recall response of Rictor KO memory T cells. Therefore, mTORC2 is a critical regulator of CD8 T cell differentiation and may be an important target for immunotherapy interventions.

The fusion protein SS18-SSX1 employs core Wnt pathway transcription factors to induce a partial Wnt signature in synovial sarcoma.

Expression of the SS18/SYT-SSX fusion protein is believed to underlie the pathogenesis of synovial sarcoma (SS). Recent evidence suggests that deregulation of the Wnt pathway may play an important role in SS but the mechanisms whereby SS18-SSX might affect Wnt signaling remain to be elucidated. Here, we show that SS18/SSX tightly regulates the elevated expression of the key Wnt target AXIN2 in primary SS. SS18-SSX is shown to interact with TCF/LEF, TLE and HDAC but not β-catenin in vivo and to induce Wnt target gene expression by forming a complex containing promoter-bound TCF/LEF and HDAC but lacking β-catenin. Our observations provide a tumor-specific mechanistic basis for Wnt target gene induction in SS that can occur in the absence of Wnt ligand stimulation.

Polysaccharide-based Polyion Complex Micelles as New Delivery Systems for Hydrophilic Cationic Drugs

Les micelles polyioniques ont émergé comme des systèmes prometteurs de relargage de médicaments hydrophiles ioniques. Le but de cette étude était le développement des micelles polyioniques à base de dextrane pour la relargage de médicaments hydrophiles cationiques utilisant une nouvelle famille de copolymères bloc carboxymethyldextran-poly(éthylène glycol) (CMD-PEG). Quatre copolymères CMD-PEG ont été préparés dont deux copolymères identiques en termes de longueurs des blocs de CMD et de PEG mais différent en termes de densité de charges du bloc CMD; et deux autres copolymères dans lesquels les blocs chargés sont les mêmes mais dont les blocs de PEG sont différents. Les propriétés d’encapsulation des micelles CMD-PEG ont été évaluées avec différentes molécules cationiques: le diminazène (DIM), un médicament cationique modèle, le chlorhydrate de minocycline (MH), un analogue semi-synthétique de la tétracycline avec des propriétés neuro-protectives prometteuses et différents antibiotiques aminoglycosidiques. La cytotoxicité des copolymères CMD-PEG a été évaluée sur différentes lignées cellulaires en utilisant le test MTT et le test du Bleu Alamar. La formation de micelles des copolymères de CMD-PEG a été caractérisée par différentes techniques telles que la spectroscopie RMN 1H, la diffusion de la lumière dynamique (DLS) et la titration calorimétrique isotherme (ITC). Le taux de relargage des médicaments et l’activité pharmacologique des micelles contenant des médicaments ont aussi été évalués. Les copolymères CMD-PEG n'ont induit aucune cytotoxicité dans les hépatocytes humains et dans les cellules microgliales murines (N9) après 24 h incubation pour des concentrations allant jusqu’à 15 mg/mL. Les interactions électrostatiques entre les copolymères de CMD-PEG et les différentes drogues cationiques ont amorcé la formation de micelles polyioniques avec un coeur composé du complexe CMD-médicaments cationiques et une couronne composée de PEG. Les propriétés des micelles DIM/CMDPEG ont été fortement dépendantes du degré de carboxyméthylation du bloc CMD. Les micelles de CMD-PEG de degré de carboxyméthylation du bloc CMD ≥ 60 %, ont incorporé jusqu'à 64 % en poids de DIM et ont résisté à la désintégration induite par les sels et ceci jusqu'à 400 mM NaCl. Par contre, les micelles de CMD-PEG de degré de carboxyméthylation ~ 30% avaient une plus faible teneur en médicament (~ 40 % en poids de DIM) et se désagrégeaient à des concentrations en sel inférieures (∼ 100 mM NaCl). Le copolymère de CMD-PEG qui a montré les propriétés micellaires les plus satisfaisantes a été sélectionné comme système de livraison potentiel de chlorhydrate de minocycline (MH) et d’antibiotiques aminoglycosidiques. Les micelles CMD-PEG encapsulantes de MH ou d’aminoglycosides ont une petite taille (< 200 nm de diamètre), une forte capacité de chargement (≥ 50% en poids de médicaments) et une plus longue période de relargage de médicament. Ces micelles furent stables en solution aqueuse pendant un mois; après lyophilisation et en présence d'albumine sérique bovine. De plus, les micelles ont protégé MH contre sa dégradation en solutions aqueuses. Les micelles encapsulant les drogues ont maintenu les activités pharmacologiques de ces dernières. En outre, les micelles MH réduisent l’inflammation induite par les lipopolysaccharides dans les cellules microgliales murines (N9). Les micelles aminoglycosides ont été quant à elles capable de tuer une culture bactérienne test. Toutefois les micelles aminoglycosides/CMDPEG furent instables dans les conditions physiologiques. Les propriétés des micelles ont été considérablement améliorées par des modifications hydrophobiques de CMD-PEG. Ainsi, les micelles aminoglycosides/dodecyl-CMD-PEG ont montré une taille plus petite et une meilleure stabilité aux conditions physiologiques. Les résultats obtenus dans le cadre de cette étude montrent que CMD-PEG copolymères sont des systèmes prometteurs de relargage de médicaments cationiques.

Study of baleen whales’ ecology and interaction with maritime traffic activities to support management of a complex socio-ecological system

Thesis written in co-mentorship with Robert Michaud.