Search results for "computational"
showing 10 items of 5884 documents
Large-eddy simulations of turbulent flow with heat transfer in simple and complex geometries using Harwell-FLOW3D
1996
Abstract Large-eddy simulation (LES) results are presented and discussed for the turbulent flow with heat transfer in different geometrical configurations, including a plane channel, a channel bearing transverse square ribs on one of the walls, and a crossed-corrugated air heater. They were obtained using the computational fluid dynamics (CFD) code Harwell-FLOW3D (Release 2), finite-volume grids having up to 423 nodes, and the Smagorinsky subgrid model with several variants regarding near-wall damping and wall boundary conditions. The first problem (plane turbulent Poiseuille flow with heat transfer) was mainly used as a benchmark to investigate the influence of numerical methods (pressure-…
New client puzzle approach for DoS resistance in ad hoc Networks
2010
In this paper we propose a new client puzzle approach to prevent Denial of Service (DoS) attacks in ad hoc networks. Each node in the network first solves a computational problem and with the solution has to create and solve a client puzzle. By combining computational problems with puzzles, we improve the efficiency and latency of the communicating nodes and resistance in DoS attacks. Experimental results show the effectiveness of our approach.
Molecular diagnostics in gastric cancer.
2014
Despite recent advances in individualised targeted therapy, gastric cancer remains one of the most challenging diseases in gastrointestinal oncology. Modern imaging techniques using endoscopic filter devices and in vivo molecular imaging are designed to enable early detection of the cancer and surveillance of patients at risk. Molecular characterisation of the tumour itself as well as of the surrounding inflammatory environment is more sophisticated in the view of tailored therapies and individual prognostic assessment. The broad application of high throughput techniques for the description of genome wide patterns of structural (copy number aberrations, single nucleotide polymorphisms, meth…
Monte Carlo dosimetric study of Best Industries and Alpha Omega Ir-192 brachytherapy seeds
2004
Ir-192 seeds are widely used in the USA for low dose rate interstitial brachytherapy. There are two commercially available models: those manufactured by Best Industries filtered with stainless steel, and those manufactured by Alpha-Omega seeds filtered with Pt. Newly developed 3D correction algorithms for brachytherapy are based on dosimetry data obtained on unbounded phantom size, allowing corrections for heterogeneities and actual tissue boundaries. Published dosimetric datasets for both seeds have been obtained under bounded conditions. The aim of the present study is to obtain dosimetric datasets for these seeds under full scatter conditions. The Monte Carlo GEANT4 code has been used to…
A particle based simulation model for glacier dynamics
2013
This publication is contribution number 22 of the Nordic Centre of Excellence SVALI, “Stability and Variations of Arctic Land Ice”, funded by the Nordic Top-level Research Initiative (TRI). The work has been supported by the SVALI project through the University of Lapland, Arctic Centre, and through the University Centre in Svalbard. Funding was also provided by the Conoco-Phillips and Lunding High North Research Program (CRIOS: Calving Rates and Impact on Society). A particle-based computer simulation model was developed for investigating the dynamics of glaciers. In the model, large ice bodies are made of discrete elastic particles which are bound together by massless elastic beams. These…
Binding Profiles of Self-Assembled Supramolecular Cages from ESI-MS Based Methodology
2018
Confined molecular environments have peculiar characteristics that make their properties unique in the field of biological and chemical sciences. In recent years, advances in supramolecular capsule and cage synthesis have presented the possibility to interpret the principles behind their self‐assembly and functions, which has led to new molecular systems that display outstanding properties in molecular recognition and catalysis. Herein, we report a rapid method based on ESI‐MS to determine the binding profiles for linear saturated dicarboxylic acids in a series of different cages. The cages were obtained by self‐assembly of modified tris(pyridylmethyl)amine (TPMA) complexes and diamines cho…
Genetic and Molecular Characterization of The Human Osteosarcoma 3AB-OS Cancer Stem Cell Line: A Possible Model For Studying Osteosarcoma Origin and …
2013
Finding new treatments targeting cancer stem cells (CSCs) within a tumor seems to be critical to halt cancer and improve patient survival. Osteosarcoma is an aggressive tumor affecting adolescents, for which there is no second-line chemotherapy. Uncovering new molecular mechanisms underlying the development of osteosarcoma and origin of CSCs is crucial to identify new possible therapeutic strategies. Here, we aimed to characterize genetically and molecularly the human osteosarcoma 3AB-OS CSC line, previously selected from MG63 cells and which proved to have both in vitro and in vivo features of CSCs. Classic cytogenetic studies demonstrated that 3AB-OS cells have hypertriploid karyotype wit…
Density Functional Theory Investigation on the Nucleation and Growth of Small Palladium Clusters on a Hyper-Cross-Linked Polystyrene Matrix
2014
Density functional theory calculations were employed to investigate the nucleation and growth of small palladium clusters, up to Pd9, into a microcavity of the porous hyper-cross-linked polystyrene (HPS). The geometries and the electronic structures of the palladium clusters inside the HPS cavity, following the one-by-one atom addition, are affected by a counterbalance between the Pd–phenyl (Pd−Φ) and Pd–Pd interactions. The analysis performed on energetics, cavity distortions, and cluster geometries indeed suggest that the cluster growth is dominated by the Pd−Φ interactions up to the formation of Pd4 aggregates, whereas the metal–metal interactions actually rule the growth of the larger c…
Theoretical study of nitrogen heterocyclics. IV. Molecular diagrams and carcinogenic activity of some naphthindoles
2010
Molecular-orbital calculations of structural static parameters (bond orders, π-electron densities and free valences) and dynamic indices (atom, ortho- and para-localization energies) are presented for a number of naphthindoles. The results are used to predict the chemical properties of the molecules. We have made a comparison of the carcinogenic inactivity and the static and dynamic complex indices used to characterize the K region in some benzindoles and these naphthindoles.
Theoretical evaluation of structures and energetics involved in the hydrogenation of hydrocarbons on palladium surfaces
2001
Abstract Quantum mechanical calculations were employed to deepen information about the basic properties of the mechanism occurring in the palladium catalytic hydrogenation involving surface hydrogen species of unsaturated hydrocarbons. Activation energy values of elementary events implicated in the whole reaction were computed by potential energy surface analyses, to determine the corresponding occurrence probabilities of the same events. Different surface hydrogen species were pointed out and their relevance in the overall surface process was discussed together with their geometrical and chemical characteristics.