MODELISATION DE MACROCYCLES BICY CLOPHOSPHORANIQUES

Abstract

La modélisation de 14 macrocycles bicyclophosphoraniques des types I, II et III a été réussie à l'aide du programme Biosym. V95 basé sur le champ de forces ESFF et utilisant les deux modules Insight II et Discover 3.

Molecular modeling of 14 bicyclophosphoranic macrocycles I, II and III has been carried out using Biosym V95 program based on the ESFF forcefield and including the modules Insight II and Discover 3.     

A methodology to benchmark flexible payload architectures in a megaconstellation use case

This paper proposes a methodology to benchmark satellite payload architectures and find the optimal trade‐offs between high flexibility and low complexity. High flexibility would enable the satellite to adapt to various distributions of user terminals on the ground and fulfill the data rate demand of these users. Besides, low complexity is required to keep satellite networks competitive in the context of emerging 5G networks. To estimate the flexibility of a payload, an indicator to characterize the non‐uniformity of user distributions is proposed. Each benchmarked payload may be characterized by a graph relating the throughput to this parameter further denoted . The payload provides the same throughput trends for different scenarios of user distributions with the same parameter. As a consequence, the average capacity of the system may be estimated by (a) calculating the probability distribution of over the orbit and (b) integrating the throughput based on this payload response. It thus results in a straightforward way for benchmarking payloads directly on an estimation of the averaged capacity, accounting for the user distribution over the earth. A simulation platform has been developed to characterize the payload throughput including the implementation of a resource allocation algorithm that accounts for constraints of various payloads. Using this definition and the developed tool, we benchmark a bent‐pipe architecture, a beam hopping architecture and a hybrid beam‐steering architecture for a LEO megaconstellation use case. The methodology showcases the interest for investigating different payload architectures depending on realistic traffic scenario analysis.     

A nonconvex formulation for low rank subspace clustering: algorithms and convergence analysis

We consider the problem of subspace clustering with data that is potentially corrupted by both dense noise and sparse gross errors. In particular, we study a recently proposed low rank subspace clustering approach based on a nonconvex modeling formulation. This formulation includes a nonconvex spectral function in the objective function that makes the optimization task challenging, e.g., it is unknown whether the alternating direction method of multipliers (ADMM) framework proposed to solve the nonconvex model formulation is provably convergent. In this paper, we establish that the spectral function is differentiable and give a formula for computing the derivative. Moreover, we show that the derivative of the spectral function is Lipschitz continuous and provide an explicit value for the Lipschitz constant. These facts are then used to provide a lower bound for how the penalty parameter in the ADMM method should be chosen. As long as the penalty parameter is chosen according to this bound, we show that the ADMM algorithm computes iterates that have a limit point satisfying first-order optimality conditions. We also present a second strategy for solving the nonconvex problem that is based on proximal gradient calculations. The convergence and performance of the algorithms is verified through experiments on real data from face and digit clustering and motion segmentation.     

The electronic booklet on teaching-learning process: Teacher vision and parents of students in primary and secondary education

This article presents the first phase of a research project whose purpose is to introduce a new form of collaboration and communication between the school and the family through an Electronic Booklet (EB). The EB was developed due to the increasing necessity of collaboration between the school and the family, promoting the teaching-learning process and educational success, supported by information and communication technologies. These conclusions and justifications were derived from a survey based in a questionnaire applied to guardians and teachers of several private and public Portuguese schools of the primary and secondary education level. Both groups – guardians and teachers stressed the importance of communication between school and family and expressed interest in the EB as a communication tool. The analysis of the survey results made possible the construction of an Electronics Booklet prototype.     

Laser stabilization to an atomic transition using an optically generated dispersive line shape

We report a simple and robust technique to generate a dispersive signal which serves as an error signal to electronically stabilize a monomode continuous-wave laser emitting around an atomic resonance. We explore nonlinear effects in the laser beam propagation through a resonant vapor by way of spatial filtering. The performance of this technique is validated by locking semiconductor lasers to the cesium and rubidium D₂ lines and observing long-term reduction of the emission frequency drifts, making the lasers well adapted for many atomic physics applications.     

Polyarginine nanocapsules: a new platform for intracellular drug delivery

This report describes the development of a new nanocarrier, named as polyarginine (PArg) nanocapsules, specifically designed for overcoming cellular barriers. These nanocapsules are composed of an oily core and a PArg corona. The attachment of the PArg corona was mediated by its interaction with the oily core, which was conveniently stabilized with phosphatidylcholine. Hybrid PArg/PEG nanocapsules could also be obtained by introducing PEG-stearate in the nanocapsules formation process. The nanocapsules had an average size in the range of 120–160 nm, and a positive surface charge, which varied between +56 and +28 mV for PArg and PArg/PEG nanocapsules, respectively. They could accommodate significant amounts of lipophilic drugs, i.e., docetaxel, in their core, and also polar negatively charged molecules, i.e., plasmid DNA, on their coating. As a preliminary proof-of-principle, we explored the ability of these nanocarriers to enter cancer cells and to inhibit proliferation in the non-small cell lung cancer NCI-H460 cell line, using flow cytometry and confocal microscopy analysis. The results indicated that PArg nanocapsules are rapidly and massively accumulated into the NCI-H460 cells and that the PArg shell plays a critical role in the internalization process. Moreover, the incubation with docetaxel-loaded nanocapsules with NCI-H460 cells led to an enhanced inhibition of their proliferation, as compared to the free drug. Overall, this is the first report of the potential of PArg nanocapsules as intracellular drug delivery vehicles.

     

An efficient and scalable block parallel algorithm of Neville elimination as a tool for the CMB maps problem

This paper analyses the performance of several versions of a block parallel algorithm in order to apply Neville elimination in a distributed memory parallel computer. Neville elimination is a procedure to transform a square matrix A into an upper triangular one. This analysis must take into account the algorithm behaviour as far as execution time, efficiency and scalability are concerned. Special attention has been paid to the study of the scalability of the algorithms trying to establish the relationship existing between the size of the block and the performance obtained in this metric. It is important to emphasize the high efficiency achieved in the studied cases and that the experimental results confirm the theoretical approximation. Therefore, we have obtained a high predicting ability tool of analysis. Finally, we will present the elimination of Neville as an efficient tool in detecting point sources in cosmic microwave background maps.