Crystalline and Spectroscopic Experimental Study of the Dinitromesithylen (DNM) Compared with the Theoretical Results

International audienceThe aim by our group is to understand the behavior of the grouping Me starting from the study of mols. having a great symmetry. In this part of work, it is had the cryst. structure of the dinitromesitylen (DNM) who is solved starting from the diffraction of x-​rays starting from a monocrystal at the ambient temp. Parallel to the exptl. study, we undertook theor. calcns. conformation of the insulated mol. of DNM by using the methods of the DFT (D. Functional Theory)​. Calcns. of optimization of the mol. conformation of the DNM by using the chain of program GAUSSIAN03 and functional MPW1PW91, B3LYP level with the 6-​311G and LANL2DZ bases gave a conformation Cs with results very close to the expt. for the lengths and the angles of bond. The computation results obtained starting from the base set (6-​311G) and functional MPW1PW91 give for the conformation of Dinitromesitylen (DNM) a good agreement of about a 1.9​% for the lengths of bond and 1.2​% for the angles of bond compared with the results of the diffraction of x-​rays. Calcns. of Raman and infra-​red spectroscopy undertaken starting from the results of optimization by using same functional MPW1PW91 and B3LYP and the sets of bases 6-​311G LanL2DZ led to the values of frequencies very close to the exptl. results

Prescribing Placebos: An Experimental Examination of the Role of Dose, Expectancies, and Adherence in Open-Label Placebo Effects

Background: Recent evidence indicates that placebo effects can occur even when patients know that they are taking a placebo, termed the open-label placebo effect. Aim: To assess whether placebo dose (1 pill per day versus 4 pills per day), treatment expectancies, and adherence contribute to open-label placebo effects. Method: Healthy undergraduate participants were randomly assigned to take 1 or 4 open-label placebo pills per day, or to a no treatment control group. Placebo-treated participants took a 5-day course of an open-label placebo described as enhancing physical (symptoms and sleep) and psychological (positive and negative emotional experience) wellbeing. Expectancies about placebo effectiveness and wellbeing were assessed at baseline, and wellbeing and adherence were assessed after the 5-day course of treatment. Results: Medium to large open-label placebo effects were evidenced in all wellbeing outcomes including sleep quality. Dose did not influence these effects. Both treatment expectancies and adherence were significant independent predictors of enhanced wellbeing in the two psychological wellbeing outcomes and the experience of physical symptoms but sleep quality improved independently. Conclusions: This the first study to demonstrate the effect of open-label placebos in improving wellbeing and sleep quality, and to show that open-label placebo reposes do not appear to be dose-dependent, but for most wellbeing outcomes are independently predicted by both positive expectancies and treatment adherence

Synthesis growth and optical properties of semi organic non linear optical single crystal

A new and efficient semi organic nonlinear optical crystal from the amino acid family has been grown by slow evaporation technique from aqueous solution. The crystals structures were solved by direct methods using SIR92 (WINGX) and refined by a full matrix least-square method using SHELXL97. All this compounds crystallized in noncentrosymetric groups. Second harmonic generation measurements were performed by applying the Kurtz and Perry model, to powder samples of compounds at 1,064 nm

Early-onset breast cancer in a Lebanese family with Lynch syndrome due to MSH2 gene mutation

<p>Abstract</p> <p>Background</p> <p>There are still controversies about the integration of breast cancer as a part of the disease spectrum in Lynch syndrome.</p> <p>Methods</p> <p>A regular follow-up of a Lebanese pedigree with Lynch syndrome due to a point mutation of MSH2 gene at the splice donor site of intron 3 started in 1996.</p> <p>Results</p> <p>A 26-year-old pregnant woman, mutation carrier, developed an aggressive breast cancer, refractory to standard chemotherapy regimens. The microsatellite analysis of the tumor showed an unstable pattern for markers BAT25 and BAT26. The immunohistochemical staining was negative for MSH2 and MSH6 and normal for MLH1 and PMS6 enzymes.</p> <p>Conclusion</p> <p>The segregation of the mutation with the disease phenotype and these results suggest that MSH2 inactivation may be involved in the accelerated breast carcinogenesis and might be considered in the cancer screening program.</p

A study of SNMP developments regarding to security and performance

La disponibilidad de la red de telecomunicaciones es esencial para todas las empresas porque sus ingresos están directamente relacionados con él. Así, los sistemas de gestión de red también se convirtieran en esencial. Sin embargo la importancia dada a la gestión de información por la mayoría de los administradores de red, los demás la consideran como inútil. Por lo tanto, la garantía de la gestión de datos no es levada en cuenta. El principal objetivo de este artículo es mostrar la importancia de la gestión de la red de datos y estimular el uso de la seguridad en los sistemas de gestión de red. El buen desempeño de los sistemas de gestión de red es también importante. Por lo tanto, algunas pruebas se realizan para verificar con qué intensidad lo rendimiento de los sistemas de gestión y de la red puede verse perjudicado por el uso de la criptografía y algoritmos, especialmente por el estándar cifrado AES, a fin de estudiar la viabilidad de lo conjunto SNMPv3 con AES. Estas pruebas se toman como una vista previa de una banda ancha de lo proyecto piloto Power Line Network Management (que traducido al español vendría a ser Gestión de la Comunicación por la Red Eléctrica) que se llevará a cabo en la principal empresa de transmisión de la red eléctrica en Goiás, Brasil.Telecommunication network availability is essential for all companies because their income is directly related to it. Because of this fact, network management systems also became essential, but the importance of managed information is faced by most network administrators as useless to others, therefore securing the management data is not considered. The main goal of this article is to show the importance of network management data and stimulate the use of security in network management systems. The good performance of network management systems are also important, therefore some tests are performed to verify how intensively the network and network manager performance can be injured by the use of cryptography algorithms and specially by the AES cryptographic standard in order to study the viability of the SNMPv3 with AES set. These tests are taken as a preview of a Broadband Power Line Network Management pilot project that is being implemented in the main electrical power transmission company in Goiás, Brazil.Workshop de Arquitecturas, Redes y Sistemas Operativos (WARSO)Red de Universidades con Carreras en Informática (RedUNCI

A study of SNMP developments regarding to security and performance

La disponibilidad de la red de telecomunicaciones es esencial para todas las empresas porque sus ingresos están directamente relacionados con él. Así, los sistemas de gestión de red también se convirtieran en esencial. Sin embargo la importancia dada a la gestión de información por la mayoría de los administradores de red, los demás la consideran como inútil. Por lo tanto, la garantía de la gestión de datos no es levada en cuenta. El principal objetivo de este artículo es mostrar la importancia de la gestión de la red de datos y estimular el uso de la seguridad en los sistemas de gestión de red. El buen desempeño de los sistemas de gestión de red es también importante. Por lo tanto, algunas pruebas se realizan para verificar con qué intensidad lo rendimiento de los sistemas de gestión y de la red puede verse perjudicado por el uso de la criptografía y algoritmos, especialmente por el estándar cifrado AES, a fin de estudiar la viabilidad de lo conjunto SNMPv3 con AES. Estas pruebas se toman como una vista previa de una banda ancha de lo proyecto piloto Power Line Network Management (que traducido al español vendría a ser Gestión de la Comunicación por la Red Eléctrica) que se llevará a cabo en la principal empresa de transmisión de la red eléctrica en Goiás, Brasil.Telecommunication network availability is essential for all companies because their income is directly related to it. Because of this fact, network management systems also became essential, but the importance of managed information is faced by most network administrators as useless to others, therefore securing the management data is not considered. The main goal of this article is to show the importance of network management data and stimulate the use of security in network management systems. The good performance of network management systems are also important, therefore some tests are performed to verify how intensively the network and network manager performance can be injured by the use of cryptography algorithms and specially by the AES cryptographic standard in order to study the viability of the SNMPv3 with AES set. These tests are taken as a preview of a Broadband Power Line Network Management pilot project that is being implemented in the main electrical power transmission company in Goiás, Brazil.Workshop de Arquitecturas, Redes y Sistemas Operativos (WARSO)Red de Universidades con Carreras en Informática (RedUNCI

Analyse mathématique et approximation numérique de modèles d'écoulements en milieux poreux

This thesis is devoted to Darcy Brinkman Forchheimer (DBF) equations with a non standard boundary conditions. We prove first the existence of different type of solutions (weak, strong) of the stationary DBF problem in a simply connected domain with boundary conditions on the normal component of the velocity field and the tangential component of the vorticity. Next, we consider Brinkman Forchheimer (BF) system with boundary conditions on the pressure in a non simply connected domain. We prove the well-posedness and the existence of a strong solution of this problem. We establish the regularity of the solution in the L^p spaces, for p >= 2.The approximation of the non stationary DBF problem is based on the pseudo-compressibility approach. The second order's error estimate is established in the case where the boundary conditions are of type Dirichlet or Navier. Finally, the finite elements Galerkin Discontinuous method is proposed and the convergence is settled concerning the linearized DBF problem and the non linear DBF system with a non standard boundary conditions.Cette thèse est consacrée à l'étude des équations du Darcy Brinkman Forchheimer (DBF) avec des conditions aux limites non standards. Nous montrons d'abord l'existence de différents type de solutions (faible, forte) correspondant au problème DBF stationnaire dans un domaine simplement connexe avec des conditions portants sur la composante normale du champ de vitesse et la composante tangentielle du tourbillon. Ensuite, nous considérons le système Brinkman Forchheimer (BF) avec des conditions sur la pression dans un domaine non simplement connexe. Nous prouvons que ce problème est bien posé ainsi que l'existence de la solution forte. Nous établissons la régularité de la solution dans les espaces L^p pour p >= 2.L'étude et l'approximation du problème DBF non stationnaire est basée sur une approche pseudo-compressibilité. Une estimation d'erreur d'ordre deux est établie dans le cas o\`u les conditions aux limites sont de types Dirichlet ou Navier.Enfin, une méthode d'éléments finis Galerkin Discontinue est proposée et la convergence établie concernant le problème DBF linéarisé et le système DBF non linéaire avec des conditions aux limites non standard

Analyse mathématique et approximation numérique de modèles d'écoulements en milieux poreux

Cette thèse est consacrée à l'étude des équations du Darcy Brinkman Forchheimer (DBF) avec des conditions aux limites non standards. Nous montrons d'abord l'existence de différents type de solutions (faible, forte) correspondant au problème DBF stationnaire dans un domaine simplement connexe avec des conditions portants sur la composante normale du champ de vitesse et la composante tangentielle du tourbillon. Ensuite, nous considérons le système Brinkman Forchheimer (BF) avec des conditions sur la pression dans un domaine non simplement connexe. Nous prouvons que ce problème est bien posé ainsi que l'existence de la solution forte. Nous établissons la régularité de la solution dans les espaces L^p pour p >= 2.L'étude et l'approximation du problème DBF non stationnaire est basée sur une approche pseudo-compressibilité. Une estimation d'erreur d'ordre deux est établie dans le cas o\`u les conditions aux limites sont de types Dirichlet ou Navier.Enfin, une méthode d'éléments finis Galerkin Discontinue est proposée et la convergence établie concernant le problème DBF linéarisé et le système DBF non linéaire avec des conditions aux limites non standard.This thesis is devoted to Darcy Brinkman Forchheimer (DBF) equations with a non standard boundary conditions. We prove first the existence of different type of solutions (weak, strong) of the stationary DBF problem in a simply connected domain with boundary conditions on the normal component of the velocity field and the tangential component of the vorticity. Next, we consider Brinkman Forchheimer (BF) system with boundary conditions on the pressure in a non simply connected domain. We prove the well-posedness and the existence of a strong solution of this problem. We establish the regularity of the solution in the L^p spaces, for p >= 2.The approximation of the non stationary DBF problem is based on the pseudo-compressibility approach. The second order's error estimate is established in the case where the boundary conditions are of type Dirichlet or Navier. Finally, the finite elements Galerkin Discontinuous method is proposed and the convergence is settled concerning the linearized DBF problem and the non linear DBF system with a non standard boundary conditions