A kinetic formulation for multidimensional scalar conservation laws with boundary conditions and applications

International audienceWe state a kinetic formulation of weak entropy solutions of a general multidimensional scalar conservation law with initial and boundary conditions. We first associate with any weak entropy solution a entropy defect measure; the analysis of this measure at the boundary of the domain relies on the study of weak entropy sub and supersolutions and implies the introduction of the notion of sided boundary defect measures. As a first application, we prove that any weak entropy subsolution of the initial-boundary value problem is bounded above by any weak entropy supersolution (Comparison Theorem). We next study a BGK-like kinetic model that approximates the scalar conservation law. We prove that such a model converges by adapting the proof of the Comparison Theorem

What "best practice" could be in Palliative Care: an analysis of statements on practice and ethics expressed by the main Health Organizations

<p>Abstract</p> <p>Background</p> <p>In palliative care it would be necessary to refer to a model. Nevertheless it seems that there are no official statements which state and describe that model. We carried out an analysis of the statements on practice and ethics of palliative care expressed by the main health organizations to show which dimensions of end-of-life care are taken into consideration.</p> <p>Methods</p> <p>The official documents by the most representative health organisations committed to the definition of policies and guidelines for palliative and end-of-life care had been considered. The documents were analysed through a framework of the components of end-of-life care derived from literature, which was composed of 4 main "areas" and of 12 "sub-areas".</p> <p>Results</p> <p>Overall, 34 organizations were identified, 7 international organisations, and 27 organisations operating on the national level in four different countries (Australia, Canada, UK and United States). Up to 56 documents were selected and analysed. Most of them (38) are position statements. Relevant quotations from the documents were presented by "areas" and "sub-areas". In general, the "sub-areas" of symptoms control as well as those referring to relational and social issues are more widely covered by the documents than the "sub-areas" related to "preparation" and to "existential condition". Indeed, the consistency of end-of-life choices with the patient's wishes, as well as completion and meaningfulness at the end of life is given only a minor relevance.</p> <p>Conclusions</p> <p>An integrated model of the best palliative care practice is generally lacking in the documents. It might be argued that the lack of a fixed and coherent model is due to the relevance of unavoidable context issues in palliative care, such as specific cultural settings, patient-centred variables, and family specificity. The implication is that palliative care staff have continuously to adapt their model of caring to the specific needs and values of each patient, more than applying a fixed, although maybe comprehensive, care model.</p

Dynamical matrix eigenvectors in crystals : experimental determination for naphthalene and anthracene

A method is proposed for the determination of the dynamical matrix eigenvectors in crystals from the Raman scattering relative intensities of the lattice modes. Numerical applications are performed for naphthalene and anthracene whose low frequency Raman scattering lines are reinvestigated (for both single crystals and polycrystalline sample spectra). Molecular anisotropies in crystals are used. Due to the uncertainties of the experimental intensities a relatively good agreement is observed between these eigenvectors and those given by the solution of the Lagrangian problem. Moreover, the method clearly shows that these eigenvectors are highly temperature dependent.Nous présentons une méthode permettant de déterminer les vecteurs propres des matrices dynamiques à partir des intensités relatives des raies de diffusion Raman caractérisant les modes de vibration de réseau. Nous appliquons cette méthode aux cristaux de naphtalène et d'anthracène dont les propriétés spectrales de basse fréquence ont été analysées de nouveau (tant pour des échantillons monocristallins que pulvérulents). Nous soulignons l'importance de considérer les anisotropies des molécules dans le cristal et non celles qui sont relatives aux molécules isolées. Compte tenu des imprecisions d'une part dues aux mesures des intensités, d'autre part celles inhérentes à la méthode de calcul, nous trouvons néanmoins un accord satisfaisant entre les vecteurs propres déterminés ainsi, avec ceux donnés directement par la résolution du déterminant séculaire. De plus, cette méthode montre que ces vecteurs propres sont extrêmement sensibles à la température

The active site of drosomycin, a small insect antifungal protein, delineated by comparison with the modeled structure of Rs-AFP2, a plant antifungal protein.

International audienceDrosomycin is the first strictly antifungal protein isolated from an insect (Drosophila melanogaster). The solution structure of this 44-residue protein has been reported previously. It involves a three-stranded beta-sheet and an alpha-helix, the protein global fold being maintained by four disulfide bridges. Rs-AFP2 is a plant antifungal protein exhibiting 41% sequence similarity with drosomycin. Mutational analysis of Rs-AFP2 showed the importance of some residues in the antifungal activity of the protein against the fungus target. In order to determine the structural features responsible for antifungal activity in both drosomycin and Rs-AFP2, we modeled the three-dimensional structure of Rs-AFP2, and of other antifungal proteins, using the solution structure of drosomycin as a template. Structure analysis of drosomycin and Rs-AFP2, and comparisons with the other modeled antifungal structures, revealed that the two proteins shared a hydrophobic cluster located at the protein surface in which a lysine residue is embedded. Based on these close structural similarities and the experimental data available for Rs-AFP2 mutants, an antifungal active site of the insect protein is proposed

Characterization of the UDP-N- acetylgalactosamine binding domain of bovine polypeptide α N-acetylgalactosaminyltranferase T1

UDP-GalNAc:polypeptide {alpha}N-acetylgalactosaminyltransferases (ppGaNTases) transfer GalNAc from UDP-GalNAc to Ser or Thr. Structural features underlying their enzymatic activity and their specificity are still unidentified. In order to get some insight into the donor substrate recognition, we used a molecular modelling approach on a portion of the catalytic site of the bovine ppGaNTase-T1. Fold recognition methods identified as appropriate templates the bovine {alpha}1,3galactosyltransferase and the human {alpha}1,3N-acetylgalactosaminyltransferase. A model of the ppGaNTase-T1 nucleotide-sugar binding site was built into which the UDP-GalNAc and the Mn2+ cation were docked. UDP-GalNAc fits best in a conformation where the GalNAc is folded back under the phosphates and is maintained in that special conformation through hydrogen bonds with R193. The ribose is found in van der Waals contacts with F124 and L189. The uracil is involved in a stacking interaction with W129 and forms a hydrogen bond with N126. The Mn2+ is found in coordination both with the phosphates of UDP and the DXH motif of the enzyme. Amino acids in contact with UDP-GalNAc in the model have been mutated and the corresponding soluble forms of the enzyme expressed in yeast. Their kinetic constants confirm the importance of these amino acids in donor substrate interactions