Deliberately Losing Control of C−H Activation Processes in the Design of Small-Molecule-Fragment Arrays Targeting Peroxisomal Metabolism

Combined photochemical arylation, “nuisance effect” (S_NAr) reaction sequences have been employed in the design of small arrays for immediate deployment in medium-throughput X-ray protein–ligand structure determination. Reactions were deliberately allowed to run “out of control” in terms of selectivity; for example the ortho-arylation of 2-phenylpyridine gave five products resulting from mono- and bisarylations combined with S_NAr processes. As a result, a number of crystallographic hits against NUDT7, a key peroxisomal CoA ester hydrolase, have been identified.     

Optimizing BRDF orientations for the manipulation of anisotropic highlights

This paper introduces a system for the direct editing of highlights produced by anisotropic BRDFs, which we call anisotropic highlights. We first provide a comprehensive analysis of the link between the direction of anisotropy and the shape of highlight curves for arbitrary object surfaces. The gained insights provide the required ingredients to infer BRDF orientations from a prescribed highlight tangent field. This amounts to a non‐linear optimization problem, which is solved at interactive framerates during manipulation. Taking inspiration from sculpting software, we provide tools that give the impression of manipulating highlight curves while actually modifying their tangents. Our solver produces desired highlight shapes for a host of lighting environments and anisotropic BRDFs.     

Ethanolysis of rapeseed oil: Quantitation of ethyl esters,mono-, di-, and triglycerides and glycerol by high-performance size-exclusion chromatography

High-performance size-exclusion chromatography (HPSEC) was used to evaluate the influence of different variables affecting the transesterification of rapeseed oil (RSO) with anhydrous ethanol and sodium ethoxide as catalyst. The effect of temperature, ethanol/RSO molar ratio, catalyst concentration, and time can be interpreted by observing the variations of the reaction medium composition. HPSEC has made the quantitation of ethyl esters, mono-, di-, and triglycerides and glycerol possible. The best results for laboratory-scale reactions were obtained at 80°C with a 6:1 molar ratio of EtOH/RSO and 1% of NaOEt by weight of RSO.     

Refractive indices of layers and optical simulations of Cu(In,Ga)Se2 solar cells

Cu(In,Ga)Se₂-based solar cells have reached efficiencies close to 23%. Further knowledge-driven improvements require accurate determination of the material properties. Here, we present refractive indices for all layers in Cu(In,Ga)Se₂ solar cells with high efficiency. The optical bandgap of Cu(In,Ga)Se₂ does not depend on the Cu content in the explored composition range, while the absorption coefficient value is primarily determined by the Cu content. An expression for the absorption spectrum is proposed, with Ga and Cu compositions as parameters. This set of parameters allows accurate device simulations to understand remaining absorption and carrier collection losses and develop strategies to improve performances.     

A network approach to the French system of legal codes—part I: analysis of a dense network

We explore one aspect of the structure of a codified legal system at the national level using a new type of representation to understand the strong or weak dependencies between the various fields of law. In Part I of this study, we analyze the graph associated with the network in which each French legal code is a vertex and an edge is produced between two vertices when a code cites another code at least one time. We show that this network distinguishes from many other real networks from a high density, giving it a particular structure that we call concentrated world and that differentiates a national legal system (as considered with a resolution at the code level) from small-world graphs identified in many social networks. Our analysis then shows that a few communities (groups of highly wired vertices) of codes covering large domains of regulation are structuring the whole system. Indeed we mainly find a central group of influent codes, a group of codes related to social issues and a group of codes dealing with territories and natural resources. The study of this codified legal system is also of interest in the field of the analysis of real networks. In particular we examine the impact of the high density on the structural characteristics of the graph and on the ways communities are searched for. Finally we provide an original visualization of this graph on an hemicyle-like plot, this representation being based on a statistical reduction of dissimilarity measures between vertices. In Part II (a following paper) we show how the consideration of the weights attributed to each edge in the network in proportion to the number of citations between two vertices (codes) allows deepening the analysis of the French legal system.     

A Secure Grid Medical Data Manager Interfaced to the gLite Middleware

The medical community is producing and manipulating a tremendous volume of digital data for which computerized archiving, processing and analysis is needed. Grid infrastructures are promising for dealing with challenges arising in computerized medicine but the manipulation of medical data on such infrastructures faces both the problem of interconnecting medical information systems to Grid middlewares and of preserving patients’ privacy in a wide and distributed multi-user system. These constraints are often limiting the use of Grids for manipulating sensitive medical data. This paper describes our design of a medical data management system taking advantage of the advanced gLite data management services, developed in the context of the EGEE project, to fulfill the stringent needs of the medical community. It ensures medical data protection through strict data access control, anonymization and encryption. The multi-level access control provides the flexibility needed for implementing complex medical use-cases. Data anonymization prevents the exposure of most sensitive data to unauthorized users, and data encryption guarantees data protection even when it is stored at remote sites. Moreover, the developed prototype provides a Grid storage resource manager (SRM) interface to standard medical DICOM servers thereby enabling transparent access to medical data without interfering with medical practice.     

High-aspect ratio metal tips attached to atomic force microscopy cantilevers with controlled angle, length, and radius for electrostatic force microscopy

We demonstrate a method to fabricate a high-aspect ratio metal tip attached to microfabricated cantilevers with controlled angle, length, and radius, for use in electrostatic force microscopy. A metal wire, after gluing it into a guiding slot that is cut into the cantilever, is shaped into a long, thin tip using a focused ion beam. The high-aspect ratio results in considerable reduction of the capacitive force between tip body and sample when compared to a metal coated pyramidal tip.     

Genetic programming for multibiometrics

Biometric systems suffer from some drawbacks: a biometric system can provide in general good performances except with some individuals as its performance depends highly on the quality of the capture… One solution to solve some of these problems is to use multibiometrics where different biometric systems are combined together (multiple captures of the same biometric modality, multiple feature extraction algorithms, multiple biometric modalities…). In this paper, we are interested in score level fusion functions application (i.e., we use a multibiometric authentication scheme which accept or deny the claimant for using an application). In the state of the art, the weighted sum of scores (which is a linear classifier) and the use of an SVM (which is a non linear classifier) provided by different biometric systems provide one of the best performances. We present a new method based on the use of genetic programming giving similar or better performances (depending on the complexity of the database). We derive a score fusion function by assembling some classical primitives functions (+, ∗, −, … ). We have validated the proposed method on three significant biometric benchmark datasets from the state of the art.     

Impact of variable frequency microwave and rapid thermal sintering on microstructure of inkjet-printed silver nanoparticles

The effect of thermal profile on microstructure is studied in the frame of thin films deposited by inkjet-printing technology. The role of sintering temperature and thermal ramp is particularly investigated. Fast heating ramps exhibit coarse grains and pores, especially when a hybrid microwave curing is performed. This enhanced growth is attributed to the quick activation of densifying sintering regimes without undergoing thermal energy loss at low temperature. Microstructural evolution of various sintered inkjet-printed films is correlated with electrical resistivity and with the Young’s modulus determined by nanoindentation. A strong link between those three parameters is highlighted during experiments giving credit to either a surface or a fully volumetric sintering, according to the process. Sintering is then mainly triggered by surface mass transfer or by grain boundary diffusion. Silver thin films with an electrical resistivity 4–5 times higher than the bulk, has been reached in a few minutes with a Young’s modulus of 38?GPa.     

Selective extraction,structural characterisation and antifungal activity assessment of napins from an industrial rapeseed meal

This article reports an extraction–purification of napins from an industrial rapeseed meal and the assessment of their antimicrobial activity against Fusarium langsethiae. The best extraction conditions are observed at pH 2, 12% (w/w) of rapeseed meal after 15 min of extraction in water at room temperature. Under these conditions the extraction is highly selective, allowing a simple purification process (ammonium sulfate precipitation followed by desalting size exclusion chromatography) to get purified napins. These napins possessed significant anti-Fusarium activity (IC₅₀ = 70 μM) and a compact secondary structure rich in α-helix, which may explain this bioactivity.