Portraying the selectivity of GSK-3 inhibitors towards CDK-2 by 3D similarity and molecular docking

Structural Chemistry - The striking structural resemblance between adenosine triphosphate (ATP) binding sites of glycogen synthase kinase-3 (GSK-3) and cyclin-dependent kinase-2 (CDK-2) raises...     

Mass Transportation on Sub-Riemannian Manifolds

We study the optimal transport problem in sub-Riemannian manifolds where the cost function is given by the square of the sub-Riemannian distance. Under appropriate assumptions, we generalize Brenier–McCann’s theorem proving existence and uniqueness of the optimal transport map. We show the absolute continuity property of Wassertein geodesics, and we address the regularity issue of the optimal map. In particular, we are able to show its approximate differentiability a.e. in the Heisenberg group (and under some weak assumptions on the measures the differentiability a.e.), which allows us to write a weak form of the Monge–Ampère equation.     

Solvent-free synthesis of reactive inorganic precursors for preparation of organic/inorganic hybrid materials

Prehydrolyzed-condensed precursors containing amino or glycido groups were prepared via sol gel process using various alkoxysilanes in the bulk, without addition of solvent in any step of their preparation. The influence of the experimental set-up, the functionality and ratio of alkoxysilanes, and type of catalyst, on the structure buildup was studied. In the case of amino precursors, the sol–gel process was carried out at weak basic conditions while in the case of glycido precursors the sol–gel process was catalyzed by acid or neutral pH. The sol–gel process was monitored by ²⁹Si NMR in solution and the structure of the prehydrolysed-condensed precursors was characterized by small-angle X-Ray scattering. The systems with high content of tetraethoxysilane led to the fast gel formation. In weak acid medium tetraethoxysilane formed larger, more condensed species as well as small structures (based on Q ₁, Q ₂ and Q ₃ species) with silanol groups. Strong acidic conditions led to the fast formation of insoluble silica particles in liquid (sol) phase containing monomeric alkoxysilanes. The most suitable precursor formulations based on the alkoxysilanes with amino groups, as well as the most efficient set-up, were selected and used to prepare hybrid organic/inorganic networks based on an epoxy matrix. These networks were characterized using dynamic mechanical analysis.     

Improvement in semiconductor laser printing using a sacrificial protecting layer for organic thin-film transistors fabrication

Laser-induced forward transfer (LIFT) has been used to deposit pixels of an organic semiconductor, distyryl-quaterthiophenes (DS4T). The dynamics of the process have been investigated by shadowgraphic imaging for the nanosecond (ns) and picosecond (ps) regime on a time-scale from the laser iradiation to 1.5 μs. The morphology of the deposit has been studied for different conditions. Intermediate sacrificial layer of gold or triazene polymer has been used to trap the incident radiation. Its role is to protect the layer to be transferred from direct irradiation and to provide a mechanical impulse strong enough to eject the material.     

Metal Linkage Effects on Ultrafast Energy Transfer

We report the preparation of several new porphyrin homodimers bridged by a platinum(II) ion in which very intense electronic communication through the coordination link occurs. Moreover, the synthesis of a new porphyrin dyad and its photophysical properties are reported. This dyad exhibits the fastest singlet energy transfer ever reported for synthetic systems between a zinc(II) porphyrin and a porphyrin free base. This extremely fast transfer (～100 femtoseconds) is in the same range as the fastest one measured in natural systems. This feature is due to the platinum(II) linker, which allows for strong MO couplings between the two porphyrin units as experimentally supported by electrochemistry and corroborated by DFT computations.     

Structure–property relationships of elementary bamboo fibers

Natural fibers are promising alternatives to synthetic fibers because of their sustainability, low environmental footprint and specific properties desirable for a wide range of technical engineering applications. The industrial implementation of fine grade natural bamboo fibers, including technical (100–200 microns) and elementary fibers (<30 microns) has been of increasing interest in recent times because these fibers offer a unique set of properties including high tensile strength, antibacterial and UV absorption. However to date, very little scientific effort has been devoted to fully understand the inter-correlation between their mechanical, physico-chemical, microstructural and morphological properties. In this paper, we report for the first time the structure–property relationship of elementary bamboo fibers. The impact of the inner microstructural organization of fibers (including the micro-fibrils angle) and physico-chemical factors such as the cellulose content and crystallinity index, on the tensile performance of these fibers is discussed in detail. This work also provides an insight into the application of bamboo fibers as natural and low-cost sorbent material for the removal of Cu²⁺ metal ions from model industrial wastewater. The metal ion adsorption properties of the fibers are correlated to surface energy analysis obtained from inverse gas chromatography.     

Sequential dehydrogenation–arylation of diisopropylamine–borane complex catalyzed by palladium nanoparticles

Palladium nanoparticles have been prepared using different techniques, CO₂-assisted microfluidics coflow or thermolysis using ionic liquids. Both techniques displayed interesting activities in dehydrogenation of diisopropylamine–borane complex, and allowed performing a dehydrogenation–arylation sequence with the creation of a carbon–boron bond.