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Neutron crystallography was used to directly locate two protons before and after a pH‐induced two‐proton transfer between catalytic aspartic acid residues and the hydroxy group of the bound clinical drug darunavir, located in the catalytic site of enzyme HIV‐1 protease. The two‐proton transfer is triggered by electrostatic effects arising from protonation state changes of surface residues far from the active site. The mechanism and pH effect are supported by quantum mechanics/molecular mechanics (QM/MM) calculations. The low‐pH proton configuration in the catalytic site is deemed critical for the catalytic action of this enzyme and may apply more generally to other aspartic proteases. Neutrons therefore represent a superb probe to obtain structural details for proton transfer reactions in biological systems at a truly atomic level.  相似文献   
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Observational evidence seems to indicate that the expansion of the universe is currently accelerating. Such an acceleration strongly suggests that the content of the universe is dominated by a non-clustered form of matter, the so-called dark energy. The cosmological constant, introduced by Einstein to reconcile General Relativity with a closed and static Universe, is the most likely candidate for dark energy although other options such as a weakly interacting field, also known as quintessence, have been proposed. The fact that the dark energy density is some one hundred and twenty orders of magnitude lower than the energy scales present in the early universe constitutes the cosmological constant problem. We review various aspects of the cosmological constant problem and some interesting scenarios using supersymmetry or extra-dimensions attempting to solve one of the most puzzling issues in physics.  相似文献   
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The compatibilization and impact modification of blends of a relatively new engineering plastic polyamide 4.6 (PA 4.6) and a poly(aryl ether sulfone) (PSU) are investigated. PSU-b-PA6 block copolymers, which can be easily synthesized by ring opening polymerization of ϵ-caprolactam in the presence of a commercial PSU, were found to be very efficient emulsifiers for these incompatible blends. Small amounts (1–4%) of copolymer are sufficient to significantly reduce the particle size and to improve the tensile and impact properties. Combinations of the copolymer and an impact modifier (ethylene-propylene rubber grafted with maleic anhydride) are synergistic and high impact PSU/PA 4.6 alloys are obtained in that way.  相似文献   
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The living low temperature polymerization in polar solvents of most methacrylates, even functional ones, can now be performed by direct and experimentally convenient anionic methods, thanks to the use of α-methylstyrene and of complex-purified monomers. A diversified family of block copolymers has thus been generated, that are used as compatibilizing agents in the designing of interesting heterophase materials: i.e. blends of polymers and inorganic fillers, and liquid-solid dispersions. The living polymerization of acrylates (or of methacrylates under more drastic conditions) raises additional requirements: they have been met to a large extent by the use of specific ligands of the growing ion-pair. Resulting structures such as f.i. block copolymers and end-functionalized oligomers of a low dispersity, should have a great interest in the molecular engineering of (meth)acrylate-based products. Finally, these new initiators lend themselves to structural and mechanistic studies which should shed some light on the critical features of these living propagation processes.  相似文献   
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A new implementation of the program MCGR [Pusztai & McGreevy (1997). Physica B, 234 – 236 , 357–358] for the calculation of pair distribution functions from neutron total scattering data using an inverse Monte Carlo algorithm is presented. The new implementation, called MCGRtof, incorporates the resolution functions for time‐of‐flight neutron diffractometers, and is suitable for analysis of data from instruments such as GEM at the ISIS spallation neutron source. The effect of including resolution correctly is to increase the magnitude of the pair distribution function at larger distances. The working program is illustrated with total scattering measurements from crystalline AlPO4.  相似文献   
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