Materials Literature
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Genetic algorithms are powerful optimizers that have been underutilized in protein crystallography, given that many crystallographic problems have characteristics that would benefit from these algorithms: non-linearity, interdependent parameters and a complex function landscape. These functions have been implemented f…
Maximum-likelihood methods have now been applied to most areas of macromolecular crystallography, including data reduction, molecular replacement, experimental phasing and refinement. However, students of macromolecular crystallography are predominantly taught only traditional crystallographic methods and therefore ha…
Pores for thought: The channels of alumina membranes were used as templates for mesoporous silica. The interface between the precursor of the mesoporous material and the alumina wall plays a major role in the alignment of the mesopores. Novel membrane materials are obtained if hexagonal pores are aligned parallel to t…
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTStructure Formation in Isotactic Poly(methacrylic acid)Edith van den Bosch, Quintin Keil, Genovéva Filipcsei, Hugo Berghmans, and Harry ReynaersView Author Information Polymer Research Devision, Department of Chemistry, Catholic Uni…
The process of refinement is such a large problem in function minimization that even the computers of today cannot perform the calculations to properly fit X-ray diffraction data. Each of the refinement packages currently under development reduces the difficulty of this problem by utilizing a unique combination of tar…
ZnO well-faceted microfibers with periodic junctions were prepared by an evaporation and deposition process. The junctions with spacings of 5−30 μm presented concavo−concave morphologies, and the spacings could be changed with the growth conditions. The anisotropic growth mechanism was investigated by X-ray diffractio…
Open cell polymer derived ceramic foams were prepared by a self-foaming process of a filler loaded poly(silsesquioxane) and subsequent pyrolysis at 1000°C in nitrogen atmosphere. A 1 : 1 mixture by weight of elemental Si and SiC was introduced as particulate filler. Foam samples without and with addition of a small am…
Methods for automated identification and building of protein-bound ligands in electron-density maps are described. An error model of the geometrical features of the molecular structure of a ligand based on a lattice distribution of positional parameters is obtained via simulation and is used for the construction of an…
In this study the replication process was applied to produce porous glass ceramic foams. Polyurethane (PU) sponges were impregnated by immersion in aqueous slurry of a parent glass (mean particle size around 3 μm) from the system Li2O–ZrO2–SiO2–Al2O3 and submitted to heat treatment. From TGA and IR analyses, two main…
This paper reports on the synthesis of a novel poly(ethylene oxide) (PEO) macromonomer, which can be copolymerized with ε-caprolactone (ε-CL) by ring-opening polymerization (ROP). PEO chains end-capped by an ε-caprolactone unit (γPEO·CL) have been synthesized by living anionic ring-opening polymerization of ethylene o…
A closer look at some natural materials from animal and plant sources and the phenomenon driving their use in day to day applications resulted in investigation of their potential in processing of ceramic foams. Ceramic foams were made using aqueous ceramic slurries based on chicken egg white, soap nut fruit extract an…
This paper describes the synthesis and cytotoxicity of poly(anhydride esters) that are composed of several salicylate derivatives, including halogenated salicylates, aminosalicylates, salicylsalicylic acid, and thiolsalicylic acid. The incorporation of these nonsteroidal antiinflammatory drugs (NSAIDs) into a biodegra…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTMechanical Properties of Cross-Linked Hyaluronic Acid/Poly-(l-lysine) Multilayer FilmsDominique Collin, Philippe Lavalle, Juan Méndez Garza, Jean-Claude Voegel, Pierre Schaaf, and Philippe MartinotyView Author Information Laboratoire de Dynamique des Fluides Complexes (CNRS/ULP…
As good as gold: The activation and selective oxygenation of inert CH bonds, as in methane, is a demanding problem. It is now shown that the combination of gold as a catalyst and H2SeO4 as the oxidant results in a 94 % selectivity for CH3OSO3H at 28 % CH4 conversion (see scheme). These results mean that gold now clai…
Tuberculosis made a resurgence in the mid-1980s and now kills approximately 3 million people a year. The re-emergence of tuberculosis as a public health threat, the high susceptibility of HIV-infected persons and the proliferation of multi-drug-resistant strains have created a need to develop new drugs. Shikimate kina…
A model constructed to treat tensile deformation of semicrystalline polymers introduced in a first paper is again applied to measurements on poly(ethylene- co -12% vinyl acetate) and is now used for an extraction of true elastic moduli and a discussion of the creep behavior. Elastic moduli vary in a characteristic man…
Atomic models are commonly used to calculate phases in macromolecular crystallography. When combined with measured amplitudes, model-based phases yield electron-density maps with features of the correct structure but with a significant bias towards features of the model. The present contribution shows applications of…
The most conventional manufacturing route for ceramic foams with open cells consists of coating reticulated polyurethane foams. The resulting material has well defined cell size, but suffers from low mechanical strength owing to the presence of hollow struts. As a result, the performance and utilisation of ceramic foa…
Lanthanides are attractive as biolabels because their long luminescence decay rates allow time-gated detection, which separates background scattering and fluorescence from the lanthanide emission. A stable and highly luminescent terbium complex based on a tetraisophthalamide (TIAM) chelate is paired with a polyaromati…
A short review of the author's computer-graphics developments since 1976 is presented. Some of the major developments in these programs are reviewed and a description is provided of some of the more recent tools that can be used for electron-density map interpretation. These tools include a secondary-structure templat…