Length preferences and periodicity in {beta}-strands. Antiparallel edge {beta}-sheets are more likely to finish in non-hydrogen bonded rings

We analysed the length distributions of different types of ß-strandin a high resolution, non-homologous set of 500 protein structures,finding differences in their mean lengths. Antiparallel edgestrands in strand–turn–strand motifs show a preferencefor an even number of residues. This propensity is enhancedif the length is corrected for ß-bulges, which insertan extra residue into the strand. Residues in antiparallel edgeß-strands alternate between being in hydrogen bondedand non-hydrogen bonded rings. Antiparallel edges with an evennumber of residues are more likely to have their final ßresidue in a non-hydrogen bonded ring. This suggests that non-hydrogenbonded rings are intrinsically more stable than hydrogen bondedrings, perhaps because its side chain packing is closer. Therefore,we suggest that a simple way to increase ß-hairpinstability, or the stability of an antiparallel edge strand,is to have a non-hydrogen bonded ring at the end of the strand. Received June 19, 2003; revised October 25, 2003; accepted November 7, 2003     

Open annotations on multimedia Web resources

Many Web portals allow users to associate additional information with existing multimedia resources such as images, audio, and video. However, these portals are usually closed systems and user-generated annotations are almost always kept locked up and remain inaccessible to the Web of Data. We believe that an important step to take is the integration of multimedia annotations and the Linked Data principles. We present the current state of the Open Annotation Model, explain our design rationale, and describe how the model can represent user annotations on multimedia Web resources. Applying this model in Web portals and devices, which support user annotations, should allow clients to easily publish and consume, thus exchange annotations on multimedia Web resources via common Web standards.     

Epsilon Flock: a model migration language

Model-driven engineering introduces additional challenges for controlling and managing software evolution. Today, tools exist for generating model editors and for managing models with transformation, validation, merging and weaving. There is limited support, however, for model migration—a development activity in which instance models are updated in response to metamodel evolution. In this paper, we propose conservative copy—a style of model transformation that we believe is well-suited to model migration—and Epsilon Flock—a compact model-to-model transformation language tailored for model migration. The proposed structures are evaluated by comparing the conciseness of model migration strategies written in different styles of transformation language, using several examples of evolution taken from UML and the graphical modelling framework.     

Structure of resorcinol,phenol, and furan resins by MALDI‐TOF mass spectrometry and 13C NMR

The structure of traditional, linear phenol–resorcinol–formaldehyde (PRF) resins, urea‐branched PRF resins, and phenol–resorcinol–furfural (PRFuran) resins has been investigated in depth by both matrix‐assisted laser desorption/ionization time of flight (MALDI‐TOF) mass spectroscopy and ¹³C NMR. The structure of a variety of oligomers has been obtained, and the structures present in each of the three types of resins related to the very different percentages of resorcinol needed for their equal performance as adhesives. The oligomers type and species distribution appeared very different for each case. PRF resins performance is improved by maximizing either the proportion of resorcinol‐containing oligomers or methylol‐groups containing oligomers, even without any resorcinol, or both. It is equally obtained by the minimization of the relative proportion of the low reactivity Phenol (CH₂ Phenol) species in which resorcinol is not present, this being the most important parameter. This can be obtained by more effective use of the resorcinol by just modifying the resin manufacturing procedure. This parameter instead does not appear to be determinant in PRFuran resins. In these, it is the higher molecular weight of furfural in relation to formaldehyde that engenders for the same manufacturing procedure a correspondingly lower proportion of resorcinol in the resin. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 92: 2665–2674, 2004     

Mechanical and erosion properties of CaCO3‐EMAA thermal sprayed coatings

Polymer‐ceramic composite coatings manufactured from calcium carbonate and ethylene‐methacrylic acid copolymer (EMAA) were prepared via a thermal spray process employing different CaCO₃ filler sizes (average size of 2.8, 9 or 36 μm) and loading levels from about 2.5 to 7 wt%. The optimum filler feeding characteristics, deposition efficiency and deposition rate were obtained with a 36 μm sized CaCO₃. Tensile properties, peel strength, and the erosion resistance of a pure EMAA and CaCO₃‐EMAA composite coatings were investigated. It was found that the tensile strain at fracture of the composite coating decreased with the addition of filler to a greater degree than that observed in compression‐molded polymer composites. This is attributed to an inhomogenous distribution of the filler, with more being concentrated at the boundaries of the deposited polymer particles, thereby establishing a rigid framework within the coating. Only a small filler content is necessary to establish large changes in the mechanical properties of the coating. The peel strength of a composite coating decreases with filler content, both on a mild steel substrate and a previously sprayed polymer coating. Bonding to the latter is significantly higher and offers a possibility as a bonding layer between substrates and composite coatings. The coefficient of friction is lowered with the addition of a filler. Erosion testing has shown that the erosion resistance of PF111 is little improved overall with filler addition, although some increase is found for filler contents less than 5 vol%. Polym. Eng. Sci. 44:1448–1459, 2004. © 2004 Society of Plastics Engineers.     

Context dependence of phenotype prediction and diversity in combinatorial mutagenesis

Two different combinatorial mutagenesis experiments on the light-harvestingII (LH2) protein of Rhodobacter capsulatus indicate that heuristicrules relating sequence directly to phenotype are dependenton which sets or groups of residues are mutated simultaneously.Previously reported combinatorial mutagenesis of this chromogenicprotein (based on both phylogenetic and structural models) showedthat substituting amino acids with large molar volumes at Gly^ß31caused the mutated protein to have a spectrum characteristicof light-harvesting I (LH1). The six residues that underwentcombinatorial mutagenesis were modeled to lie on one side ofa transmembrane -helix that binds bacteriochlorophyll. In asecond experiment described here, we have not used structuralmodels or phylogeny in choosing mutagenesis sites. Instead,a set of six contiguous residues was selected for combinatorialmutagenesis. In this latter experiment, the residue substitutedat Gly^ß31 was not a determining factor in whetherLH2 or LH1 spectra were obtained; therefore, we conclude thatthe heuristic rules for phenotype prediction are context dependent.While phenotype prediction is context dependent, the abilityto identify elements of primary structure causing phenotypediversity appears not to be. This strengthens the argument forperforming combinatorial mutagenesis with an arbitrary groupingof residues if structural models are unavailable.     

Assessment of a redox alkaline/iron-chelate absorption process for the removal of dilute hydrogen sulfide in air emissions

The oxidative absorption of hydrogen sulfide (H₂S) into a solution of ferric chelate of trans-1,2- diaminocyclohexanetetraacetate (CDTA) was studied in a counter-current laboratory column randomly packed with 15 mm plastic Ralu rings. The present investigation takes concern about the Kraft pulping situation where dilute H₂S concentrations are omnipresent in large-volume gas effluents. A fractional two-level factorial approach was instigated to determine the significance of six operating variables, namely the solution's alkalinity (pH; 8.5-10.5), the liquid mass flow rate (L;1.73-), the solution's ionic strength (I_C;0.01-), the gas mass flow rate (G;0.19-), the inlet H₂S concentration (C_H2S,0;70-430 ppm) and the initial ferric CDTA concentration (C_Fe,0;100 -). Initially, a Plackett-Burman design matrix of seven duplicated experiments revealed that pH is the leading factor controlling the H₂S conversion rate while the ionic strength and ferric CDTA concentration effects remained negligible within the factorial domain. Surface response analysis based on 11 duplicated factorial experiments plus 10 central composite trials revealed that the H₂S conversion significantly increases with liquid flow rate but decreases with growing H₂S load up. Further examination about the influence of ferric CDTA on H₂S absorption rate was set up over a broader concentration range (C_Fe,0;0- at pH of 9.5 and 10.5. It showed good potential at as H₂S conversion increased by a significant 25% for both pH values in comparison to pure alkaline solutions containing no ferric CDTA.     

Molecular aspects of the transport and toxicity of ochratoxin a

Ochratoxins are a class of naturally occurring compounds produced by several fungi. The most toxic is ochratoxin A (OTA), and occurrence of some human nephropathies and tumors correlate with enhanced OTA exposure. In this Account, the following areas are examined: molecular details of the binding of OTA to human serum albumin (HSA), the influences of binding to HSA on the trans-port of OTA across epithelial cell membranes by organic anion transport proteins, the oxidative activation of OTA, and the formation of OTA adducts with biological molecules. These studies are beginning to provide a detailed chemical model for the trans-port, accumulation, and genotoxic and carcinogenic effects of OTA.     

Crack–Tip Toughness of a Soft Lead Zirconate Titanate

Crack–opening displacement (COD) measurements were performed on a commercial lead zirconate titanate (PZT). The intrinsic fracture toughness (or crack–tip toughness) of this material was determined using a new evaluation procedure, which takes into account the near–tip CODs and complete crack profile CODs. The crack–tip toughness K _I0 was determined from an extrapolation of COD data obtained at various loading stages, thus avoiding the complications caused by subcritical crack growth in PZT. Results for plane strain and plane stress condition are presented.     

Der Sicherheitsaspekt beim Eintrag von Schüttgütern in Behälter

Safety aspects of charging bulk material into vessels or containers . The safe charging of bulk material requires a careful analysis of the potential sources of danger which can result from the physical properties of the materials and the design and construction material of plant and equipment. The method adopted in this analysis is illustrated and explained for selected examples. Criteria for safe charging methods are compiled and explained. A selection of proven charging equipment is listed and technically evaluated with respect to safety and operating criteria. Steps that must be taken to avoid charging errors are discussed. Special problems encountered on connecting pressureless charging devices to pressure vessels are outlined explained. The utilization of inert gas as a preferred method of explosion protection is discussed. Various methods are compared, and their application to special problems in charging bulk material is illustrated.