Engineered dimer interface mutants of triosephosphate isomerase: the role of inter-subunit interactions in enzyme function and stability

The role of inter-subunit interactions in maintaining optimal catalytic activity in triosephosphate isomerase (TIM) has been probed, using the Plasmodium falciparum enzyme as a model. Examination of subunit interface contacts in the crystal structures suggests that residue 75 (Thr, conserved) and residue 13 (Cys, variable) make the largest number of inter-subunit contacts. The mutants Cys13Asp (C13D) and Cys13Glu (C13E) have been constructed and display significant reduction in catalytic activity when compared with wild-type (WT) enzyme (similar to 7.4-fold decrease in k(cat) for the C13D and similar to 3.3-fold for the C13E mutants). Analytical gel filtration demonstrates that the C13D mutant dissociates at concentrations < 1.25 mu M, whereas the WT and the C13E enzymes retain the dimeric structure. The order of stability of the mutants in the presence of chemical denaturants, like urea and guanidium chloride, is WT > Cys13Glu > Cys13Asp. Irreversible thermal precipitation temperatures follow the same order as well. Modeling studies establish that the Cys13Asp mutation is likely to cause a significantly greater structural perturbation than Cys13Glu. Analysis of sequence and structural data for TIMs from diverse sources suggests that residues 13 and 82 form a pair of proximal sites, in which a limited number of residue pairs may be accommodated.

Tunable Brownian vortex at the interface

A general kind of Brownian vortices is demonstrated by applying an external nonconservative force field to a colloidal particle bound by a conservative optical trapping force at a liquid-air interface. As the liquid medium is translated at a constant velocity with the bead trapped at the interface, the drag force near the surface provides enough rotational component to bias the particle's thermal fluctuations in a circulatory motion. The interplay between the thermal fluctuations and the advection of the bead in constituting the vortex motions is studied, and we infer that the angular velocity of the circulatory motion offers a comparative measure of the interface fluctuations.

Sliding wear of Al2O3-SiC-(Al,Si) composites against a steel counterface

The sliding-wear behavior of Al2O3-SiC-Al composites prepared by melt oxidation against a steel counterface has been recorded in a pin-on-disk machine. At high speeds and pressures (10 m/s, 20 MPa), friction and wear appear to be principally controlled by the in-situ formation of an interfacial film that consists of a layer of Fe3O4. The formation of this him is examined as a function of sliding speed, lubrication, and composite microstructure. A model is proposed in which high surface temperatures cause the preferential extrusion of aluminum from the composite onto the pin/disk interface. This promotes the adhesive pickup of iron and its oxidation to form a stable tribologically beneficial layer of Fe3O4.

The role of the interface in foam-bearing glass-epoxy composites subjected to impact loading

foam, either stacked together as three layers (MC) or inserted at three different positions (3L) while arranging the stacking sequence during the fabrication of glass fiber-epoxy composites, form the subject of investigation. This stacking variation resulted in a different interfacial area between these foam materials and the glass-epoxy regions in the laminates. This area in designed to be maximum for the 3L variety. The energy of impact being high enough to cause development of the crack in the samples, how the change in interfacial area affects the traverse of the crack front and the failure feature of the laminated composite are reported in the form of photomacrographs in this work. The results point to significant changes for the impact data, like for instance the peak load attained by the different samples, through thickness crack propagation and tensile fracture features on the non-impacted end for the plain variety, separation about the mid-zone for the MC laminates and two or more layer separations for the 3L variety. The separation for the foam-bearing systems occur invariably at the interface and here again one of the (two identical) interfaces only is chosen for the separation.

Influence of foam/glass-epoxy interface on the macroscopic compressive failure features

The effect on the macroscopic compressive failure features of introduction of two flexible foam layers, either together at mid-region or separately at two locations that are away from the midregion, into a glass-epoxy (G-E) system is studied in this work. In this experimental approach an attempt to look at the possible influence the foam/G-E interface region has on the way the materials respond to compressive loading is made by involving an analyses of macrofractographic features. While foam-free samples fail by extensive ear formation and separation nearer to the mid-region, the foam bearing ones display pronounced interface separation. The positioning of the foam sheet(s) has a bearing on the failure features.

Re-examination of crack opening model of interface fracture

The complex singularity associated with a crack at the interface between two dissimilar, isotropic and homogeneous materials leads to mathematical artefacts, such as stress oscillations and crack face interpenetrations in the vicinity of the crack tip. To avoid these unrealistic features, Sinclair (Sinclair GB. On the stress singularity at an interface crack. International Journal of Fracture 1980;16(2):111-9) assumed a finite crack opening angle (COA) such that the singularity lambda became real equal to 1/2. This paper extends the COA model by considering real singularities not necessarily equal to 1/2. When COA is 0 degrees: the interface crack singularity is complex with a real part equal to 1/2. On increasing COA, the imaginary part of the singularity decreases and becomes zero at a threshold value of COA; at this point, the singularity is a real, repeated value. A further increase in COA results in a pair of real singularities. Different crack opening configurations and material combinations are studied, and results presented for threshold COAs and associated values of singularity. Stress analyses for these three regimes: (a) complex, (b) real pair and (c) real repeated singularities, are reported. It is seen that additional complexities are present in the last case. Typical results for stress fields are also included for comparing with standard fields. (C) 1999 Elsevier Science Ltd. All rights reserved.

The influence of temperature gradient and lowering speed on the melt-solid interface shape of GaxIn1-xSb alloy crystals grown by vertical Bridgman technique

Radially homogeneous bulk alloys of GaxIn1-xSb in the range 0.7 < x < 0.8, have been grown by vertical Bridgman technique. The factors affecting the interface shape during the growth were optimised to achieve zero convexity. From a series of experiments, a critical ratio of the temperature gradient (G) of the furnace at the melting point of the melt composition to the ampoule lowering speed (v) was deduced for attaining the planarity of the melt-solid interface. The studies carried out on directional solidification of Ga0.77In0.23Sb mixed crystals employing planar melt-solid interface exhibited superior quality than those with nonplanar interfaces. The solutions to certain problems encountered during the synthesis and growth of the compound were discussed. (C) 1999 Elsevier Science B.V. All rights reserved.

Influence of interface properties on fracture behaviour of concrete

Hardened concrete is a three-phase composite consisting of cement paste, aggregate and interface between cement paste and aggregate. The interface in concrete plays a key role on the overall performance of concrete. The interface properties such as deformation, strength, fracture energy, stress intensity and its influence on stiffness and ductility of concrete have been investigated. The effect of composition of cement, surface characteristics of aggregate and type of loading have been studied. The load-deflection response is linear showing that the linear elastic fracture mechanics (LEFM) is applicable to characterize interface. The crack deformation increases with large rough aggregate surfaces. The strength of interface increases with the richness of concrete mix. The interface fracture energy increases as the roughness of the aggregate surface increases. The interface energy under mode II loading increases with the orientation of aggregate surface with the direction of loading. The chemical reaction between smooth aggregate surface and the cement paste seems to improve the interface energy. The ductility of concrete decreases as the surface area of the strong interface increases. The fracture toughness (stress intensity factor) of the interface seems to be very low, compared with hardened cement paste, mortar and concrete.

Effect of contact at the interface on the compressive properties of fly ash-epoxy composites

Particulate composites based on polymer matrices generally contain fillers, especially those that are abundantly available and are cheaper. The inclusion of these, besides improving the properties, makes the system costwise viable, In the present study, fly ash was tried as a filler in epoxy. The filler particle surfaces were modified using three chemical surface treatment techniques in order to elicit the effect of adhesion at the interface on the mechanical properties of these composites. The compatibilizing of the filler with the use of a silane coupling agent yielded the best compression strength values. Scanning Electron Microscopy (SEM) has been used to characterize and supplement the mechanical test data.

Influence of the roughness of aggregate surface on the interface bond strength

An experimental investigation on the bond strength of the interface between mortar and aggregate is reported. Composite compact specimens were used for applying Mode I and Mode 11 loading effects. The influence of the type of mortar and type of aggregate and its roughness on the bond strength of the interface has been studied. It has been observed that the bond strength of the interface in tension is significantly low, though the mortars exhibited higher strength. The highest tensile bond strength values have been observed with rough concrete surface with M-13 mortar. The bond strength of the interface in Mode I load depends on the type of aggregate surface and its roughness, and the type of mortar, The bond strength of the interface between mortar M-13 cast against rough concrete in direct tension seems to be about one third of the strength of the mortar. However, it is about 1/20th to 1/10th with the mortar M-12 in sandwiched composite specimens. The bond strength of the interface in shear (Mode IT) significantly increases as the roughness and the phase angle of the aggregate surface increase. The strength of mortar on the interface bond strength has been very significant. The sandwiched composite specimens show relatively low bond strength in Mode I loading. The behavior of the interface in both Mode I and Mode 11 loading effects has been brittle, indicating catastrophic failure. (C) 2002 Elsevier Science Ltd. All rights reserved.

Machine recognition of printed Kannada text

This paper presents the design of a full fledged OCR system for printed Kannada text. The machine recognition of Kannada characters is difficult due to similarity in the shapes of different characters, script complexity and non-uniqueness in the representation of diacritics. The document image is subject to line segmentation, word segmentation and zone detection. From the zonal information, base characters, vowel modifiers and consonant conjucts are separated. Knowledge based approach is employed for recognizing the base characters. Various features are employed for recognising the characters. These include the coefficients of the Discrete Cosine Transform, Discrete Wavelet Transform and Karhunen-Louve Transform. These features are fed to different classifiers. Structural features are used in the subsequent levels to discriminate confused characters. Use of structural features, increases recognition rate from 93% to 98%. Apart from the classical pattern classification technique of nearest neighbour, Artificial Neural Network (ANN) based classifiers like Back Propogation and Radial Basis Function (RBF) Networks have also been studied. The ANN classifiers are trained in supervised mode using the transform features. Highest recognition rate of 99% is obtained with RBF using second level approximation coefficients of Haar wavelets as the features on presegmented base characters.

Machine-tool selection and operation allocation in FMS: solving a fuzzy goal-programming model using a genetic algorithm

The decision-making process for machine-tool selection and operation allocation in a flexible manufacturing system (FMS) usually involves multiple conflicting objectives. Thus, a fuzzy goal-programming model can be effectively applied to this decision problem. The paper addresses application of a fuzzy goal-programming concept to model the problem of machine-tool selection and operation allocation with explicit considerations given to objectives of minimizing the total cost of machining operation, material handling and set-up. The constraints pertaining to the capacity of machines, tool magazine and tool life are included in the model. A genetic algorithm (GA)-based approach is adopted to optimize this fuzzy goal-programming model. An illustrative example is provided and some results of computational experiments are reported.

Modelling, simulation, and graphical user interface for industrial gas carburising process

A mathematical model has been developed for the gas carburising (diffusion) process using finite volume method. The computer simulation has been carried out for an industrial gas carburising process. The model's predictions are in good agreement with industrial experimental data and with data collected from the literature. A study of various mass transfer and diffusion coefficients has been carried out in order to suggest which correlations should be used for the gas carburising process. The model has been interfaced in a Windows environment using a graphical user interface. In this way, the model is extremely user friendly. The sensitivity analysis of various parameters such as initial carbon concentration in the specimen, carbon potential of the atmosphere, temperature of the process, etc. has been carried out using the model.

PDB Goodies - a web-based GUI to manipulate the Protein Data Bank file

PDB Goodies is a web-based graphical user interface (GUI) to manipulate the Protein Data Bank file containing the three-dimensional atomic coordinates of protein structures. The program also allows users to save the manipulated three-dimensional atomic coordinate file on their local client system. These fragments are used in various stages of structure elucidation and analysis. This software is incorporated with all the three-dimensional protein structures available in the Protein Data Bank, which presently holds approximately 18 000 structures. In addition, this program works on a three-dimensional atomic coordinate file (Protein Data Bank format) uploaded from the client machine. The program is written using CGI/PERL scripts and is platform independent. The program PDB Goodies can be accessed over the World Wide Web at http:// 144.16.71.11/pdbgoodies/.

Novel phase-transition behavior near liquid/liquid critical points of aqueous solutions: Formation of a third phase at the interface

We report a novel phase behavior in aqueous solutions of simple organic solutes near their liquid/liquid critical points, where a solid-like third phase appears at the liquid/liquid interface. The phenomenon has been found in three different laboratories. It appears in many aqueous systems of organic solutes and becomes enhanced upon the addition of salt to these solutions.