Rapid NMR Assignments of Proteins by Using Optimized Combinatorial Selective Unlabeling

A new approach for rapid resonance assignments in proteins based on amino acid selective unlabeling is presented. The method involves choosing a set of multiple amino acid types for selective unlabeling and identifying specific tripeptides surrounding the labeled residues from specific 2D NMR spectra in a combinatorial manner. The methodology directly yields sequence specific assignments, without requiring a contiguously stretch of amino acid residues to be linked, and is applicable to deuterated proteins. We show that a 2D N-15,H-1]HSQC spectrum with two 2D spectra can result in approximate to 50% assignments. The methodology was applied to two proteins: an intrinsically disordered protein (12kDa) and the 29kDa (268 residue) -subunit of Escherichia coli tryptophan synthase, which presents a challenging case with spectral overlaps and missing peaks. The method can augment existing approaches and will be useful for applications such as identifying active-site residues involved in ligand binding, phosphorylation, or protein-protein interactions, even prior to complete resonance assignments.

A Numerical Model of Rapid Solidification Processing of Ni-Al Alloy in Planar Flow Casting

A numerical model has been developed for simulating the rapid solidification processing (RSP) of Ni-Al alloy in order to predict the resultant phase composition semi-quantitatively during RSP. The present model couples the initial nucleation temperature evaluating method based on the time dependent nucleation theory, and solidified volume fraction calculation model based on the kinetics model of dendrite growth in undercooled melt. This model has been applied to predict the cooling curve and the volume fraction of solidified phases of Ni-Al alloy in planar flow casting. The numerical results agree with the experimental results semi-quantitatively.

Rapid electrohydrodynamic lithography using low-viscosity polymers.

This study explores a number of low-viscosity glass-forming polymers for their suitability as high-speed materials in electrohydrodynamic (EHD) lithography. The use of low-viscosity polymer films significantly reduces the patterning time (to below 10 s) compared to earlier approaches, without compromising the high fidelity of the replicated structures. The rapid pace of this process requires a method to monitor the completion of EHD pattern formation. To this end, the leakage current across the device is monitored and the sigmoidal shape of the current curve is correlated with the various stages of EHD pattern formation.

Turbulence modeling for flows around convex features giving rapid eddy distortion

Reynolds averaged Navier-Stokes model performances in the stagnation and wake regions for turbulent flows with relatively large Lagrangian length scales (generally larger than the scale of geometrical features) approaching small cylinders (both square and circular) is explored. The effective cylinder (or wire) diameter based Reynolds number, ReW ≤ 2.5 × 103. The following turbulence models are considered: a mixing-length; standard Spalart and Allmaras (SA) and streamline curvature (and rotation) corrected SA (SARC); Secundov's νt-92; Secundov et al.'s two equation νt-L; Wolfshtein's k-l model; the Explicit Algebraic Stress Model (EASM) of Abid et al.; the cubic model of Craft et al.; various linear k-ε models including those with wall distance based damping functions; Menter SST, k-ω and Spalding's LVEL model. The use of differential equation distance functions (Poisson and Hamilton-Jacobi equation based) for palliative turbulence modeling purposes is explored. The performance of SA with these distance functions is also considered in the sharp convex geometry region of an airfoil trailing edge. For the cylinder, with ReW ≈ 2.5 × 103 the mixing length and k-l models give strong turbulence production in the wake region. However, in agreement with eddy viscosity estimates, the LVEL and Secundov νt-92 models show relatively little cylinder influence on turbulence. On the other hand, two equation models (as does the one equation SA) suggest the cylinder gives a strong turbulence deficit in the wake region. Also, for SA, an order or magnitude cylinder diameter decrease from ReW = 2500 to 250 surprisingly strengthens the cylinder's disruptive influence. Importantly, results for ReW ≪ 250 are virtually identical to those for ReW = 250 i.e. no matter how small the cylinder/wire its influence does not, as it should, vanish. Similar tests for the Launder-Sharma k-ε, Menter SST and k-ω show, in accordance with physical reality, the cylinder's influence diminishing albeit slowly with size. Results suggest distance functions palliate the SA model's erroneous trait and improve its predictive performance in wire wake regions. Also, results suggest that, along the stagnation line, such functions improve the SA, mixing length, k-l and LVEL results. For the airfoil, with SA, the larger Poisson distance function increases the wake region turbulence levels by just under 5%. © 2007 Elsevier Inc. All rights reserved.

Undercooling and Rapid Solidification of Nb-Si Eutectic Alloys Studied by Long Drop Tube

Niobium-silicide alloys have great potential for high temperature turbine applications. The two-phase Nb/Nb5Si3 in situ composites exhibit a good balance in mechanical properties. Using the 52 in drop tube, the effect of undercooling and rapid solidification on the solidification process and micro-structural characterization of Nb-Si eutectic alloy was studied. The microstructures of the Nb-Si composites were investigated by optics microscope (OM), X-ray diffraction (XRD) and scanning electron microscope (SEM) equipped with X-ray energy dispersive spectrometry (EDS). Up to 480 K, deep undercooling of the Nb-Si eutectic samples was successfully obtained, which corresponds to 25% of the liquidus temperature. Contrasting to the conventional microstructure usually found in the Nb-Si eutectic alloy, the microstructure of the undercooled sample is divided into the fine and coarse regions. The most commonly observed microstructure is Nb+Nb5Si3, and the Nb3Si phase is not be found. The change of coarseness of microstructure is due to different cooling rates during and after recalescence. The large undercooling is sufficient to completely bypass the high temperature phase field.

Electron Beam Surface Treatment. Part II: Microstructure Evolution of Stainless Steel and Aluminum Alloy During Electron Beam Rapid Solidification

Surface rapid solidification microstructures of AISI 321 austenitic stainless steel and 2024 aluminum alloy have been investigated by electron beam remelting process and optical microscopy observation. It is indicated that the morphologies of the melted layer of both stainless steel and aluminum alloy change dramatically compared to the original materials. Also, the microstructures were greatly refined after the electron beam irradiation.

Computer simulation of influence of sedimentation on rapid coagulation

A computer simulation was performed to explore the features and effects of sedimentation on rapid coagulation. To estimate the accumulated influence of gravity on coagulation for dispersions, a sedimentation influence ratio is defined. Some factors possibly related to the influence of sedimentation were considered in the simulation and analysed by comparing the size distribution of aggregates, the change in collision number, and coagulation rates at different gravity levels (0 g, 1 g and more with g being the gravitational constant).