The second round of Critical Assessment of Automated Structure Determination of Proteins by NMR: CASD-NMR-2013

The second round of the community-wide initiative Critical Assessment of automated Structure Determination of Proteins by NMR (CASD-NMR-2013) comprised ten blind target datasets, consisting of unprocessed spectral data, assigned chemical shift lists and unassigned NOESY peak and RDC lists, that were made available in both curated (i.e. manually refined) or un-curated (i.e. automatically generated) form. Ten structure calculation programs, using fully automated protocols only, generated a total of 164 three-dimensional structures (entries) for the ten targets, sometimes using both curated and un-curated lists to generate multiple entries for a single target. The accuracy of the entries could be established by comparing them to the corresponding manually solved structure of each target, which was not available at the time the data were provided. Across the entire data set, 71 % of all entries submitted achieved an accuracy relative to the reference NMR structure better than 1.5 Å. Methods based on NOESY peak lists achieved even better results with up to 100 % of the entries within the 1.5 Å threshold for some programs. However, some methods did not converge for some targets using un-curated NOESY peak lists. Over 90 % of the entries achieved an accuracy better than the more relaxed threshold of 2.5 Å that was used in the previous CASD-NMR-2010 round. Comparisons between entries generated with un-curated versus curated peaks show only marginal improvements for the latter in those cases where both calculations converged.

Evaluation of technologies of weed control in the sugarcane field

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Evaluation of technologies of weed control in the sugarcane field

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A critical examination of node-similarity based graph matching algorithms

In this paper, we shall critically examine a special class of graph matching algorithms that follow the approach of node-similarity measurement. A high-level algorithm framework, namely node-similarity graph matching framework (NSGM framework), is proposed, from which, many existing graph matching algorithms can be subsumed, including the eigen-decomposition method of Umeyama, the polynomial-transformation method of Almohamad, the hubs and authorities method of Kleinberg, and the kronecker product successive projection methods of Wyk, etc. In addition, improved algorithms can be developed from the NSGM framework with respects to the corresponding results in graph theory. As the observation, it is pointed out that, in general, any algorithm which can be subsumed from NSGM framework fails to work well for graphs with non-trivial auto-isomorphism structure.

A critical analysis of polymer cure modeling for microelectronics applications

A review of polymer cure models used in microelectronics packaging applications reveals no clear consensus of the chemical rate constants for the cure reactions, or even of an effective model. The problem lies in the contrast between the actual cure process, which involves a sequence of distinct chemical reactions, and the models, which typically assume only one, (or two with some restrictions on the independence of their characteristic constants.) The standard techniques to determine the model parameters are based on differential scanning calorimetry (DSC), which cannot distinguish between the reactions, and hence yields results useful only under the same conditions, which completely misses the point of modeling. The obvious solution is for manufacturers to provide the modeling parameters, but failing that, an alternative experimental technique is required to determine individual reaction parameters, e.g. Fourier transform infra-red spectroscopy (FTIR).

A critical evaluation of Enterprise Resource Planning (ERP) software sourcing and provision using theoretical constructs

Deliberating on Enterprise Resource Planning (ERP) software sourcing and provision, this paper contrasts the corporate environment with the small business environment. The paper is about Enterprise Resource Planning client (ERPc) expectations and Enterprise Resource Planning vendor (ERPv) value propositions as a mutually compatible process for achieving acceptable standards of ERP software performance. It is suggested that a less-than-equitable vendor–client relationship would not contribute to the implementation of the optimum solution. Adapting selected theoretical concepts and models, the researchers analyse ERPv to ERPc relationship. This analysis is designed to discover if the provision of the very large ERP vendors who market systems such as SAP, and the provision of the smaller ERP vendors (in this instance Eshbel Technologies Ltd who market an ERP software solution called Priority) when framed as a value proposition (Walters, D. (2002) Operations Strategy. Hampshire, UK: Palgrave), is at all comparable or distinctive.

Passive Control of Plume Interference on Slender Axisymmetric Bodies

The physics of the plume-induced shock and separation, particularly at high plume to exit pressure ratios with and without shock-turbulent boundary-layer control methods, were studied using computational techniques. Mass-averaged Navier-Stokes equations with a two-equation turbulence model were solved by using a fully implicit finite volume scheme and time.marching algorithm. The control methodologies for shock interactions included a porous tail and a porous extension attached at the nozzle exit or trailing edge. The porous tail produced a weaker shock and fixed the shock position on the control surface. The effect of the porous extension on shock interactions was mainly to restrain the plume from strongly underexpanding during a change in flight conditions. These techniques could give an additional dimension to the design and control of supersonic missiles.