Robust manufacturing inspection and classification with machine vision

This paper presents and compares methods for inspecting products using machine vision systems. This research compares the Mahalanobis Taguchi System (MTS) with a method based on principal component transformation and multi-modal overlap methods, and which is called the Principal component Feature overlap Measure (PFM). In an example application, the PFM achieves significantly higher Signal/Noise-ratios (+80 dB) and equal or better classification performance than MTS with a lower number of classification features (-75%).     

Port reduction in parametrized component static condensation: approximation and a posteriori error estimation

We introduce a port (interface) approximation and a posteriori error bound framework for a general component‐based static condensation method in the context of parameter‐dependent linear elliptic partial differential equations. The key ingredients are as follows: (i) efficient empirical port approximation spaces—the dimensions of these spaces may be chosen small to reduce the computational cost associated with formation and solution of the static condensation system; and (ii) a computationally tractable a posteriori error bound realized through a non‐conforming approximation and associated conditioner—the error in the global system approximation, or in a scalar output quantity, may be bounded relatively sharply with respect to the underlying finite element discretization. Our approximation and a posteriori error bound framework is of particular computational relevance for the static condensation reduced basis element (SCRBE) method. We provide several numerical examples within the SCRBE context, which serve to demonstrate the convergence rate of our port approximation procedure as well as the efficacy of our port reduction error bounds. Copyright © 2013 John Wiley & Sons, Ltd.     

Raman spectroscopy and X-ray diffraction studies of stress effects in PbTiO3 thin films

A systematic study of domain structure and residual stress evolution with film thickness and of phase transition in c/a epitaxial PbTiO(3)/LaAlO(3) films using X-ray diffraction and Raman spectroscopy is reported. Both techniques revealed that the films are under tensile residual stress in the film plane and that a-domains are more stressed than c-domains. The two components of the large A(1)(TO) Ramanmodes are associated with a- and c-domains and their intensity ratio correlates to the volume fraction of a-domains. The evolution of the Raman signature with temperature revealed that the spectrum of a-domains disappears around 480 degrees C, whereas c-domains present an anomaly in their spectrum at 500 degrees C but maintain a well-defined Raman signature up to 600 degrees C.     

Protein subcomplexes--molecular machines with highly specialized functions

Complex cellular processes are accomplished by the concerted action of hierarchically organized functional modules. Protein complexes are major components which act as highly specialized molecular machines. Here we present a statistical procedure to find insightful substructures in protein complexes based on large-scale protein complex data: we identify statistically significant common protein subcomplexes (SCs) contained in different protein complexes. We analyze recently published data of the two model organisms Saccharomyces cerevisiae (four different data sets) and Escherichia coli, as well as human protein complex data. Our method identifies well-characterized protein assemblies with known functions which act as own functional entities in the cell. In addition, we also identified hitherto unknown functional entities that should be studied experimentally in future. We discuss two typical properties of protein subcomplexes: 1) subcomplexes are enriched with essential proteins (which implies that the whole SCs may be strongly conserved) and 2) SCs are functionally and spatially more homogeneous than the experimentally found protein assemblies. The latter property is exploited to propose functions for so far unknown proteins of S. cerevisiae     

Analysis of noncovalent chitinase-chito-oligosaccharide complexes by infrared-matrix assisted laser desorption ionization and nanoelectrospray ionization mass spectrometry

Transferring noncovalently bound complexes from the condensed phase into the gas phase represents a challenging task due to weak intermolecular bonds that have to be maintained during the phase transition. Currently, electrospray ionization (ESI) is the standard mass spectrometric (MS) technique to analyze noncovalent complexes. Although infrared matrix-assisted laser desorption ionization (IR-MALDI)-MS also provides particular soft desorption/ionization conditions, this method has so far hardly been applied for the analysis of noncovalent complexes. In this study, we employed IR-MALDI orthogonal time-of-flight (o-TOF)-MS in combination with the liquid matrix glycerol to characterize the specific complex formation of chito-oligosaccharide (CHOS) ligands with two variants of Chitinase A (ChiA) from Serratia marcescens, the inactive E315Q mutant and the active W167A mutant, respectively. The IR-MALDI-o-TOF-MS results were compared to those obtained using nano-ESI-quadrupole (q)-TOF-MS and ultraviolet (UV)-MALDI-o-TOF-MS. Using IR-MALDI-o-TOF-MS, specific noncovalent complexes between ChiA and CHOS were detected with distributions between enzymes with bound oligosaccharides vs free enzymes that were essentially identical to those obtained by nano-ESI-q-TOF-MS. Chitinase-CHOS complexes were not detected when UV-MALDI was employed for desorption/ionization. The results show that IR-MALDI-MS can be a valuable tool for fast and simple screening of noncovalent enzyme-ligand interactions.     

Compound-specific chlorine isotope analysis: a comparison of gas chromatography/isotope ratio mass spectrometry and gas chromatography/quadrupole mass spectrometry methods in an interlaboratory study

Chlorine isotope analysis of chlorinated hydrocarbons like trichloroethylene (TCE) is of emerging demand because these species are important environmental pollutants. Continuous flow analysis of noncombusted TCE molecules, either by gas chromatography/isotope ratio mass spectrometry (GC/IRMS) or by GC/quadrupole mass spectrometry (GC/qMS), was recently brought forward as innovative analytical solution. Despite early implementations, a benchmark for routine applications has been missing. This study systematically compared the performance of GC/qMS versus GC/IRMS in six laboratories involving eight different instruments (GC/IRMS, Isoprime and Thermo MAT-253; GC/qMS, Agilent 5973N, two Agilent 5975C, two Thermo DSQII, and one Thermo DSQI). Calibrations of (37)Cl/(35)Cl instrument data against the international SMOC scale (Standard Mean Ocean Chloride) deviated between instruments and over time. Therefore, at least two calibration standards are required to obtain true differences between samples. Amount dependency of δ(37)Cl was pronounced for some instruments, but could be eliminated by corrections, or by adjusting amplitudes of standards and samples. Precision decreased in the order GC/IRMS (1σ ≈ 0.1‰), to GC/qMS (1σ ≈ 0.2-0.5‰ for Agilent GC/qMS and 1σ ≈ 0.2-0.9‰ for Thermo GC/qMS). Nonetheless, δ(37)Cl values between laboratories showed good agreement when the same external standards were used. These results lend confidence to the methods and may serve as a benchmark for future applications.     

Towards a medically approved technology for alginate-based microcapsules allowing long-term immunoisolated transplantation

The concept of encapsulated-cell therapy is very appealing, but in practice a great deal of technology and know-how is needed for the production of long-term functional transplants. Alginate is one of the most promising biomaterials for immunoisolation of allogeneic and xenogeneic cells and tissues (such as Langerhans islets). Although great advances in alginate-based cell encapsulation have been reported, several improvements need to be made before routine clinical applications can be considered. Among these is the production of purified alginates with consistently high transplantation-grade quality. This depends to a great extent on the purity of the input algal source as well as on the development of alginate extraction and purification processes that can be validated. A key engineering challenge in designing immunoisolating alginate-based microcapsules is that of maintaining unimpeded exchange of nutrients, oxygen and therapeutic factors (released by the encapsulated cells), while simultaneously avoiding swelling and subsequent rupture of the microcapsules. This requires the development of efficient, validated and well-documented technology for cross-linking alginates with divalent cations. Clinical applications also require validated technology for long-term cryopreservation of encapsulated cells to maintaining a product inventory in order to meet end-user demands. As shown here these demands could be met by the development of novel, validated technologies for production of transplantation-grade alginate and microcapsule engineering and storage. The advances in alginate-based therapy are demonstrated by transplantation of encapsulated rat and human islet grafts that functioned properly for about 1 year in diabetic mice.     

Investigation of 3D crack propagation problems via fast BEM formulations

Abstact The simulation of 3D fatigue crack growth is investigated and in combination with suitable experiments it is aimed to identify a reliable crack growth criterion. To perform the crack growth simulation as effectively as possible the boundary element method (BEM) in terms of the 3D Dual BEM is utilized. The relevant boundary integral equations are evaluated in the framework of a collocation procedure. To compress the system matrix and to speed-up the solution procedure the adaptive cross approximation (ACA) method is applied. It is an algebraic technique acting purely on the system matrix itself. The efficiency of this procedure with respect to crack problems will be shown on both a standard fracture specimen and an industrial application.     

Engineering metal-impurity nanodefects for low-cost solar cells

As the demand for high-quality solar-cell feedstock exceeds supply and drives prices upwards, cheaper but dirtier alternative feedstock materials are being developed. Successful use of these alternative feedstocks requires that one rigorously control the deleterious effects of the more abundant metallic impurities. In this study, we demonstrate how metal nanodefect engineering can be used to reduce the electrical activity of metallic impurities, resulting in dramatic enhancements of performance even in heavily contaminated solar-cell material. Highly sensitive synchrotron-based measurements directly confirm that the spatial and size distributions of metal nanodefects regulate the minority-carrier diffusion length, a key parameter for determining the actual performance of solar-cell devices. By engineering the distributions of metal-impurity nanodefects in a controlled fashion, the minority-carrier diffusion length can be increased by up to a factor of four, indicating that the use of lower-quality feedstocks with proper controls may be a viable alternative to producing cost-effective solar cells.     

Separation of plutonium and neptunium species by capillary electrophoresis-inductively coupled plasma-mass spectrometry and application to natural groundwater samples

Capillary electrophoresis (CE) was coupled to ICPMS in order to combine the good performance of this separation technique with the high sensitivity of the ICPMS for the analysis of plutonium and neptunium oxidation states. The combination of a fused-silica capillary with a MicroMist AR 30-I-FM02 nebulizer and a Cinnabar small-volume cyclonic spray chamber yielded the best separation results. With this setup, it was possible to separate a model element mixture containing neptunium (NpO2(+)), uranium (UO2(2+)), lanthanum (La3+), and thorium (Th4+) in 1 M acetic acid. The same conditions were also suitable for the separation of various oxidation states of plutonium and neptunium in different aqueous samples. All separations were obtained within less than 15 min. A detection limit of 50 ppb identical with 2 x 10(-7) M (3-fold standard deviation of a blank) was achieved. To prove the negligible disturbance of the plutonium and neptunium redox equilibria during the CE separations, plutonium and neptunium speciation by CE-ICPMS in acidic solutions was compared with the results of UV/visible absorption spectroscopy and was found to be in good agreement. The CE-ICPMS system was also applied to study the reduction of Pu(VI) in a humic acid-containing groundwater at different pH values.