Reproducible Measurement Results in Organic Solvent Nanofiltration with Ceramic Membranes

Ceramic membranes are still quite innovative to organic solvent nanofiltration. Nevertheless, flux and rejection results obtained in filtration measurements seem to depend largely on the experimental procedure, membrane production batch and setup. Therefore, an experimental approach is described, which proved to provide reproducible and reliable results that may be used as data set to derive parameters in model development.     

Design of a General‐Purpose European Compound Screening Library for EU‐OPENSCREEN

This work describes a collaborative effort to define and apply a protocol for the rational selection of a general‐purpose screening library, to be used by the screening platforms affiliated with the EU‐OPENSCREEN initiative. It is designed as a standard source of compounds for primary screening against novel biological targets, at the request of research partners. Given the general nature of the potential applications of this compound collection, the focus of the selection strategy lies on ensuring chemical stability, absence of reactive compounds, screening‐compliant physicochemical properties, loose compliance to drug‐likeness criteria (as drug design is a major, but not exclusive application), and maximal diversity/coverage of chemical space, aimed at providing hits for a wide spectrum of drugable targets. Finally, practical availability/cost issues cannot be avoided. The main goal of this publication is to inform potential future users of this library about its conception, sources, and characteristics. The outline of the selection procedure, notably of the filtering rules designed by a large committee of European medicinal chemists and chemoinformaticians, may be of general methodological interest for the screening/medicinal chemistry community. The selection task of 200K molecules out of a pre‐filtered set of 1.4M candidates was shared by five independent European research groups, each picking a subset of 40K compounds according to their own in‐house methodology and expertise. An in‐depth analysis of chemical space coverage of the library serves not only to characterize the collection, but also to compare the various chemoinformatics‐driven selection procedures of maximal diversity sets. Compound selections contributed by various participating groups were mapped onto general‐purpose self‐organizing maps (SOMs) built on the basis of marketed drugs and bioactive reference molecules. In this way, the occupancy of chemical space by the EU‐OPENSCREEN library could be directly compared with distributions of known bioactives of various classes. This mapping highlights the relevance of the selection and shows how the consensus reached by merging the five different 40K selections contributes to achieve this relevance. The approach also allows one to readily identify subsets of target‐ or target‐class‐oriented compounds from the EU‐OPENSCREEN library to suit the needs of the diverse range of potential users. The final EU‐OPENSCREEN library, assembled by merging five independent selections of 40K compounds from various expert groups, represents an excellent example of a Europe‐wide collaborative effort toward the common objective of building best‐in‐class European open screening platforms.     

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.     

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%).     

Porous concrete as a template for the synthesis of porous carbon materials

The potential of industrial porous concrete for using as a template for the synthesis of porous carbon materials has been investigated. Carbon replicas of porous concrete have been prepared by carbonization of sucrose. The pores of the resulting carbon materials range from the macropore to the micropore region, pointing to a hierarchy.     

Continuous generating grinding—Tooth root machining and use of CBN-tools

Profile accuracy, no burning and residual compressive stresses at the tooth root fillet are required for the durability of highly stressed gears. This paper reveals the challenges for continuous generating grinding with corundum and CBN. For this purpose, material removal simulations and experimental investigations were carried out to gain knowledge of the tool–workpiece contact conditions. The potential of CBN tools was analysed due to the fact that the mechanical loads at the grinding worm tip result in high profile wear of the corundum tools. In this context, especially the interrelationship between the dressing strategy and the workpiece quality was investigated in detail.     

A framework for digital sunken relief generation based on 3D geometric models

Sunken relief is a special art form of sculpture whereby the depicted shapes are sunk into a given surface. This is traditionally created by laboriously carving materials such as stone. Sunken reliefs often utilize the engraved lines or strokes to strengthen the impressions of a 3D presence and to highlight the features which otherwise are unrevealed. In other types of relief, smooth surfaces and their shadows convey such information in a coherent manner. Existing methods for relief generation are focused on forming a smooth surface with a shallow depth which provides the presence of 3D figures. Such methods unfortunately do not help the art form of sunken reliefs as they omit the presence of feature lines. We propose a framework to produce sunken reliefs from a known 3D geometry, which transforms the 3D objects into three layers of input to incorporate the contour lines seamlessly with the smooth surfaces. The three input layers take the advantages of the geometric information and the visual cues to assist the relief generation. We have modified the existing techniques of line drawings and relief generation, and then combine them organically for this particular purpose.