A simple method to calculate the accessible volume of protein-bound ligands: application for ligand selectivity

We here present a method for estimating the accessible volume surrounding each atom of a ligand when bound to a receptor. The accessible volumes are calculated as the volume of a sphere with fixed radius, centered on each ligand atom, not simultaneously occupied by the volume of the receptor. The method is capable of describing the packing of the ligand in the binding pocket. Moreover, where structural models of several receptors in complex with the same ligand are available, a comparative study discriminating on accessible volumes can be performed. For these cases, a relatively large accessible volume in a particular receptor might indicate that this receptor has a unique cavity that might be exploited to develop a selective ligand analog. The ligand atoms showing variation in surrounding volume accessibility when bound to different receptors constitute attractive anchor points where one might want to attach substituents that modify the selectivity of the ligand. We have applied the described method to two different enzyme-ligand systems that bind tetrahydrobiopterin, i.e. the aromatic amino acid hydroxylases and nitric oxygen synthases. Our results yield new insights into the specificity of cofactor binding to these protein families.     

Trans-situated use of integrated information systems

Practice-based perspectives have established the situated nature of how technology is appropriated, enacted, and improvised in organisations. Empirical studies demonstrate how the same technology produces different results in different contexts of use. However, practice-based research has, to date, less to offer in terms of accounting for the relationship between instances of situated use (i.e., work practices) that are separated in space and/or time. The term trans-situated use is intended to highlight this blind spot. We focus on one type of relationship, viz., significant degrees of similarities between technologically mediated, geographically dispersed work practices. This degree of similarity is achieved through a process of commensurability consisting of (i) standardisation (addressing interdependencies between multiple instances of the ‘same’ work practice at geographically dispersed sites); and (ii) heterogeneity (addressing the entanglement of one work practice with apparently unrelated work practices and modules). Empirically, we report on a longitudinal, interpretative case study (1998–2004) of a company strategically targeting an integrated information system as a principal vehicle to establish similar services globally.     

Electrical characterization of individual metal‐coated polymer spheres used in isotropic conductive adhesives

Isotropic conductive adhesives (ICAs) filled with metal‐coated polymer spheres (MPS) have been proposed to improve the mechanical reliability compared to conventional ICAs filled with silver flakes. The electrical properties of MPS play an important role in the electrical performance of macroscopic MPS‐based ICAs. This article deals with the electrical characterization of individual MPS using a nanoindentation‐based flat punch method, in which the resistance and the deformation of single MPS were monitored simultaneously. Four groups of silver‐coated polymer spheres (AgPS) with identical polymer cores but different silver coating thicknesses were tested. The resistance of AgPS decreases gradually with increasing deformation degree of particles, and increases when the deformation of particles is reduced. In addition, the resistance of individual AgPS is dependent on the physical properties of the silver coating, such as thickness, uniformity, and porosity. The thicker the silver coating is, the lower and more stable the resistance of AgPS is. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 43764.     

Chloridazon-Metaboliten im Grundwasser

Grundwasser - Chloridazon ist ein Herbizidwirkstoff, der in Deutschland seit 1964 für den Einsatz in der Landwirtschaft zugelassen ist. Er wird hauptsächlich beim Anbau von Rüben,...     

Application of molecular identification tools for Lactobacillus, with a focus on discrimination between closely related species: A review

Lactobacillus is among the most important GRAS food lactic acid bacteria, with nearly 140 species at present, mostly of industrial importance. Being part of the natural flora of a range of food products like raw milk, fermented dairy products, fruits, vegetables, meat products they also serve as starters for a number of fermented food products either to enhance the quality or to add health benefits. These groups of economically important species are often alike in phenotypic and physiological characteristics, probably due to their co-evolution in the same ecological niches; hence they are difficult to be differentiated. This demands advanced methods for their proper identification and characterization. With the advancement of molecular biology, a range of DNA-based molecular techniques has replaced the largely cumbersome phenotypic methods. This review summarizes the various molecular techniques available for detection and identification within the genus Lactobacillus, with special emphasis on the four groups of closely resembling species: L. casei group, L. acidophilus group, L. delbrueckii subspecies, and L. plantarum group. This review also provides insights into current trends for alternative molecular markers other than 16S rRNA to resolve the ambiguity within phylogenetically close species in the genus Lactobacillus.     

Zutrittskontrolle mit Gesichtserkennung

Firmen&ProdukteDehn Austria

überspannungs-schutz in der Telekommunikation     

A new approach to inversion-based feedforward control design for nonlinear systems

The finite-time transition between stationary setpoints of nonlinear SISO systems is considered as a scenario for the presentation of a new design approach for inversion-based feedforward control. Design techniques which are based on a stable system inversion result in input trajectories with pre- and/or post-actuation intervals. The presented approach treats the considered transition task as a two-point boundary value problem (BVP) and yields causal feedforward trajectories, which are constant outside the transition interval. The main idea of this approach is to provide free parameters in the desired output trajectory to solve the BVP of the internal dynamics. Thereby, a standard MATLAB function can be used for the numerical solution of the BVP. Feedforward control design techniques are illustrated by simulation results for a simple example.