Regional brain electrical activity in posttraumatic stress disorder after motor vehicle accident.

This study examined whether patients with posttraumatic stress disorder (PTSD) related to motor vehicle accidents (MVAs) would show an abnormal pattern of electroencephalographic (EEG) alpha asymmetries, which has been proposed for particular types of anxiety. Patients with PTSD (n = 22) or subsyndromal PTSD (n = 21), traumatized controls without PTSD (non-PTSD with MVA; n = 21), and healthy controls without MVA (n = 23) underwent measurement of EEG activity during baseline and exposure to a neutral, a positive, a negative, and an accident-related picture. Differences in brain asymmetry between groups were observed only during exposure to trauma-related material. PTSD and subsyndromal PTSD patients showed a pattern of enhanced right anterior and posterior activation, whereas non-PTSD with MVA participants showed the opposite pattern. Furthermore, posterior asymmetry in nontraumatized healthy controls varied with gender, with female participants showing a pattern of higher right posterior activation. The results support the hypothesis that symptomatic MVA survivors are characterized by a pattern of right hemisphere activation that is associated with anxious arousal and symptoms of PTSD during processing of trauma-specific information. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Accurate environmental bioindication in floodplains in spite of an extreme flood event

The ecological reaction of species on environmental factors can differ both, temporally and geographically. Therefore, bioindicator systems must be shown to remain accurate at different places and points of time. Extreme events pose challenges for testing this robustness, which has not yet been explored systematically. The unique opportunity of the extreme flooding of the river Elbe in August 2002 was used for such a test. The bioindicator system for mean groundwater depth during the vegetation period and annual duration of inundation in floodplains studied here was developed with data collected in 1999. Data from 2003 were used to analyse the dependence of the bioindication results on the humidity of the study plots and taxonomic group (plants, molluscs and carabid beetles). For the duration of inundation, the accuracy of bioindication in 2003 was similar to that in 1999, except for the medium‐humid and dry plots using molluscs as indicators. For groundwater depth, the accuracy of bioindication in 2003 was similar to that of the reference year except in the dry plots with significantly lower accuracy for all species groups. With a few exceptions, the bioindicator system is shown to be robust and to remain accurate in spite of an extreme flood event. In conclusion, the relevance of extreme events for the robustness of bioindicator systems differs between the indicated parameters and taxonomic groups. The results stress the need to take into account the limits of the working range and the occurrence of extreme events, when testing and applying bioindicator systems. Copyright © 2009 John Wiley & Sons, Ltd.     

Improved Second Generation Iron Pincer Complexes for Effective Ester Hydrogenation

Hydrogenation of esters to alcohols with a well‐defined iron ^iPr2PNP pincer complex has been recently reported by us and other groups. We now introduce a novel and sterically less hindered ^Et2PNP congener that provides superior catalytic activity in the hydrogenation of various carboxylic acid esters and lactones compared to the known complex. Successful hydrogenation proceeds under relatively mild conditions (60 °C) with lower catalyst loadings.

     

Structure–Activity Relationships of 2‐Sufonylpyrimidines as Quorum‐Sensing Inhibitors to Tackle Biofilm Formation and eDNA Release of Pseudomonas aeruginosa

Drug‐resistant Pseudomonas aeruginosa (PA) strains are on the rise, making treatment with current antibiotics ineffective. Hence, circumventing resistance or restoring the activity of antibiotics by novel approaches is of high demand. Targeting the Pseudomonas quinolone signal quorum sensing (PQS‐QS) system is an intriguing strategy to abolish PA pathogenicity without affecting the viability of the pathogen. Herein we report the structure–activity relationships of 2‐sulfonylpyrimidines, which were previously identified as dual‐target inhibitors of the PQS receptor PqsR and the PQS synthase PqsD. The SAR elucidation was guided by a combined approach using ligand efficiency and ligand lipophilicity efficiency to select the most promising compounds. In addition, the most effective inhibitors were rationally modified by the guidance of QSAR using Hansch analyses. Finally, these inhibitors showed the capacity to decrease biofilm mass and extracellular DNA, which are important determinants for antibiotic resistance.     

Palladium‐Catalyzed Carbonylative Synthesis of 2,3‐Disubstituted Chromones

An unexpected palladium‐catalyzed carbonylative synthesis of 2,3‐disubstituted chromones has been developed. Starting from 2‐bromofluorobenzenes and ketones, the corresponding chromones were produced in good yields. By control experiments, this transformation was found to proceed through a sequential carbonylation/Claisen–Hasse rearrangement/intramolecular nucleophilic aromatic substitution approach (S_NAr). More specifically, the reaction sequence started with a palladium‐catalyzed carbonylation of the ketone with o‐bromofluorobenzene to give the vinyl benzoates, which subsequently transformed into 1,3‐diketones via a Claisen–Hasse rearrangement. The final products were produced after an intramolecular S_NAr reaction of the in situ formed 1,3‐diketone.

     

Metacomputing in practice: a distributed compute server for pharmaceutical industry

We describe a distributed high-performance compute server that has been implemented for running compute-intensive applications on a mixture of HPC systems interconnected by Inter-and Intranet. With a practical industrial background, our work focusses on high availability, efficient job load balancing, security, and the easy integration of HPC computing into the daily work-flow at pharmaceutical companies.

The work was done in the course of the ESPRIT project P A Distributed Pharmaceutical Application Server The client software is implemented in Java. All results are displayed in a web browser and can be forwarded to the next stage of applications used in the drug design cycle. The server software handles the job load balancing between the participating HPC nodes and is capable of managing multi-site applications.

Our environment currently supports four key applications that are used in rational drug design and drug target identification. They range from the automatic functional annotation of protein sequences to three-dimensional protein structure prediction tools and protein comparison applications.     

Note on the interpretation of electroluminescence images using their spectral information

We show how to use the reciprocity between electroluminescence and solar cell quantum efficiency for the simulation and interpretation of electroluminescence images. The analysis of the spectral properties of the electroluminescence images obtained by using different short- and long-pass filters yields information about surface recombination velocity, bulk diffusion length and reflection of the back side in flat and textured solar cells.