ELPA: A parallel solver for the generalized eigenvalue problem

For symmetric (hermitian) (dense or banded) matrices the computation of eigenvalues and eigenvectors Ax = λBx is an important task, e.g. in electronic structure calculations. If a larger number of eigenvectors are needed, often direct solvers are applied. On parallel architectures the ELPA implementation has proven to be very efficient, also compared to other parallel solvers like EigenExa or MAGMA. The main improvement that allows better parallel efficiency in ELPA is the two-step transformation of dense to band to tridiagonal form. This was the achievement of the ELPA project. The continuation of this project has been targeting at additional improvements like allowing monitoring and autotuning of the ELPA code, optimizing the code for different architectures, developing curtailed algorithms for banded A and B, and applying the improved code to solve typical examples in electronic structure calculations. In this paper we will present the outcome of this project

Degradation of haloaromatic compounds

An ever increasing number of halogenated organic compounds has been produced by industry in the last few decades. These compounds are employed as biocides, for synthetic polymers, as solvents, and as synthetic intermediates. Production figures are often incomplete, and total production has frequently to be extrapolated from estimates for individual countries. Compounds of this type as a rule are highly persistent against biodegradation and belong, as "recalcitrant" chemicals, to the class of so-called xenobiotics. This term is used to characterise chemical substances which have no or limited structural analogy to natural compounds for which degradation pathways have evolved over billions of years. Xenobiotics frequently have some common features. e.g. high octanol/water partitioning coefficients and low water solubility which makes for a high accumulation ratio in the biosphere (bioaccumulation potential). Recalcitrant compounds therefore are found accumulated in mammals, especially in fat tissue, animal milk supplies and also in human milk. Highly sophisticated analytical techniques have been developed for the detection of organochlorines at the trace and ultratrace level

Adjusting membrane lipids under salt stress: the case of the moderate halophilic organism Halobacillus halophilus

The lipid composition of Halobacillus halophilus was investigated by combined thin-layer chromatography and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry analyses of the total lipid extract. Main polar lipids were found to be sulfoquinovosyldiacylglycerol and phosphatidylglycerol, while cardiolipin was a minor lipid together with phosphatidic acid, alanyl-phosphatidylglycerol and two not yet fully identified lipid components. In addition the analyses of residual lipids, associated with denatured proteins after the lipid extraction, revealed the presence of significant amounts of cardiolipin, indicating that it is a not readily extractable phospholipid. Post decay source mass spectrometry analyses yielded the determination of acyl chains of main lipid components. On increasing the culture medium salinity, an increase in the shorter chains and the presence of chain unsaturations were observed. These changes in the lipid core structures might compensate for the increase in packing and rigidity of phospholipid and sulfoglycolipid polar heads in high salt medium, therefore contributing to the homeostasis of membrane fluidity and permeability in salt stress condition

Relationen zwischen portal- und peripher-venösen Insulin- und Proinsulinkonzentrationen unter Glukoseinfusion beim Menschen)

In 8 female patients carbohydrate tolerance was proved by means of glucose infusion test 3 days after cholecystectomy. Parameters analyzed in portal and peripheral vein blood are compared with that of 47 healthy persons. All patients demonstrate a pathological carbohydrate tolerance after cholecystectomy, further characterized by an increased lipolysis, a paradoxical rise of HGH, a diminished insulin secretion during the early and increased IRI output in the second phase. There is a significant positive correlation between portal and peripheral vein IRI concentration despite the rising portalperipheral venous IRI difference with raised portal venous IRI concentration. Corresponding differences for proinsulin concentrations can be established in the early phase only. Relations existing between blood glucose and IRI are shown by multiple regression analysis. They suggest that the altitude of IRI concentration is determined by previous blood glucose concentration

Oxidative metabolism drives immortalization of neural stem cells during tumorigenesis

Metabolic reprogramming is a key feature of many cancers, but how and when it contributes to tumorigenesis remains unclear. Here we demonstrate that metabolic reprogramming induced by mitochondrial fusion can be rate-limiting for immortalization of tumor-initiating cells (TICs) and trigger their irreversible dedication to tumorigenesis. Using single-cell transcriptomics, we find that Drosophila brain tumors contain a rapidly dividing stem cell population defined by upregulation of oxidative phosphorylation (OxPhos). We combine targeted metabolomics and in vivo genetic screening to demonstrate that OxPhos is required for tumor cell immortalization but dispensable in neural stem cells (NSCs) giving rise to tumors. Employing an in vivo NADH/NAD(+) sensor, we show that NSCs precisely increase OxPhos during immortalization. Blocking OxPhos or mitochondrial fusion stalls TICs in quiescence and prevents tumorigenesis through impaired NAD(+) regeneration. Our work establishes a unique connection between cellular metabolism and immortalization of tumor-initiating cells

Chemical proteomic profiles of the BCR-ABL inhibitors imatinib, nilotinib, and dasatinib reveal novel kinase and nonkinase targets

The BCR-ABL tyrosine kinase inhibitor imatinib represents the current frontline therapy in chronic myeloid leukemia. Because many patients develop imatinib resistance, 2 second-generation drugs, nilotinib and dasatinib, displaying increased potency against BCR-ABL were developed. To predict potential side effects and novel medical uses, we generated comprehensive drug-protein interaction profiles by chemical proteomics for all 3 drugs. Our studies yielded 4 major findings: (1) The interaction profiles of the 3 drugs displayed strong differences and only a small overlap covering the ABL kinases. (2) Dasatinib bound in excess of 30 Tyr and Ser/Thr kinases, including major regulators of the immune system, suggesting that dasatinib might have a particular impact on immune function. (3) Despite the high specificity of nilotinib, the receptor tyrosine kinase DDR1 was identified and validated as an additional major target. (4) The oxidoreductase NQO2 was bound and inhibited by imatinib and nilotinib at physiologically relevant drug concentrations, representing the first nonkinase target of these drugs

Lithium Phosphosulfide Electrolytes for Solid-State Batteries: Part I

A high performance and stable Li-ion conductive solid electrolyte is one of the key components for the future all-solid-state batteries with metallic lithium anodes. Phosphate, oxide and phosphosulfide-based inorganic solid electrolytes are currently under development. High ambient temperature Li-ion conductivities amounting up to 10−2 S cm−1 for the best performing electrolytes distinguish the phosphosulfides from the other material systems. Part I of the review starts with the motivation and background for the development of Li-phosphosulfide electrolytes followed by an overview of four different types of phosphosulfide electrolytes; the Li–P–S, thio-LiSICon, LGPS and the Argyrodite-type electrolytes. The core of part I is concerned with a detailed discussion of the phosphosulfide electrolyte types that have been under investigation already for a long time, the Li–P–S and the LiSICon. There is a multiplicity of different compositions within each of these types. The idea behind the outline of these sections is to point out the relations and differences between the different materials with respect to their chemistry related to the phase diagrams. Patterns for the relations among the materials identified in the phase diagrams are the base for a discussion of structure, processing and Li-ion conductivity within separate sections for each type and resulting in intra-type comparisons. The follow up part II will continue with a treatment of the more recently developed LGPS and Argyrodite-type electrolytes tracking the same concept, before addressing an inter-type comparison of ambient temperature Li-ion conductivities and the electrochemical stability of the electrolytes vs. metallic lithium. A final section in part II summarizes conclusions and provides perspectives for future research on Li-ion conductive phosphosulfide electrolytes