Numerical aspects of a Godunov-type stabilization scheme for the Boltzmann transport equation

Journal of Computational Electronics - We discuss the numerical aspects of the Boltzmann transport equation (BE) for electrons in semiconductor devices, which is stabilized by Godunov’s...     

Chemoenzymatic Total Synthesis of Sorbicatechol Structural Analogues and Evaluation of Their Antiviral Potential

Sorbicillinoids are fungal polyketides characterized by highly complex and diverse molecular structures, with considerable stereochemical intricacy combined with a high degree of oxygenation. Many sorbicillinoids possess promising biological activities. An interesting member of this natural product family is sorbicatechol A, which is reported to have antiviral activity, particularly against influenza A virus (H1N1). Through a straightforward, one-pot chemoenzymatic approach with recently developed oxidoreductase SorbC, the characteristic bicyclo[2.2.2]octane core of sorbicatechol is structurally diversified by variation of its natural 2-methoxyphenol substituent. This facilitates the preparation of a focused library of structural analogues bearing substituted aromatic systems, alkanes, heterocycles, and ethers. Fast access to this structural diversity provides an opportunity to explore the antiviral potential of the sorbicatechol family.     

Process rates of nitrogen cycle in uppermost topsoil after harvesting in no-tilled and ploughed agricultural clay soil

No-till is considered an agricultural practice beneficial for the environment as soil erosion is decreased compared to ploughed soils. For on overall evaluation of the benefits and disadvantages of this crop production method, understanding the soil nutrient cycle is also of importance. The study was designed to obtain information about gross soil nitrogen (N) process rates in boreal no-tilled and mouldboard ploughed spring barley (Hordeum vulgare L.) fields after autumn harvesting. In situ soil gross N transformation process rates were quantified for the 5 cm topsoil in 9 days’ incubation experiment using ¹⁵N pool dilution and tracing techniques and a numerical ¹⁵N tracing model. Gross N mineralization into ammonium (NH₄ ⁺) and NH₄ ⁺ immobilization were the most important N transformation processes in the soils. The gross mineralization rate was 14% and NH₄ ⁺ immobilization rate 64% higher in no-till than in ploughing. Regardless of the faster mineralization, the gross rate of NH₄ ⁺ oxidation into nitrate (NO₃ ^?) in no-till was one order of magnitude lower compared the ploughing. The results indicate that the no-tilled soils have the potential to decrease the risk for NO₃ ^? leaching due to slower NH₄ ⁺ oxidation.     

The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH‐like 2‐Heptyl‐3‐hydroxy‐4(1H)‐quinolone (PQS) Biosynthesis Enzyme PqsBC

Pseudomonas aeruginosa is a bacterial pathogen that causes life‐threatening infections in immunocompromised patients. It produces a large armory of saturated and mono‐unsaturated 2‐alkyl‐4(1H)‐quinolones (AQs) and AQ N‐oxides (AQNOs) that serve as signaling molecules to control the production of virulence factors and that are involved in membrane vesicle formation and iron chelation; furthermore, they also have, for example, antibiotic properties. It has been shown that the β‐ketoacyl‐acyl‐carrier protein synthase III (FabH)‐like heterodimeric enzyme PqsBC catalyzes the last step in the biosynthesis of the most abundant AQ congener, 2‐heptyl‐4(1H)‐quinolone (HHQ), by condensing octanoyl‐coenzyme A (CoA) with 2‐aminobenzoylacetate (2‐ABA), but the basis for the large number of other AQs/AQNOs produced by P. aeruginosa is not known. Here, we demonstrate that PqsBC uses different medium‐chain acyl‐CoAs to produce various saturated AQs/AQNOs and that it also biosynthesizes mono‐unsaturated congeners. Further, we determined the structures of PqsBC in four different crystal forms at 1.5 to 2.7 Å resolution. Together with a previous report, the data reveal that PqsBC adopts open, intermediate, and closed conformations that alter the shape of the acyl‐binding cavity and explain the promiscuity of PqsBC. The different conformations also allow us to propose a model for structural transitions that accompany the catalytic cycle of PqsBC that might have broader implications for other FabH‐enzymes, for which such structural transitions have been postulated but have never been observed.     

Hybridization Networks of mRNA and Branched RNA Hybrids

Messenger RNA (mRNA) is emerging as an attractive biopolymer for therapy and vaccination. To become suitable for vaccination, mRNA is usually converted to a biomaterial, using cationic peptides, polymers or lipids. An alternative form of converting mRNA into a material is demonstrated that uses branched oligoribonucleotide hybrids with the ability to hybridize with one or more regions of the mRNA sequence. Two such hybrids with hexamer arms and adamantane tetraol as branching element were prepared by solution-phase synthesis. When a rabies mRNA was treated with the branched hybrids at 1 M NaCl concentration, biomaterials formed that contained both of the nucleic acids. These results show that branched oligoribonucleotides are an alternative to the often toxic reagents commonly used to formulate mRNA for medical applications.     

The Human Host Defense Ribonucleases 1, 3 and 7 Are Elevated in Patients with Sepsis after Major Surgery—A Pilot Study

Sepsis is the most common cause of death in intensive care units and associated with widespread activation of host innate immunity responses. Ribonucleases (RNases) are important components of the innate immune system, however the role of RNases in sepsis has not been investigated. We evaluated serum levels of RNase 1, 3 and 7 in 20 surgical sepsis patients (Sepsis), nine surgical patients (Surgery) and 10 healthy controls (Healthy). RNase 1 and 3 were elevated in Sepsis compared to Surgery (2.2- and 3.1-fold, respectively; both p < 0.0001) or compared to Healthy (3.0- and 15.5-fold, respectively; both p < 0.0001). RNase 1 showed a high predictive value for the development of more than two organ failures (AUC 0.82, p = 0.01). Patients with renal dysfunction revealed higher RNase 1 levels than without renal dysfunction (p = 0.03). RNase 1 and 3 were higher in respiratory failure than without respiratory failure (p < 0.0001 and p = 0.02, respectively). RNase 7 was not detected in Healthy patients and only in two patients of Surgery, however RNase 7 was detected in 10 of 20 Sepsis patients. RNase 7 was higher in renal or metabolic failure than without failure (p = 0.04 and p = 0.02, respectively). In conclusion, RNase 1, 3 and 7 are secreted into serum under conditions with tissue injury, such as major surgery or sepsis. Thus, RNases might serve as laboratory parameters to diagnose and monitor organ failure in sepsis.     

Processing behavior and mechanical properties of autopolymerizing hypoallergenic denture base polymers

Driven by the phenomenon of increasing irritations and allergic reactions of dental prosthesis carriers preferably due to residual methyl methacrylate monomer in conventional dental materials, autopolymerizing hypoallergenic denture base polymers were prepared as two‐component materials in the shape of paste/paste‐ or powder/liquid systems. The processing behavior of these materials was investigated regarding the processing and solidification times also in dependence on the polymerization catalyst concentration, whereas the whole processing and curing characteristics and the final polymer properties were evaluated by dynamic mechanical analysis in shear mode in the temperature range from ?145°C to 200°C. The mechanical properties of the hypoallergenic denture base polymers were validated regarding stiffness (flexural modulus E') and fracture toughness (maximum factor of loading intensity , total work of fracture ) and the effects of monomer composition, kind of resin powder, impact modification by the liquid component, and water immersion on these properties were investigated. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41378.     

Two‐Step Protein Labeling by Using Lipoic Acid Ligase with Norbornene Substrates and Subsequent Inverse‐Electron Demand Diels–Alder Reaction

Inverse‐electron‐demand Diels–Alder cycloaddition (DA_inv) between strained alkenes and tetrazines is a highly bio‐orthogonal reaction that has been applied in the specific labeling of biomolecules. In this work we present a two‐step labeling protocol for the site‐specific labeling of proteins based on attachment of a highly stable norbornene derivative to a specific peptide sequence by using a mutant of the enzyme lipoic acid ligase A (LplA^W37V), followed by the covalent attachment of tetrazine‐modified fluorophores to the norbornene moiety through the bio‐orthogonal DA_inv . We investigated 15 different norbornene derivatives for their selective enzymatic attachment to a 13‐residue lipoic acid acceptor peptide (LAP) by using a standardized HPLC protocol. Finally, we used this two‐step labeling strategy to label proteins in cell lysates in a site‐specific manner and performed cell‐surface labeling on living cells.     

电力变压器的套管、有载调压开关以及绝缘系统的在线监测和诊断

公用电力系统需要降低与其设备安装相关的运行和维护成本.降低成本的主要方法就是使用设备在线监测,并且要将基于时间的对变压器维护转变成基于工况的维护.由于监测系统的不断发展,维护和运行人员可以将其工作集中在其他更具有附加值的任务上.除此之外,由于电力市场管制的不断放开,公用电力系统将继续面临更加严峻的挑战.增加设备的负荷,降低维护费用以及延缓投资都是降低使用寿命成本的目的.这些措施同样也可能会造成较高的故障率,同时还会增加发生主要故障的风险.所以,本文的意图就是要在保证一定质量的电能供应同时尽量降低设备维护的成本费用(寿命管理).