Assessment of German nitrous oxide emissions using empirical modelling approaches

Direct nitrous oxide (N₂O) emissions from agricultural soils contribute considerably to anthropogenic GHG emissions. Albeit a key source of emissions in many countries, direct N₂O emissions are still calculated and reported to the United Nations Convention on Climate Change using default emission factors defined in the IPCC guidelines (IPCC 1996, 2006). It is known that processes controlling production and transport of N₂O are highly sensitive to environmental conditions defined by weather, soil and management. The accuracy of N₂O emission budgets and the efficiency of mitigation can be improved if those dependencies are considered with regionalized emission factors. In this study an empirical method originating from soft computing techniques based on measured data is developed and applied to quantify direct N₂O emissions from agricultural soils at field and national level in Germany between 1990 and 2005. The method is used to derive maps of emission factor distribution of direct N₂O emissions of agricultural land in Germany. Model results are compared with alternative empirical approaches from literature. Results from developing empirical models show that grassland and cropland have to be differentiated according to the key controls driving N₂O emissions. N₂O emissions of German croplands are highly influenced by climatic conditions and soil properties. The variability of N₂O fluxes on grasslands is mainly driven by the fertilizer N applied. The model comparison using measured European N₂O emissions exhibits profound discrepancies between the models used on a regional scale. The nationwide budgets derived span a narrow range of −8 to 28% relative to direct N₂O emissions quantified by the German national inventory report. The emission factor of German agriculture estimated by the developed model is 0.91% of fertilizer N applied.     

Design,Synthesis, and in vitro Evaluation of P2X7 Antagonists

The P2X7 receptor is a promising target for the treatment of various diseases due to its significant role in inflammation and immune cell signaling. This work describes the design, synthesis, and in vitro evaluation of a series of novel derivatives bearing diverse scaffolds as potent P2X7 antagonists. Our approach was based on structural modifications of reported (adamantan-1-yl)methylbenzamides able to inhibit the receptor activation. The adamantane moieties and the amide bond were replaced, and the replacements were evaluated by a ligand-based pharmacophore model. The antagonistic potency of the synthesized analogues was assessed by two-electrode voltage clamp experiments, using Xenopus laevis oocytes that express the human P2X7 receptor. SAR studies suggested that the replacement of the adamantane ring by an aryl-cyclohexyl moiety afforded the most potent antagonists against the activation of the P2X7 cation channel, with analogue 2-chloro-N-[1-(3-(nitrooxymethyl)phenyl)cyclohexyl)methyl]benzamide ( 56 ) exhibiting the best potency with an IC₅₀ value of 0.39 μM.     

Influence of Nb5+ ions on phase transitions and polar disorder above TC in PbZrO3 studied by Raman spectroscopy

Micro-Raman light scattering experiments on PbZrO₃ (PZO) single crystal doped with Nb⁵⁺ have been investigated. Special attention was paid to the paraelectric (PE) phase in which nominally forbidden first-order Raman spectra were detected at temperatures far above the phase transition T_C. Complex Raman spectra were observed in the vicinity of three structural phase transitions. These results mainly from the coexistence of phases with different symmetries in a wide temperature range below T_C. The Raman measurements have been compared with dielectric and optical observations and proved that polar nanoregions in a centrosymmetric lattice appear well above T_C. It was shown that doping ABO₃ perovskites with heterovalent ions like Nb⁵⁺ unbalances charge neutrality of the lattice and strongly extends the temperature range of polar regions. The investigations performed point out that in the PE matrix the interaction between electrons and lattice vibrations, as recently suggested for pure PZO, plays an important role.     

Thermodynamic modeling of solid solutions between monosulfate and monochromate 3CaO • Al2O3 • Ca[(CrO4)x(SO4)1-x] • nH2O

In hydrated cement paste AFm-phases are regarded to play an important role in the binding of the toxic contaminant chromate through isomorphic substitution with sulfate. Solid solutions formation can lower the solubility of the solids, thus reducing chromate leaching concentrations.Solid solutions between monosulfate and monochromate were synthesized and characterized by X-ray diffraction (XRD), thermogravimetric analysis (TGA), scanning electron microscopy (SEM), energy dispersive x-ray spectroscopy (EDX) and inductive coupled plasma optical emission spectroscopy (ICP-OES). Based on the measured ion concentrations in solution total solubility products of the solid solution series were determined.For pure monochromate a logK = ? 28.4 ± 0.7 was determined. Results from solid and solution analysis showed that limited solid solutions exist. Based on XRD diffractograms a solid solution with a miscibility gap 0.15 < Crx < 0.85 with a dimensionless Guggenheim parameter of 2.43 was proposed.     

Immobilization of α‐amylase in polyelectrolyte complexes

Herein, we report the formation of α‐amylase containing polyelectrolyte complexes (PECs). The method for the encapsulation of α‐amylase is based on interactions between two oppositely charged polyelectrolytes, poly(acrylic acid) (PAA) and polyethylenimine (PEI). We could show that electrostatic interactions ensure the incorporation of the enzyme into the formed polyelectrolyte complexes. The encapsulation has no negative effect on enzyme activity and protects against denaturation of the enzyme initiated by low pH values. The resulting PECs are 150–250 nm in size with narrow size distribution, appear in a spherical shape and are colloidally stable. The complexation of both polyelectrolytes and the immobilization of α‐amylase are investigated using fractionating techniques mainly the analytical ultracentrifugation and asymmetrical‐flow field‐flow fractionation. The formation of PECs represents a simple method for the encapsulation of α‐amylase without the use of organic solvents and requires no additional purifications steps. This one‐step approach, yielding high encapsulation efficiencies, shows the potential as a drug delivery system for sensitive hydrophilic actives in future. α‐amylase is immobilized in polyelectrolyte complexes made of polyethylenimine and poly(acrylic acid). Optimized encapsulation conditions and the resulting polyelectrolyte complexes are investigated via determination of IEP, α‐amylase activity assays, nanoDSC measurements, zeta potential values, dynamic light scattering, microscopy, and fractionating techniques. The encapsulated enzyme is protected against denaturation initiated by low pH values. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017 , 134, 45036.     

A Well Protected Intruder: The Effective Antimicrobial Defense of the Invasive Ladybird Harmonia axyridis

The harlequin ladybird Harmonia axyridis (Coleoptera: Coccinellidae) is a polyphagous predatory beetle native to Central and Eastern Asia. Since 2007 it has established all over Central Europe. In order to elucidate which defense strategy is responsible for its high resistance to diseases, we tested hemolymph as well as eleven main components of the headspace of H. axyridis for antimicrobial activity against Gram-positive (Bacillus subtilis, B. thuringiensis ssp. tenebrionis, Micrococcus luteus) and Gram-negative bacteria (Escherichia coli) and yeast (Saccharomyces cerevisiae). While three of the volatile compounds weakly reduced the growth of microorganisms, hemolymph of adults and larvae of H. axyridis strongly inhibited the growth of Gram-positive and Gram-negative bacteria as well as yeast. Furthermore, we compared the antimicrobial activity in the hemolymph of H. axyridis and Coccinella septempunctata. Antimicrobial activity in H. axyridis was about a thousand times higher compared to hemolymph from C. septempunctata. In contrast to C. septempunctata, the antimicrobial activity in H. axyridis was present without prior challenge. Minimal inhibitory concentration (MIC) of the hemolymph of H. axyridis was lowest against E. coli and yeast followed by B. subtilis, and was highest against entomopathogenic B. thuringiensis ssp. tenebrionidae. Furthermore, MIC values of the hemolymph obtained from live beetles were significantly lower than from frozen insects. This suggests that the active antimicrobial compound is affected by freezing and subsequent thawing of the beetles. Potential implications of our findings for the competitive advantages of H. axyridis over C. septempunctata are discussed.     

Generation of carrier peptides for the delivery of nucleic acid drugs in primary cells

Now that the human genome has been decoded, the demand for novel therapeutic concepts, such as gene and stem cell therapy, is higher than ever before. Although new and better pharmaceutical agents are available, their efficient delivery to the intracellular site of action is still a serious challenge. A possible solution to this problem is the use of cell-penetrating peptides as delivery vectors, including derivatives of human calcitonin (hCT). The aim of this study was to synthesise novel branched hCT-derived peptides for the noncovalent delivery of nucleic acids. The uptake of the resulting oligocationic peptides into various cell lines as well as primary cells was monitored by fluorescence microscopy. To determine the appropriate peptide-plasmid charge ratios for efficient cell transfection, electromobility shift assays were carried out. Finally, flow cytometric and fluorescence microscopic studies of gene expression highlighted two novel hCT-derived peptides as highly effective in the delivery of noncovalently complexed plasmid DNA. Thus, the absence of cytotoxicity paired with highly efficient cell internalisation and transfection rates, in primary cells as well, make both peptides powerful candidates as drug delivery vectors, especially for plasmid DNA, for both in vivo and ex vivo therapeutic applications.