Estimated N leaching losses for organic and conventional farming in Denmark

The impact of organic compared to conventional farming practices on N leaching loss was studied for Danish mixed dairy and arable farms using an N balance approach based on representative data. On mixed dairy farms a simple N balance method was used to estimate N surplus and N leaching loss. On arable farms the simple N balance method was unreliable due to changes in the soil N pool. Consequently, the FASSET simulation model was used to estimate N surplus, N leaching loss and the changes in the soil N pool. The study found a lower N leaching loss from organic than conventional mixed dairy farms, primarily due to lower N inputs. On organic arable farms the soil N pool was increasing over years but the N leaching loss was comparable to conventional arable farms. The soil N pool was primarily increased by organic farming practices and incorporation of straw. The highest increase in the soil N pool was seen on soils with a low level of soil organic matter. The level of N leaching loss was dependent on soil type, the use of catch crops and the level of soil organic matter, whereas incorporation of straw had a minor effect. N leaching was highest on sandy soils with a high level of soil organic matter and no catch crops. The study stresses the importance of using representative data of organic and conventional farming practices in comparative studies of N leaching loss

Starre biomimetische Adrenalinrezeptor-Modelle

Im Rahmen dieser Arbeit wurden starre biomimetische Rezeptoren auf Bisphosphonat-Basis für Catecholamine, die eine wichtige Klasse von Hormonen und Neurotransmittern darstellen, entwickelt und synthetisiert. Diese makrozyklischen oder pinzettenförmigen Wirtverbindungen wurden durch 1H-NMR-Titrationen auf ihre Bindungseigenschaften in polarer Lösung untersucht. Desweiteren wurden die amphiphilen Rezeptoren in eine Lipidmonoschicht an der Luft/Wasser-Grenzschicht eingelagert und zeigten auch in diesem einfachen Membranmodell starke und selektive Bindung von Adrenalinderivaten

yApoptosis: yeast apoptosis database

In the past few years, programmed cell death (PCD) has become a popular research area due to its fundamental aspects and its links to human diseases. Yeast has been used as a model for studying PCD, since the discovery of morphological markers of apoptotic cell death in yeast in 1997. Increasing knowledge in identification of components and molecular pathways created a need for organization of information. To meet the demands from the research community, we have developed a curated yeast apoptosis database, yApoptosis. The database structurally collects an extensively curated set of apoptosis, PCD and related genes, their genomic information, supporting literature and relevant external links. A web interface including necessary functions is provided to access and download the data. In addition, we included several networks where the apoptosis genes or proteins are involved, and present them graphically and interactively to facilitate rapid visualization. We also promote continuous inputs and curation by experts. yApoptosis is a highly specific resource for sharing information online, which supports researches and studies in the field of yeast apoptosis and cell death

Impact of organic pig production systems on CO2 emission, C sequestration and nitrate pollution

Organic rules for grazing and access to outdoor area in pig production may be met in different ways, which express compromises between considerations for animal welfare, feed self-reliance and negative environmental impact such as greeehouse gas emissions and nitrate pollution. This article compares environmental impact of the main organic pig systems in Denmark. Normally sows are kept in huts on grassland and finishing pigs are being raised in stables with access to an outdoor run. One alternative practised is rearing also the fattening pigs on grassland all year round. The third method investigated was a one-unit pen system mainly consisting of a deep litter area under a climate tent and with restricted access to a grazing area. Using life cycle assessment (LCA) methodology, the emissions of greenhouse gasses of the all free range system was estimated to be 3.3 kg CO2-equivalents kg-1 liveweight pig, which was significantly higher than the indoor fattening system and the tent system yeilding 2.9 and 2.8 kg CO2-eq. kg-1 pig respectively. This was 7-22% higher compared with Danish conventional pig production but, due to the integration of grass-clover in the organic crop rotations these had an estimated net soil carbon sequestration. When carbon sequestration was included in the LCA then the organic systems had lower green house gas emissions compared with the conventional pig production. Eutrophication in nitrate equivalents per kg pig was 21-65% higher in the organic pig systems and acidification was 35-45% higher per kg organic pig compared with the conventional system. We conclude that even though the all free range system theoretically has agro-ecological advantages over the indoor fattening system and the tent system due to a larger grass-clover area this potential is difficult to implement in practice due to problems with leaching on sandy soil. Only if forage can contribute a larger proportion of the pigfeed-uptake may the free range system be economically and environmentally competitive. Improvement of nitrogen cycling and efficiency is the most important factor for reducing the overall environmental load from organic pig meat. Presently a system with pig fattening in stables and concrete covered outdoor runs seems to be the best solution from an environmental point of view

Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulations

Little is known about the influence of multiple consecutive ‘non-standard’ (Z, 6-amino-5-nitro-2(1H)-pyridone, and P, 2-amino-imidazo[1,2-a]-1,3,5-triazin-4(8H)-one) nucleobase pairs on the structural parameters of duplex DNA. P:Z nucleobase pairs follow standard rules for Watson–Crick base pairing but have rearranged hydrogen bonding donor and acceptor groups. Using the X-ray crystal structure as a starting point, we have modeled the motions of a DNA duplex built from a self-complementary oligonucleotide (5΄-CTTATPPPZZZATAAG-3΄) in water over a period of 50 μs and calculated DNA local parameters, step parameters, helix parameters, and major/minor groove widths to examine how the presence of multiple, consecutive P:Z nucleobase pairs might impact helical structure. In these simulations, the PZ-containing DNA duplex exhibits a significantly wider major groove and greater average values of stagger, slide, rise, twist and h-rise than observed for a ‘control’ oligonucleotide in which P:Z nucleobase pairs are replaced by G:C. The molecular origins of these structural changes are likely associated with at least two differences between P:Z and G:C. First, the electrostatic properties of P:Z differ from G:C in terms of density distribution and dipole moment. Second, differences are seen in the base stacking of P:Z pairs in dinucleotide steps, arising from energetically favorable stacking of the nitro group in Z with π–electrons of the adjacent base

Gas phase RDX decomposition pathways using coupled cluster theory

Electronic and free energy barriers for a series of gas-phase RDX decomposition mechanisms have been obtain using coupled cluster singles, doubles, and perturbative triples with complete basis set (CCSD(T)/CBS) electronic energies for MBPT(2)/cc-pVTZ structures. Importantly, we have located a well-defined transition state for NN homolysis, in the initial RDX decomposition step, thereby obtaining a true barrier for this reaction. These calculations support the view that HONO elimination is preferred at STP over other proposed mechanisms, including NN homolysis, “triple whammy” and NONO isomerization. Indeed, our calculated values of Arrhenius parameters are in agreement with experimental findings for gas phase RDX decomposition. We also investigate a number of new pathways leading to breakdown of the intermediate formed by the initial HONO elimination, and find that NN homolysis in this intermediate has an activation energy barrier comparable with that computed for HONO elimination

Structure and Biophysics for a Six Letter DNA Alphabet that Includes Imidazo[1,2-a]-1,3,5-triazine-2(8H)-4(3H)-dione (X) and 2,4-Diaminopyrimidine (K)

A goal of synthetic biology is to develop new nucleobases that retain the desirable properties of natural nucleobases at the same time as expanding the genetic alphabet. The nonstandard Watson-Crick pair between imidazo[1,2-a]-1,3,5-triazine-2(8H)-4(3H)-dione (X) and 2,4-diaminopyrimidine (K) does exactly this, pairing via complementary arrangements of hydrogen bonding in these two nucleobases, which do not complement any natural nucleobase. Here, we report the crystal structure of a duplex DNA oligonucleotide in B-form including two consecutive X:K pairs in GATCXK DNA determined as a host-guest complex at 1.75 Å resolution. X:K pairs have significant propeller twist angles, similar to those observed for A:T pairs, and a calculated hydrogen bonding pairing energy that is weaker than that of A:T. Thus, although inclusion of X:K pairs results in a duplex DNA structure that is globally similar to that of an analogous G:C structure, the X:K pairs locally and energetically more closely resemble A:T pairs