Decision support for the selection of measures according to the requirements of the EU Water Framework Directive

One of the major scientific challenges posed by the EU Water Framework Directive (WFD) is the de-sign of a decision support process that meets the directive's requirement to achieve good status using a cost-effective combination of measures. This paper presents BASINFORM, a new decision tool for selecting cost-effective management measures that has been developed in close co-operation with a number of water authorities and tested in the 5154 km² mesoscale 4th order river Weisse Elster in central Germany. BASINFORM comprises (i) a set procedure for framing the problem concerned, including proposals for quantifying the discrepancy between the status quo and the good water status to be achieved (i.e. the need for action); (ii) modelling tools quantifying the impacts of management measures (e.g. Meta-CANDY and WASP 5); and (iii) a method for selecting cost-effective combina-tions of measures. A trial run of BASINFORM in the Weisse Elster catchment revealed that (i) good surface water status with respect to nutrients can not be achieved if only the "standard" actions of current water management are taken to reduce point sources (sewage treatment) and diffuse agricul-tural sources and (ii) the available measures for nutrient reduction will generate considerable costs. The testing of BASINFORM in the case study proved its practical applicability in the WFD implementa-tion process

Integrated nutrient transport modelling with respect to the implementation of the European WFD: The Weiße Elster Case Study, Germany

The goal of the European Water Framework Directive (WFD) is to protect and enhance the status of aquatic and terrestrial ecosystems. To reach this objective an integrated methodology for the implementation of the WFD is essential. The methodology presented was developed within an interdisciplinary research project on the highly polluted 4th order Weiße Elster River basin, a large subcatchment of the Saale basin (Germany), which is part of the UNESCO-IHP HELP program. The project focuses on nutrient management in order to achieve a good ecological status of surface waters. The paper focuses on an integrated modelling of nitrogen transport and comprises combined terrestrial and in-stream transport processes. The mitigation of diffuse and point sources pollution is thereby essential to meet the environmental objectives. Land-use scenarios on both organic farming systems and best management practices were analysed and compared with different strategies to reduce point source. The results show that the possible reduction of nitrogen inputs from point sources is much lower compared to the reduction of diffuse inputs from agricultural land use. The results on in-stream nitrogen transformation show that different morphological factors influence the nitrogen retention considerably. The potential of management measures to reduce nitrogen loads by river restoration measures seems to be limited. This is caused by infrastructural facilities that restrict attaining a natural state of river morphology.Keywords: river basin management, nutrient transport, river restoration, SWAT, WAS

Effect of metal Ions (Ni2+, Cu2+ and Zn2+) and water coordination on the structure of L-phenylalanine, L-tyrosine, L-tryptophan and their zwitterionic forms

Methods of quantum chemistry have been applied to double-charged complexes involving the transition metals Ni2+, Cu2+ and Zn2+ with the aromatic amino acids (AAA) phenylalanine, tyrosine and tryptophan. The effect of hydration on the relative stability and geometry of the individual species studied has been evaluated within the supermolecule approach. The interaction enthalpies, entropies and Gibbs energies of nine complexes Phe•M, Tyr•M, Trp•M, (M = Ni2+, Cu2+ and Zn2+) were determined at the Becke3LYP density functional level of theory. Of the transition metals studied the bivalent copper cation forms the strongest complexes with AAAs. For Ni2+and Cu2+ the most stable species are the NO coordinated cations in the AAA metal complexes, Zn2+cation prefers a binding to the aromatic part of the AAA (complex II). Some complexes energetically unfavored in the gas-phase are stabilized upon microsolvation

A combined QM/MM molecular dynamics simulations study of nitrate anion (NO3) in aqueous solution

โครงการหนึ่งอาจารย์หนึ่งผลงาน ประจำปี 254

mRNA Vaccines Enhance Neutralizing Immunity against SARS-CoV-2 Variants in Convalescent and ChAdOx1-Primed Subjects

To identify the most efficient methods of immunological protection against SARS-CoV-2, including the currently most widespread variants of concern (VOCs)—B.1.1.7, B.1.351 and P.1—a simultaneous side-by-side-comparison of available vaccination regimes is required. In this observational cohort study, we compared immunological responses in 144 individuals vaccinated with the mRNA vaccines BNT162b2 or mRNA-1273 and the vector vaccine ChAdOx1-nCoV-19, either alone, in combination, or in the context of COVID-19-convalescence. Unvaccinated COVID-19-convalescent subjects served as a reference. We found that cellular and serological immune responses, including neutralizing capacity against VOCs, were significantly stronger with mRNA vaccines as compared with COVID-19-convalescent individuals or vaccinated individuals receiving the vector vaccine ChAdOx1-nCoV-19. Booster immunizations with mRNA vaccines triggered strong and broadly neutralizing antibody and IFN-γ responses in 100% of vaccinated individuals investigated. This effect was particularly strong in COVID-19-convalescent and ChAdOx1-nCoV-19-primed individuals, who were characterized by comparably moderate cellular and neutralizing antibody responses before mRNA vaccine booster. Heterologous vaccination regimes and convalescent booster regimes using mRNA vaccines may allow enhanced protection against SARS-CoV-2, including current VOCs. Furthermore, such regimes may facilitate rapid (re-)qualification of convalescent plasma donors with high titers of broadly neutralizing antibodies