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- ItemTrend detection in river flow indices in Poland(Heidelberg : Springer, 2018) Piniewski, Mikołaj; Marcinkowski, Paweł; Kundzewicz, Zbigniew W.The issue of trend detection in long time series of river flow records is of vast theoretical interest and considerable practical relevance. Water management is based on the assumption of stationarity; hence, it is crucial to check whether taking this assumption is justified. The objective of this study is to analyse long-term trends in selected river flow indices in small- and medium-sized catchments with relatively unmodified flow regime (semi-natural catchments) in Poland. The examined indices describe annual and seasonal average conditions as well as annual extreme conditions—low and high flows. The special focus is on the spatial analysis of trends, carried out on a comprehensive, representative data set of flow gauges. The present paper is timely, as no spatially comprehensive studies (i.e. covering the entire Poland or its large parts) on trend detection in time series of river flow have been done in the recent 15 years or so. The results suggest that there is a strong random component in the river flow process, the changes are weak and the spatial pattern is complex. Yet, the results of trend detection in different indices of river flow in Poland show that there exists a spatial divide that seems to hold quite generally for various indices (annual, seasonal, as well as low and high flow). Decreases of river flow dominate in the northern part of the country and increases usually in the southern part. Stations in the central part show mostly ‘no trend’ results. However, the spatial gradient is apparent only for the data for the period 1981–2016 rather than for 1956–2016. It seems also that the magnitude of increases of river flow is generally lower than that of decreases.
- Item2-hydroxyethylammonium iodide(Chester : International Union of Crystallography, 2014) Kohrt, C.; Spannenberg, A.; Werner, T.In the crystal structure of the title salt, C2H 8NO+·I-, N-H⋯O, N-H⋯I and O-H⋯I hydrogen bonds lead to the formation of layers staggered along the c axis.
- ItemCrystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate(Chester : International Union of Crystallography, 2015) Schirmer, Marie-Luis; Spannenberg, Anke; Werner, ThomasThe title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connected via the C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through the cis and trans ethoxycarbonyl groups, respectively. An intramolecular C-H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to the b axis by C-H...O hydrogen bonds.
- ItemIntermolecular hydrogen bonding in isostructural pincer complexes [OH-(t-BuPOCOPt-Bu)MCl] (M = Pd and Pt)(Chester : International Union of Crystallography, 2019) Joksch, M.; Spannenberg, A.; Beweries, T.In the crystal structure of the isostructural title compounds, namely {2,6-bis[(di-tert-butylphosphanyl)oxy]-4-hydroxyphenyl}chloridopalladium(II), [Pd(C22H39O3P2)Cl], 1, and {2,6-bis[(di-tert-butylphosphanyl)oxy]-4-hydroxyphenyl}chloridoplatinum(II), [Pt(C22H39O3P2)Cl], 2, the metal centres are coordinated in a distorted square-planar fashion by the POCOP pincer fragment and the chloride ligand. Both complexes form strong hydrogen-bonded chain structures through an interaction of the OH group in the 4-position of the aromatic POCOP backbone with the halide ligand.
- Item(Cyanido-κC)(2,2-diphenylacetamido-κ2 N,O)bis(η5-pentamethylcyclopentadienyl)zirconium(IV)(Chester : International Union of Crystallography, 2014) Becker, L.; Spannenberg, A.; Arndt, P.; Rosenthal, U.In the title compound, [Zr(C10H15)2(C14H12NO)(CN)], the ZrIV atom is coordinated by two pentamethylcyclopentadienyl ligands, the amidate ligand via the N and O atoms, and an additional C N ligand. The four-membered metallacycle is nearly planar (r.m.s. deviation = 0.008Å). In the crystal, the molecules are connected into centrosymmetric dimers via pairs of N - HN hydrogen bonds.
- ItemChanges of snow cover in Poland(Heidelberg : Springer, 2017) Szwed, Małgorzata; Pin´skwar, Iwona; Kundzewicz, Zbigniew W.; Graczyk, Dariusz; Mezghani, AbdelkaderThe present paper examines variability of characteristics of snow cover (snow cover depth, number of days with snow cover and dates of beginning and end of snow cover) in Poland. The study makes use of a set of 43 long time series of observation records from the stations in Poland, from 1952 to 2013. To describe temporal changes in snow cover characteristics, the intervals of 1952–1990 and of 1991–2013 are compared and trends in analysed data are sought (e.g., using the Mann–Kendall test). Observed behaviour of time series of snow-related variables is complex and not easy to interpret, for instance because of the location of the research area in the zone of transitional moderate climate, where strong variability of climate events is one of the main attributes. A statistical link between the North Atlantic Oscillation (NAO) index and the snow cover depth, as well as the number of snow cover days is found.
- ItemDehydroabietylamine-Based Cellulose Nanofibril Films: A New Class of Sustainable Biomaterials for Highly Efficient, Broad-Spectrum Antimicrobial Effects(Washington, DC : ACS Publications, 2019) Hassan, Ghada; Forsman, Nina; Wan, Xing; Keurulainen, Leena; Bimbo, Luis M.; Johansson, Leena-Sisko; Sipari, Nina; Yli-Kauhaluoma, Jari; Zimmermann, Ralf; Stehl, Susanne; Werner, Carsten; Saris, Per E.J.; Österberg, Monika; Moreira, Vânia M.The design of antimicrobial surfaces as integral parts of advanced biomaterials is nowadays a high research priority, as the accumulation of microorganisms on surfaces inflicts substantial costs on the health and industry sectors. At present, there is a growing interest in designing functional materials from polymers abundant in nature, such as cellulose, that combine sustainability with outstanding mechanical properties and economic production. There is also the need to find suitable replacements for antimicrobial silver-based agents due to environmental toxicity and spread of resistance to metal antimicrobials. Herein we report the unprecedented decoration of cellulose nanofibril (CNF) films with dehydroabietylamine 1 (CNF-CMC-1), to give an innovative contact-active surface active against Gram-positive and Gram-negative bacteria including the methicillin-resistant S. aureus MRSA14TK301, with low potential to spread resistance and good biocompatibility, all achieved with low surface coverage. CNF-CMC-1 was particularly effective against S. aureus ATCC12528, causing virtually complete reduction of the total cells from 10 5 colony forming units (CFU)/mL bacterial suspensions, after 24 h of contact. This gentle chemical modification of the surface of CNF fully retained the beneficial properties of the original film, including moisture buffering and strength, relevant in many potential applications. Our originally designed surface represents a new class of ecofriendly biomaterials that optimizes the performance of CNF by adding antimicrobial properties without the need for environmentally toxic silver. © Copyright 2019 American Chemical Society.
- ItemWhat can we learn from the projections of changes of flow patterns? Results from Polish case studies(Heidelberg : Springer, 2017) Piniewski, Mikołaj; Meresa, Hadush Kidane; Romanowicz, Renata; Osuch, Marzena; Szczes´niak, Mateusz; Kardel, Ignacy; Okruszko, Tomasz; Mezghani, Abdelkader; Kundzewicz, Zbigniew W.River flow projections for two future time horizons and RCP 8.5 scenario, generated by two projects (CHASE-PL and CHIHE) in the Polish-Norwegian Research Programme, were compared. The projects employed different hydrological models over different spatial domains. The semi-distributed, process-based, SWAT model was used in the CHASE-PL project for the entire Vistula and Odra basins area, whilst the lumped, conceptual, HBV model was used in the CHIHE project for eight Polish catchments, for which the comparison study was made. Climate projections in both studies originated from the common EURO-CORDEX dataset, but they were different, e.g. due to different bias correction approaches. Increases in mean annual and seasonal flows were projected in both studies, yet the magnitudes of changes were largely different, in particular for the lowland catchments in the far future. The HBV-based increases were significantly higher in the latter case than the SWAT-based increases in all seasons except winter. Uncertainty in projections is high and creates a problem for practitioners.
- ItemStructure-property relationships in nanoporous metallic glasses(Amsterdam [u.a.] : Elsevier Science, 2016) Şopu, D.; Soyarslan, C.; Sarac, B.; Bargmann, S.; Stoica, M.; Eckert, J.We investigate the influence of various critical structural aspects such as pore density, distribution, size and number on the deformation behavior of nanoporous Cu64 Zr36 glass. By using molecular dynamics and finite element simulations an effective strategy to control the strain localization in nanoporous heterostructures is provided. Depending on the pore distribution in the heterostructure, upon tensile loading the nanoporous glass showed a clear transition from a catastrophic fracture to localized deformation in one dominant shear band, and ultimately to homogeneous plastic flow mediated by a pattern of multiple shear bands. The change in the fracture mechanism from a shear band slip to necking-like homogeneous flow is quantitative interpreted by calculating the critical shear band length. Finally, we identify the most effective heterostructure with enhanced ductility as compared to the monolithic bulk metallic glass. The heterostructure with a fraction of pores of about 3% distributed in such a way that the pores do not align along the maximum shear stress direction shows higher plasticity while retaining almost the same strength as the monolithic glass. Our results provide clear evidence that the mechanical properties of nanoporous glassy materials can be tailored by carefully controlling the design parameters.
- ItemConformations of a Long Polymer in a Melt of Shorter Chains: Generalizations of the Flory Theorem(Washington, DC : ACS, 2015) Lang, Michael; Rubinstein, Michael; Sommer, Jens-UweLarge-scale simulations of the swelling of a long N-mer in a melt of chemically identical P-mers are used to investigate a discrepancy between theory and experiments. Classical theory predicts an increase of probe chain size R ∼ P–0.18 with decreasing degree of polymerization P of melt chains in the range of 1 < P < N1/2. However, both experiment and simulation data are more consistent with an apparently slower swelling R ∼ P–0.1 over a wider range of melt degrees of polymerization. This anomaly is explained by taking into account the recently discovered long-range bond correlations in polymer melts and corrections to excluded volume. We generalize the Flory theorem and demonstrate that it is in excellent agreement with experiments and simulations.