@misc{EhlertHolzweberLippitzetal.2016, author = {Ehlert, Christopher and Holzweber, Markus and Lippitz, Andreas and Unger, Wolfgang E. S. and Saalfrank, Peter}, title = {A detailed assignment of NEXAFS resonances of imidazolium based ionic liquids}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-394417}, pages = {8654 -- 8661}, year = {2016}, abstract = {In Near Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy X-Ray photons are used to excite tightly bound core electrons to low-lying unoccupied orbitals of the system. This technique offers insight into the electronic structure of the system as well as useful structural information. In this work, we apply NEXAFS to two kinds of imidazolium based ionic liquids ([CnC1im]+[NTf2]- and [C4C1im]+[I]-). A combination of measurements and quantum chemical calculations of C K and N K NEXAFS resonances is presented. The simulations, based on the transition potential density functional theory method (TP-DFT), reproduce all characteristic features observed by the experiment. Furthermore, a detailed assignment of resonance features to excitation centers (carbon or nitrogen atoms) leads to a consistent interpretation of the spectra.}, language = {en} } @misc{LevermannWinkelmann2016, author = {Levermann, Anders and Winkelmann, Ricarda}, title = {A simple equation for the melt elevation feedback of ice sheets}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {529}, issn = {1866-8372}, doi = {10.25932/publishup-40983}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-409834}, pages = {9}, year = {2016}, abstract = {In recent decades, the Greenland Ice Sheet has been losing mass and has thereby contributed to global sea-level rise. The rate of ice loss is highly relevant for coastal protection worldwide. The ice loss is likely to increase under future warming. Beyond a critical temperature threshold, a meltdown of the Greenland Ice Sheet is induced by the self-enforcing feedback between its lowering surface elevation and its increasing surface mass loss: the more ice that is lost, the lower the ice surface and the warmer the surface air temperature, which fosters further melting and ice loss. The computation of this rate so far relies on complex numerical models which are the appropriate tools for capturing the complexity of the problem. By contrast we aim here at gaining a conceptual understanding by deriving a purposefully simple equation for the self-enforcing feedback which is then used to estimate the melt time for different levels of warming using three observable characteristics of the ice sheet itself and its surroundings. The analysis is purely conceptual in nature. It is missing important processes like ice dynamics for it to be useful for applications to sea-level rise on centennial timescales, but if the volume loss is dominated by the feedback, the resulting logarithmic equation unifies existing numerical simulations and shows that the melt time depends strongly on the level of warming with a critical slow-down near the threshold: the median time to lose 10\% of the present-day ice volume varies between about 3500 years for a temperature level of 0.5 degrees C above the threshold and 500 years for 5 degrees C. Unless future observations show a significantly higher melting sensitivity than currently observed, a complete meltdown is unlikely within the next 2000 years without significant ice-dynamical contributions.}, language = {en} } @misc{JingKumarHesseetal.2020, author = {Jing, Miao and Kumar, Rohini and Heße, Falk and Thober, Stephan and Rakovec, Oldrich and Samaniego, Luis and Attinger, Sabine}, title = {Assessing the response of groundwater quantity and travel time distribution to 1.5, 2, and 3 °C global warming in a mesoscale central German basin}, series = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {3}, issn = {1866-8372}, doi = {10.25932/publishup-50934}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-509343}, pages = {18}, year = {2020}, abstract = {Groundwater is the biggest single source of high-quality freshwater worldwide, which is also continuously threatened by the changing climate. In this paper, we investigate the response of the regional groundwater system to climate change under three global warming levels (1.5, 2, and 3 ∘C) in a central German basin (N{\"a}gelstedt). This investigation is conducted by deploying an integrated modeling workflow that consists of a mesoscale hydrologic model (mHM) and a fully distributed groundwater model, OpenGeoSys (OGS). mHM is forced with climate simulations of five general circulation models under three representative concentration pathways. The diffuse recharges estimated by mHM are used as boundary forcings to the OGS groundwater model to compute changes in groundwater levels and travel time distributions. Simulation results indicate that groundwater recharges and levels are expected to increase slightly under future climate scenarios. Meanwhile, the mean travel time is expected to decrease compared to the historical average. However, the ensemble simulations do not all agree on the sign of relative change. Changes in mean travel time exhibit a larger variability than those in groundwater levels. The ensemble simulations do not show a systematic relationship between the projected change (in both groundwater levels and travel times) and the warming level, but they indicate an increased variability in projected changes with adjusting the enhanced warming level from 1.5 to 3 ∘C. Correspondingly, it is highly recommended to restrain the trend of global warming.}, language = {en} } @article{JingKumarHesseetal.2020, author = {Jing, Miao and Kumar, Rohini and Heße, Falk and Thober, Stephan and Rakovec, Oldrich and Samaniego, Luis and Attinger, Sabine}, title = {Assessing the response of groundwater quantity and travel time distribution to 1.5, 2, and 3 °C global warming in a mesoscale central German basin}, series = {Hydrology and Earth System Sciences}, volume = {24}, journal = {Hydrology and Earth System Sciences}, number = {3}, publisher = {Copernicus Publ.}, address = {G{\"o}ttingen}, issn = {1607-7938}, doi = {10.5194/hess-24-1511-2020}, pages = {1511 -- 1526}, year = {2020}, abstract = {Groundwater is the biggest single source of high-quality freshwater worldwide, which is also continuously threatened by the changing climate. In this paper, we investigate the response of the regional groundwater system to climate change under three global warming levels (1.5, 2, and 3 ∘C) in a central German basin (N{\"a}gelstedt). This investigation is conducted by deploying an integrated modeling workflow that consists of a mesoscale hydrologic model (mHM) and a fully distributed groundwater model, OpenGeoSys (OGS). mHM is forced with climate simulations of five general circulation models under three representative concentration pathways. The diffuse recharges estimated by mHM are used as boundary forcings to the OGS groundwater model to compute changes in groundwater levels and travel time distributions. Simulation results indicate that groundwater recharges and levels are expected to increase slightly under future climate scenarios. Meanwhile, the mean travel time is expected to decrease compared to the historical average. However, the ensemble simulations do not all agree on the sign of relative change. Changes in mean travel time exhibit a larger variability than those in groundwater levels. The ensemble simulations do not show a systematic relationship between the projected change (in both groundwater levels and travel times) and the warming level, but they indicate an increased variability in projected changes with adjusting the enhanced warming level from 1.5 to 3 ∘C. Correspondingly, it is highly recommended to restrain the trend of global warming.}, language = {en} } @misc{NakamuraClaesGrebeetal.2018, author = {Nakamura, Moritaka and Claes, Andrea R. and Grebe, Tobias and Hermkes, Rebecca and Viotti, Corrado and Ikeda, Yoshihisa and Grebe, Markus}, title = {Auxin and ROP GTPase signaling of polar nuclear migration in root epidermal hair cells}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {992}, issn = {1866-8372}, doi = {10.25932/publishup-44127}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-441278}, pages = {378 -- 391}, year = {2018}, abstract = {Polar nuclear migration is crucial during the development of diverse eukaryotes. In plants, root hair growth requires polar nuclear migration into the outgrowing hair. However, knowledge about the dynamics and the regulatory mechanisms underlying nuclear movements in root epidermal cells remains limited. Here, we show that both auxin and Rho-of-Plant (ROP) signaling modulate polar nuclear position at the inner epidermal plasma membrane domain oriented to the cortical cells during cell elongation as well as subsequent polar nuclear movement to the outer domain into the emerging hair bulge in Arabidopsis (Arabidopsis thaliana). Auxin signaling via the nuclear AUXIN RESPONSE FACTOR7 (ARF7)/ARF19 and INDOLE ACETIC ACID7 pathway ensures correct nuclear placement toward the inner membrane domain. Moreover, precise inner nuclear placement relies on SPIKE1 Rho-GEF, SUPERCENTIPEDE1 Rho-GDI, and ACTIN7 (ACT7) function and to a lesser extent on VTI11 vacuolar SNARE activity. Strikingly, the directionality and/or velocity of outer polar nuclear migration into the hair outgrowth along actin strands also are ACT7 dependent, auxin sensitive, and regulated by ROP signaling. Thus, our findings provide a founding framework revealing auxin and ROP signaling of inner polar nuclear position with some contribution by vacuolar morphology and of actin-dependent outer polar nuclear migration in root epidermal hair cells.}, language = {en} } @article{BanerjeeLipowskySanter2020, author = {Banerjee, Pallavi and Lipowsky, Reinhard and Santer, Mark}, title = {Coarse-grained molecular model for the Glycosylphosphatidylinositol anchor with and without protein}, series = {Journal of Chemical Theory and Computation}, volume = {16}, journal = {Journal of Chemical Theory and Computation}, number = {6}, publisher = {ACS Publications}, address = {Washington DC}, issn = {1549-9626}, doi = {10.1021/acs.jctc.0c00056}, pages = {15}, year = {2020}, abstract = {Glycosylphosphatidylinositol (GPI) anchors are a unique class of complex glycolipids that anchor a great variety of proteins to the extracellular leaflet of plasma membranes of eukaryotic cells. These anchors can exist either with or without an attached protein called GPI-anchored protein (GPI-AP) both in vitro and in vivo. Although GPIs are known to participate in a broad range of cellular functions, it is to a large extent unknown how these are related to GPI structure and composition. Their conformational flexibility and microheterogeneity make it difficult to study them experimentally. Simplified atomistic models are amenable to all-atom computer simulations in small lipid bilayer patches but not suitable for studying their partitioning and trafficking in complex and heterogeneous membranes. Here, we present a coarse-grained model of the GPI anchor constructed with a modified version of the MARTINI force field that is suited for modeling carbohydrates, proteins, and lipids in an aqueous environment using MARTINI's polarizable water. The nonbonded interactions for sugars were reparametrized by calculating their partitioning free energies between polar and apolar phases. In addition, sugar-sugar interactions were optimized by adjusting the second virial coefficients of osmotic pressures for solutions of glucose, sucrose, and trehalose to match with experimental data. With respect to the conformational dynamics of GPI-anchored green fluorescent protein, the accessible time scales are now at least an order of magnitude larger than for the all-atom system. This is particularly important for fine-tuning the mutual interactions of lipids, carbohydrates, and amino acids when comparing to experimental results. We discuss the prospective use of the coarse-grained GPI model for studying protein-sorting and trafficking in membrane models.}, language = {en} } @misc{BanerjeeLipowskySanter2020, author = {Banerjee, Pallavi and Lipowsky, Reinhard and Santer, Mark}, title = {Coarse-grained molecular model for the Glycosylphosphatidylinositol anchor with and without protein}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {6}, issn = {1866-8372}, doi = {10.25932/publishup-52374}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-523742}, pages = {17}, year = {2020}, abstract = {Glycosylphosphatidylinositol (GPI) anchors are a unique class of complex glycolipids that anchor a great variety of proteins to the extracellular leaflet of plasma membranes of eukaryotic cells. These anchors can exist either with or without an attached protein called GPI-anchored protein (GPI-AP) both in vitro and in vivo. Although GPIs are known to participate in a broad range of cellular functions, it is to a large extent unknown how these are related to GPI structure and composition. Their conformational flexibility and microheterogeneity make it difficult to study them experimentally. Simplified atomistic models are amenable to all-atom computer simulations in small lipid bilayer patches but not suitable for studying their partitioning and trafficking in complex and heterogeneous membranes. Here, we present a coarse-grained model of the GPI anchor constructed with a modified version of the MARTINI force field that is suited for modeling carbohydrates, proteins, and lipids in an aqueous environment using MARTINI's polarizable water. The nonbonded interactions for sugars were reparametrized by calculating their partitioning free energies between polar and apolar phases. In addition, sugar-sugar interactions were optimized by adjusting the second virial coefficients of osmotic pressures for solutions of glucose, sucrose, and trehalose to match with experimental data. With respect to the conformational dynamics of GPI-anchored green fluorescent protein, the accessible time scales are now at least an order of magnitude larger than for the all-atom system. This is particularly important for fine-tuning the mutual interactions of lipids, carbohydrates, and amino acids when comparing to experimental results. We discuss the prospective use of the coarse-grained GPI model for studying protein-sorting and trafficking in membrane models.}, language = {en} } @article{MarschallSkorovZakharovetal.2020, author = {Marschall, Raphael and Skorov, Yuri and Zakharov, Vladimir and Rezac, Ladislav and Gerig, Selina-Barbara and Christou, Chariton and Dadzie, S. Kokou and Migliorini, Alessandra and Rinaldi, Giovanna and Agarwal, Jessica and Vincent, Jean-Baptiste and Kappel, David}, title = {Cometary comae-surface links the physics of gas and dust from the surface to a spacecraft}, series = {Space science reviews}, volume = {216}, journal = {Space science reviews}, number = {8}, publisher = {Springer}, address = {Dordrecht}, issn = {0038-6308}, doi = {10.1007/s11214-020-00744-0}, pages = {53}, year = {2020}, abstract = {A comet is a highly dynamic object, undergoing a permanent state of change. These changes have to be carefully classified and considered according to their intrinsic temporal and spatial scales. The Rosetta mission has, through its contiguous in-situ and remote sensing coverage of comet 67P/Churyumov-Gerasimenko (hereafter 67P) over the time span of August 2014 to September 2016, monitored the emergence, culmination, and winding down of the gas and dust comae. This provided an unprecedented data set and has spurred a large effort to connect in-situ and remote sensing measurements to the surface. In this review, we address our current understanding of cometary activity and the challenges involved when linking comae data to the surface. We give the current state of research by describing what we know about the physical processes involved from the surface to a few tens of kilometres above it with respect to the gas and dust emission from cometary nuclei. Further, we describe how complex multidimensional cometary gas and dust models have developed from the Halley encounter of 1986 to today. This includes the study of inhomogeneous outgassing and determination of the gas and dust production rates. Additionally, the different approaches used and results obtained to link coma data to the surface will be discussed. We discuss forward and inversion models and we describe the limitations of the respective approaches. The current literature suggests that there does not seem to be a single uniform process behind cometary activity. Rather, activity seems to be the consequence of a variety of erosion processes, including the sublimation of both water ice and more volatile material, but possibly also more exotic processes such as fracture and cliff erosion under thermal and mechanical stress, sub-surface heat storage, and a complex interplay of these processes. Seasons and the nucleus shape are key factors for the distribution and temporal evolution of activity and imply that the heliocentric evolution of activity can be highly individual for every comet, and generalisations can be misleading.}, language = {en} } @article{EhrlichGaedke2020, author = {Ehrlich, Elias and Gaedke, Ursula}, title = {Coupled changes in traits and biomasses cascading through a tritrophic plankton food web}, series = {Limnology and oceanography}, volume = {65}, journal = {Limnology and oceanography}, number = {10}, publisher = {Wiley}, address = {Hoboken}, issn = {0024-3590}, doi = {10.1002/lno.11466}, pages = {2502 -- 2514}, year = {2020}, abstract = {Trait-based approaches have broadened our understanding of how the composition of ecological communities responds to environmental drivers. This research has mainly focussed on abiotic factors and competition determining the community trait distribution, while effects of trophic interactions on trait dynamics, if considered at all, have been studied for two trophic levels at maximum. However, natural food webs are typically at least tritrophic. This enables indirect interactions of traits and biomasses among multiple trophic levels leading to underexplored effects on food web dynamics. Here, we demonstrate the occurrence of mutual trait adjustment among three trophic levels in a natural plankton food web (Lake Constance) and in a corresponding mathematical model. We found highly recurrent seasonal biomass and trait dynamics, where herbivorous zooplankton increased its size, and thus its ability to counter phytoplankton defense, before phytoplankton defense actually increased. This is contrary to predictions from bitrophic systems where counter-defense of the consumer is a reaction to prey defense. In contrast, counter-defense of carnivores by size adjustment followed the defense of herbivores as expected. By combining observations and model simulations, we show how the reversed trait dynamics at the two lower trophic levels result from a "trophic biomass-trait cascade" driven by the carnivores. Trait adjustment between two trophic levels can therefore be altered by biomass or trait changes of adjacent trophic levels. Hence, analyses of only pairwise trait adjustment can be misleading in natural food webs, while multitrophic trait-based approaches capture indirect biomass-trait interactions among multiple trophic levels.}, language = {en} } @phdthesis{Blessmann2010, author = {Bleßmann, Daniela}, title = {Der Einfluss der Dynamik auf die stratosph{\"a}rische Ozonvariabilit{\"a}t {\"u}ber der Arktis im Fr{\"u}hwinter}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-51394}, school = {Universit{\"a}t Potsdam}, year = {2010}, abstract = {Der fr{\"u}hwinterliche Ozongehalt ist ein Indikator f{\"u}r den Ozongehalt im Sp{\"a}twinter/Fr{\"u}hjahr. Jedoch weist dieser aufgrund von Absinkprozessen, chemisch bedingten Ozonabbau und Wellenaktivit{\"a}t von Jahr zu Jahr starke Schwankungen auf. Die vorliegende Arbeit zeigt, dass diese Variabilit{\"a}t weitestgehend auf dynamische Prozesse w{\"a}hrend der Wirbelbildungsphase des arktischen Polarwirbels zur{\"u}ckgeht. Ferner wird der bisher noch ausstehende Zusammenhang zwischen dem fr{\"u}h- und sp{\"a}twinterlichen Ozongehalt bez{\"u}glich Dynamik und Chemie aufgezeigt. F{\"u}r die Untersuchung des Zusammenhangs zwischen der im Polarwirbel eingeschlossenen Luftmassenzusammensetzung und Ozonmenge wurden Beobachtungsdaten von Satellitenmessinstrumenten und Ozonsonden sowie Modellsimulationen des Lagrangschen Chemie/Transportmodells ATLAS verwandt. Die {\"u}ber die Fl{\"a}che (45-75°N) und Zeit (August-November) gemittelte Vertikalkomponente des Eliassen-Palm-Flussvektors durch die 100hPa-Fl{\"a}che zeigt eine Verbindung zwischen der fr{\"u}hwinterlichen wirbelinneren Luftmassenzusammensetzung und der Wirbelbildungsphase auf. Diese ist jedoch nur f{\"u}r die untere Stratosph{\"a}re g{\"u}ltig, da die Vertikalkomponente die sich innerhalb der Stratosph{\"a}re {\"a}ndernden Wellenausbreitungsbedingungen nicht erfasst. F{\"u}r eine verbesserte H{\"o}hendarstellung des Signals wurde eine neue integrale auf der Wellenamplitude und dem Charney-Drazin-Kriterium basierende Gr{\"o}ße definiert. Diese neue Gr{\"o}ße verbindet die Wellenaktivit{\"a}t w{\"a}hrend der Wirbelbildungsphase sowohl mit der Luftmassenzusammensetzung im Polarwirbel als auch mit der Ozonverteilung {\"u}ber die Breite. Eine verst{\"a}rkte Wellenaktivit{\"a}t f{\"u}hrt zu mehr Luft aus niedrigeren ozonreichen Breiten im Polarwirbel. Aber im Herbst und Fr{\"u}hwinter zerst{\"o}ren chemische Prozesse, die das Ozon ins Gleichgewicht bringen, die interannuale wirbelinnere Ozonvariablit{\"a}t, die durch dynamische Prozesse w{\"a}hrend der arktischen Polarwirbelbildungsphase hervorgerufen wird. Eine Analyse in Hinblick auf den Fortbestand einer dynamisch induzierten Ozonanomalie bis in den Mittwinter erm{\"o}glicht eine Absch{\"a}tzung des Einflusses dieser dynamischen Prozesse auf den arktischen Ozongehalt. Zu diesem Zweck wurden f{\"u}r den Winter 1999-2000 Modelll{\"a}ufe mit dem Lagrangesche Chemie/Transportmodell ATLAS gerechnet, die detaillierte Informationen {\"u}ber den Erhalt der k{\"u}nstlichen Ozonvariabilit{\"a}t hinsichtlich Zeit, H{\"o}he und Breite liefern. Zusammengefasst, besteht die dynamisch induzierte Ozonvariabilit{\"a}t w{\"a}hrend der Wirbelbildungsphase l{\"a}nger im Inneren als im {\"A}ußeren des Polarwirbels und verliert oberhalb von 750K potentieller Temperatur ihre signifikante Wirkung auf die mittwinterliche Ozonvariabilit{\"a}t. In darunterliegenden H{\"o}henbereichen ist der Anteil an der urspr{\"u}nglichen St{\"o}rung groß, bis zu 90\% auf der 450K. Innerhalb dieses H{\"o}henbereiches {\"u}ben die dynamischen Prozesse w{\"a}hrend der Wirbelbildungsphase einen entscheidenden Einfluss auf den Ozongehalt im Mittwinter aus.}, language = {de} }