@phdthesis{Gomez2016,
  author    = {Gomez, David},
  title     = {Mechanisms of biochemical reactions within crowded environments},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-94593},
  school      = {Universit{\"a}t Potsdam},
  pages     = {vii, 112},
  year      = {2016},
  abstract  = {The cell interior is a highly packed environment in which biological macromolecules evolve and function. This crowded media has effects in many biological processes such as protein-protein binding, gene regulation, and protein folding. Thus, biochemical reactions that take place in such crowded conditions differ from diluted test tube conditions, and a considerable effort has been invested in order to understand such differences. In this work, we combine different computationally tools to disentangle the effects of molecular crowding on biochemical processes. First, we propose a lattice model to study the implications of molecular crowding on enzymatic reactions. We provide a detailed picture of how crowding affects binding and unbinding events and how the separate effects of crowding on binding equilibrium act together. Then, we implement a lattice model to study the effects of molecular crowding on facilitated diffusion. We find that obstacles on the DNA impair facilitated diffusion. However, the extent of this effect depends on how dynamic obstacles are on the DNA. For the scenario in which crowders are only present in the bulk solution, we find that at some conditions presence of crowding agents can enhance specific-DNA binding. Finally, we make use of structure-based techniques to look at the impact of the presence of crowders on the folding a protein. We find that polymeric crowders have stronger effects on protein stability than spherical crowders. The strength of this effect increases as the polymeric crowders become longer. The methods we propose here are general and can also be applied to more complicated systems.},
  language  = {en}
}
@phdthesis{Lehmann2016,
  author    = {Lehmann, Jascha In-su},
  title     = {Changes in extratropical storm track activity and their implications for extreme weather events},
  pages     = {221},
  year      = {2016},
  language  = {en}
}
@phdthesis{Bittermann2015,
  author    = {Bittermann, Klaus},
  title     = {Semi-empirical sea-level modelling},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-93881},
  school      = {Universit{\"a}t Potsdam},
  pages     = {v, 88},
  year      = {2015},
  abstract  = {Semi-empirical sea-level models (SEMs) exploit physically motivated empirical relationships between global sea level and certain drivers, in the following global mean temperature. This model class evolved as a supplement to process-based models (Rahmstorf (2007)) which were unable to fully represent all relevant processes. They thus failed to capture past sea-level change (Rahmstorf et al. (2012)) and were thought likely to underestimate future sea-level rise. Semi-empirical models were found to be a fast and useful tool for exploring the uncertainties in future sea-level rise, consistently giving significantly higher projections than process-based models. In the following different aspects of semi-empirical sea-level modelling have been studied. Models were first validated using various data sets of global sea level and temperature. SEMs were then used on the glacier contribution to sea level, and to infer past global temperature from sea-level data via inverse modelling. Periods studied encompass the instrumental period, covered by tide gauges (starting 1700 CE (Common Era) in Amsterdam) and satellites (first launched in 1992 CE), the era from 1000 BCE (before CE) to present, and the full length of the Holocene (using proxy data). Accordingly different data, model formulations and implementations have been used. It could be shown in Bittermann et al. (2013) that SEMs correctly predict 20th century sea-level when calibrated with data until 1900 CE. SEMs also turned out to give better predictions than the Intergovernmental Panel on Climate Change (IPCC) 4th assessment report (AR4, IPCC (2007)) models, for the period from 1961-2003 CE. With the first multi-proxy reconstruction of global sea-level as input, estimate of the human-induced component of modern sea-level change and projections of future sea-level rise were calculated (Kopp et al. (2016)). It turned out with 90\% confidence that more than 40 \% of the observed 20th century sea-level rise is indeed anthropogenic. With the new semi-empirical and IPCC (2013) 5th assessment report (AR5) projections the gap between SEM and process-based model projections closes, giving higher credibility to both. Combining all scenarios, from strong mitigation to business as usual, a global sea-level rise of 28-131 cm relative to 2000 CE, is projected with 90\% confidence. The decision for a low carbon pathway could halve the expected global sea-level rise by 2100 CE. Present day temperature and thus sea level are driven by the globally acting greenhouse-gas forcing. Unlike that, the Milankovich forcing, acting on Holocene timescales, results mainly in a northern-hemisphere temperature change. Therefore a semi-empirical model can be driven with northernhemisphere temperatures, which makes it possible to model the main subcomponent of sea-level change over this period. It showed that an additional positive constant rate of the order of the estimated Antarctic sea-level contribution is then required to explain the sea-level evolution over the Holocene. Thus the global sea level, following the climatic optimum, can be interpreted as the sum of a temperature induced sea-level drop and a positive long-term contribution, likely an ongoing response to deglaciation coming from Antarctica.},
  language  = {en}
}
@article{GhoshCherstvyPetrovetal.2016,
  author    = {Ghosh, Surya K. and Cherstvy, Andrey G. and Petrov, Eugene P. and Metzler, Ralf},
  title     = {Interactions of rod-like particles on responsive elastic sheets},
  series = {Soft matter},
  journal   = {Soft matter},
  publisher = {RSC},
  address   = {London},
  issn      = {1744-6848},
  doi       = {10.1039/C6SM01522K},
  year      = {2016},
  abstract  = {What are the physical laws of the mutual interactions of objects bound to cell membranes, such as various membrane proteins or elongated virus particles? To rationalise this, we here investigate by extensive computer simulations mutual interactions of rod-like particles adsorbed on the surface of responsive elastic two-dimensional sheets. Specifically, we quantify sheet deformations as a response to adhesion of such filamentous particles. We demonstrate that tip-to-tip contacts of rods are favoured for relatively soft sheets, while side-by-side contacts are preferred for stiffer elastic substrates. These attractive orientation-dependent substrate-mediated interactions between the rod-like particles on responsive sheets can drive their aggregation and self-assembly. The optimal orientation of the membrane-bound rods is established via responding to the elastic energy profiles created around the particles. We unveil the phase diagramme of attractive-repulsive rod-rod interactions in the plane of their separation and mutual orientation. Applications of our results to other systems featuring membrane-associated particles are also discussed.},
  language  = {en}
}
@misc{GhoshCherstvyPetrovetal.2016,
  author    = {Ghosh, Surya K. and Cherstvy, Andrey G. and Petrov, Eugene P. and Metzler, Ralf},
  title     = {Interactions of rod-like particles on responsive elastic sheets},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-95882},
  year      = {2016},
  abstract  = {What are the physical laws of the mutual interactions of objects bound to cell membranes, such as various membrane proteins or elongated virus particles? To rationalise this, we here investigate by extensive computer simulations mutual interactions of rod-like particles adsorbed on the surface of responsive elastic two-dimensional sheets. Specifically, we quantify sheet deformations as a response to adhesion of such filamentous particles. We demonstrate that tip-to-tip contacts of rods are favoured for relatively soft sheets, while side-by-side contacts are preferred for stiffer elastic substrates. These attractive orientation-dependent substrate-mediated interactions between the rod-like particles on responsive sheets can drive their aggregation and self-assembly. The optimal orientation of the membrane-bound rods is established via responding to the elastic energy profiles created around the particles. We unveil the phase diagramme of attractive-repulsive rod-rod interactions in the plane of their separation and mutual orientation. Applications of our results to other systems featuring membrane-associated particles are also discussed.},
  language  = {en}
}
@phdthesis{Shenar2017,
  author    = {Shenar, Tomer},
  title     = {Comprehensive analyses of massive binaries and implications on stellar evolution},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-104857},
  school      = {Universit{\"a}t Potsdam},
  pages     = {187},
  year      = {2017},
  abstract  = {Via their powerful radiation, stellar winds, and supernova explosions, massive stars (Mini \& 8 M☉) bear a tremendous impact on galactic evolution. It became clear in recent decades that the majority of massive stars reside in binary systems. This thesis sets as a goal to quantify the impact of binarity (i.e., the presence of a companion star) on massive stars. For this purpose, massive binary systems in the Local Group, including OB-type binaries, high mass X-ray binaries (HMXBs), and Wolf-Rayet (WR) binaries, were investigated by means of spectral, orbital, and evolutionary analyses. The spectral analyses were performed with the non-local thermodynamic equillibrium (non-LTE) Potsdam Wolf-Rayet (PoWR) model atmosphere code. Thanks to critical updates in the calculation of the hydrostatic layers, the code became a state-of-the-art tool applicable for all types of hot massive stars (Chapter 2). The eclipsing OB-type triple system δ Ori served as an intriguing test-case for the new version of the PoWR code, and provided key insights regarding the formation of X-rays in massive stars (Chapter 3). We further analyzed two prototypical HMXBs, Vela X-1 and IGR J17544-2619, and obtained fundamental conclusions regarding the dichotomy of two basic classes of HMXBs (Chapter 4). We performed an exhaustive analysis of the binary R 145 in the Large Magellanic Cloud (LMC), which was claimed to host the most massive stars known. We were able to disentangle the spectrum of the system, and performed an orbital, polarimetric, and spectral analysis, as well as an analysis of the wind-wind collision region. The true masses of the binary components turned out to be significantly lower than suggested, impacting our understanding of the initial mass function and stellar evolution at low metallicity (Chapter 5). Finally, all known WR binaries in the Small Magellanic Cloud (SMC) were analyzed. Although it was theoretical predicted that virtually all WR stars in the SMC should be formed via mass-transfer in binaries, we find that binarity was not important for the formation of the known WR stars in the SMC, implying a strong discrepancy between theory and observations (Chapter 6).},
  language  = {en}
}
@misc{Goychuk2016,
  author    = {Goychuk, Igor},
  title     = {Quantum ergodicity breaking in semi-classical electron transfer dynamics},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-102264},
  pages     = {11},
  year      = {2016},
  abstract  = {Can the statistical properties of single-electron transfer events be correctly predicted within a common equilibrium ensemble description? This fundamental in nanoworld question of ergodic behavior is scrutinized within a very basic semi-classical curve-crossing problem. It is shown that in the limit of non-adiabatic electron transfer (weak tunneling) well-described by the Marcus-Levich-Dogonadze(MLD) rate the answer is yes. However, in the limit of the so-called solvent-controlled adiabatic electron transfer, a profound breaking of ergodicity occurs. Namely, a common description based on the ensemble reduced density matrix with an initial equilibrium distribution of the reaction coordinate is not able to reproduce the statistics of single-trajectory events in this seemingly classical regime. For sufficiently large activation barriers, the ensemble survival probability in a state remains nearly exponential with the inverse rate given by the sum of the adiabatic curve crossing (Kramers) time and the inverse MLD rate. In contrast, near to the adiabatic regime, the single-electron survival probability is clearly non-exponential, even though it possesses an exponential tail which agrees well with the ensemble description. Initially, it is well described by a Mittag-Leffler distribution with a fractional rate. Paradoxically, the mean transfer time in this classical on the ensemble level regime is well described by the inverse of the nonadiabatic quantum tunneling rate on a single particle level. An analytical theory is developed which perfectly agrees with stochastic simulations and explains our findings.},
  language  = {en}
}
@phdthesis{Anielski2015,
  author    = {Anielski, Alexander},
  title     = {Entwicklung einer mikrofluidischen, adaptiv geregelten Messapparatur zur quantitativen Untersuchung von Chemotaxis mit Hilfe der Flussfotolyse},
  school      = {Universit{\"a}t Potsdam},
  pages     = {iv, 130 Seiten : Illustrationen, Diagramme + 1 DVD},
  year      = {2015},
  language  = {de}
}
@phdthesis{Kruesemann2016,
  author    = {Kr{\"u}semann, Henning},
  title     = {First passage phenomena and single-file motion in ageing continuous time random walks and quenched energy landscapes},
  school      = {Universit{\"a}t Potsdam},
  pages     = {122},
  year      = {2016},
  abstract  = {In der Physik gibt es viele Prozesse, die auf Grund ihrer Komplexit{\"a}t nicht durch physikalische Gleichungen beschrieben werden k{\"o}nnen, beispielsweise die Bewegung eines Staubkorns in der Luft. Durch die vielen St{\"o}ße mit Luftmolek{\"u}len f{\"u}hrt es eine Zufallsbewegung aus, die so genannte Diffusion. Auch Molek{\"u}le in biologischen Zellen diffundieren, jedoch befinden sich in einer solchen Zelle im selben Volumen viel mehr oder viel gr{\"o}ßere Molek{\"u}le. Das beobachtete Teilchen st{\"o}ßt dementsprechend {\"o}fter mit anderen zusammen und die Diffusion wird langsamer, sie wird subdiffusiv. Mit der Zeit kann sich die Charakteristik der Subdiffusion {\"a}ndern; dies wird als (mikroskopisches) Altern bezeichnet. Ich untersuche in der vorliegenden Arbeit zwei mathematische Modelle f{\"u}r eindimensionale Subdiffusion, einmal den continuous time random walk (CTRW) und einmal die Zufallsbewegung in einer eingefrorenen Energielandschaft (QEL=quenched energy landscape). Beide sind Sprungprozesse, das heißt, sie sind Abfolgen von r{\"a}umlichen Spr{\"u}ngen, die durch zufallsverteilte Wartezeiten getrennt sind. Die Wartezeiten in der QEL sind r{\"a}umlich korrelliert, w{\"a}hrend sie im CTRW unkorrelliert sind. Ich untersuche in der vorliegenden Arbeit verschiedene statistische Gr{\"o}ßen in beiden Modellen. Zun{\"a}chst untersuche ich den Einfluss des Alters und den Einfluss der Korrellationen einer QEL auf die Verteilung der Zeiten, die das diffundierendes Teilchen ben{\"o}tigt, um eine (r{\"a}umliche) Schwelle zu {\"u}berqueren. Ausserdem bestimme ich den Effekt des Alters auf Str{\"o}me von (sub)diffundierenden Partikeln, die sich auf eine absorbierende Barriere zubewegen. Zuletzt besch{\"a}ftige ich mich mit der Diffusion einer eindimensionalen Anordnung von Teilchen in einer QEL, in der diese als harte Kugeln miteinander wechselwirken. Dabei vergleiche ich die gemeinsame Bewegung in einer QEL und als individuelle CTRWs miteinander {\"u}ber die Standartabweichung von der Startposition, f{\"u}r die ich das Mittel {\"u}ber mehrere QELs untersuche. Meine Arbeit setzt sich zusammen aus theoretischen {\"U}berlegungen und Berechnungen sowie der Simulation der Zufallsprozesse. Die Ergebnisse der Simulation und, soweit vorhanden, experimentelle Daten werden mit der Theorie verglichen.},
  language  = {en}
}
@article{deCarvalhoMetzlerCherstvy2016,
  author    = {de Carvalho, Sidney J. and Metzler, Ralf and Cherstvy, Andrey G.},
  title     = {Critical adsorption of polyelectrolytes onto planar and convex highly charged surfaces},
  series = {New journal of physics : the open-access journal for physics},
  volume    = {18},
  journal   = {New journal of physics : the open-access journal for physics},
  publisher = {IOP Publ.},
  address   = {London},
  issn      = {1367-2630},
  doi       = {10.1088/1367-2630/18/8/083037},
  year      = {2016},
  abstract  = {We study the adsorption-desorption transition of polyelectrolyte chains onto planar, cylindrical and spherical surfaces with arbitrarily high surface charge densities by massive Monte Carlo computer simulations. We examine in detail how the well known scaling relations for the threshold transition—demarcating the adsorbed and desorbed domains of a polyelectrolyte near weakly charged surfaces—are altered for highly charged interfaces. In virtue of high surface potentials and large surface charge densities, the Debye-H{\"u}ckel approximation is often not feasible and the nonlinear Poisson-Boltzmann approach should be implemented. At low salt conditions, for instance, the electrostatic potential from the nonlinear Poisson-Boltzmann equation is smaller than the Debye-H{\"u}ckel result, such that the required critical surface charge density for polyelectrolyte adsorption σc increases. The nonlinear relation between the surface charge density and electrostatic potential leads to a sharply increasing critical surface charge density with growing ionic strength, imposing an additional limit to the critical salt concentration above which no polyelectrolyte adsorption occurs at all. We contrast our simulations findings with the known scaling results for weak critical polyelectrolyte adsorption onto oppositely charged surfaces for the three standard geometries. Finally, we discuss some applications of our results for some physical-chemical and biophysical systems.},
  language  = {en}
}