@article{BelliFelisattiFischer2021, author = {Belli, Francesco and Felisatti, Arianna and Fischer, Martin H.}, title = {"BreaThink"}, series = {Experimental brain research}, volume = {239}, journal = {Experimental brain research}, number = {8}, publisher = {Springer}, address = {New York}, issn = {0014-4819}, doi = {10.1007/s00221-021-06147-z}, pages = {2489 -- 2499}, year = {2021}, abstract = {Cognition is shaped by signals from outside and within the body. Following recent evidence of interoceptive signals modulating higher-level cognition, we examined whether breathing changes the production and perception of quantities. In Experiment 1, 22 adults verbally produced on average larger random numbers after inhaling than after exhaling. In Experiment 2, 24 further adults estimated the numerosity of dot patterns that were briefly shown after either inhaling or exhaling. Again, we obtained on average larger responses following inhalation than exhalation. These converging results extend models of situated cognition according to which higher-level cognition is sensitive to transient interoceptive states.}, language = {en} } @article{HarmanliTarakinaAntoniettietal.2021, author = {Harmanli, İpek and Tarakina, Nadezda and Antonietti, Markus and Oschatz, Martin}, title = {"Giant" nitrogen uptake in ionic liquids confined in carbon pores}, series = {Journal of the American Chemical Society}, volume = {143}, journal = {Journal of the American Chemical Society}, number = {25}, publisher = {American Chemical Society}, address = {Washington}, issn = {0002-7863}, doi = {10.1021/jacs.1c00783}, pages = {9377 -- 9384}, year = {2021}, abstract = {Ionic liquids are well known for their high gas absorption capacity. It is shown that this is not a solvent constant, but can be enhanced by another factor of 10 by pore confinement, here of the ionic liquid (IL) 1-ethyl-3-methylimidazolium acetate (EmimOAc) in the pores of carbon materials. A matrix of four different carbon compounds with micro- and mesopores as well as with and without nitrogen doping is utilized to investigate the influence of the carbons structure on the nitrogen uptake in the pore-confined EmimOAc. In general, the absorption is most improved for IL in micropores and in nitrogen-doped carbon. This effect is so large that it is already seen in TGA and DSC experiments. Due to the low vapor pressure of the IL, standard volumetric sorption experiments can be used to quantify details of this effect. It is reasoned that it is the change of the molecular arrangement of the ions in the restricted space of the pores that creates additional free volume to host molecular nitrogen.}, language = {en} } @article{SinhaSaalfrank2021, author = {Sinha, Shreya and Saalfrank, Peter}, title = {"Inverted" CO molecules on NaCl(100)}, series = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, volume = {23}, journal = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, number = {13}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1463-9076}, doi = {10.1039/d0cp05198e}, pages = {7860 -- 7874}, year = {2021}, abstract = {Somewhat surprisingly, inverted ("O-down") CO adsorbates on NaCl(100) were recently observed experimentally after infrared vibrational excitation (Lau et al., Science, 2020, 367, 175-178). Here we characterize these species using periodic density functional theory and a quantum mechanical description of vibrations. We determine stationary points and minimum energy paths for CO inversion, for low (1/8 and 1/4 monolayers (ML)) and high (1 ML) coverages. Transition state theory is applied to estimate thermal rates for "C-down" to "O-down" isomerization and the reverse process. For the 1/4 ML p(1 x 1) structure, two-dimensional and three-dimensional potential energy surfaces and corresponding anharmonic vibrational eigenstates obtained from the time-independent nuclear Schrodinger equation are presented. We find (i) rather coverage-independent CO inversion energies (of about 0.08 eV or 8 kJ mol(-1) per CO) and corresponding classical activation energies for "C-down" to "O-down" isomerization (of about 0.15 eV or 14 kJ mol(-1) per CO); (ii) thermal isomerization rates at 22 K which are vanishingly small for the "C-down" to "O-down" isomerization but non-negligible for the back reaction; (iii) several "accidentally degenerate" pairs of eigenstates well below the barrier, each pair describing "C-down" to "O-down" localized states.}, language = {en} } @article{JuangSchwarzenthalMoffittetal.2021, author = {Juang, Linda P. and Schwarzenthal, Miriam and Moffitt, Ursula Elinor and Vietze, Jana}, title = {"No, where are you really from?"}, series = {Zeitschrift f{\"u}r Entwicklungspsychologie und p{\"a}dagogische Psychologie : Organ der Fachgruppen Entwicklungspsychologie und P{\"a}dagogische Psychologie der Deutschen Gesellschaft f{\"u}r Psychologie (DGPs)}, volume = {53}, journal = {Zeitschrift f{\"u}r Entwicklungspsychologie und p{\"a}dagogische Psychologie : Organ der Fachgruppen Entwicklungspsychologie und P{\"a}dagogische Psychologie der Deutschen Gesellschaft f{\"u}r Psychologie (DGPs)}, number = {3-4}, publisher = {Hogrefe}, address = {G{\"o}ttingen}, issn = {0049-8637}, doi = {10.1026/0049-8637/a000242}, pages = {82 -- 93}, year = {2021}, abstract = {Being perceived as a foreigner regardless of one's generational status, citizenship, or self-identification is called foreigner objectification. This is a form of identity denial and is linked to psychological distress. To test how foreigner objectification could be measured in Europe, we assessed whether the Foreigner Objectification Scale demonstrated reliability and validity with German adolescents. The sample included 806 9th graders from 17 high schools. The results showed that the scale demonstrates good reliability, scalar measurement invariance across gender and citizenship status, and partial scalar measurement invariance across family heritage, generational status, and cultural self-identification. Adolescents who scored higher on the scale also reported greater school behavioral disengagement, lower life satisfaction, and stronger ethnic identity. Our findings suggest that the scale is psychometrically sound and is linked in theoretically consistent ways to adjustment and ethnic identity. We conclude that this scale offers another way to capture subtle discrimination experiences that add to a more comprehensive understanding of discrimination and the related implications in Europe.}, language = {en} } @article{ZhangCasertaYarmanetal.2021, author = {Zhang, Xiaorong and Caserta, Giorgio and Yarman, Aysu and Supala, Eszter and Tadjoung Waffo, Armel Franklin and Wollenberger, Ulla and Gyurcsanyi, Robert E. and Zebger, Ingo and Scheller, Frieder W.}, title = {"Out of Pocket" protein binding}, series = {Chemosensors}, volume = {9}, journal = {Chemosensors}, number = {6}, publisher = {MDPI}, address = {Basel}, issn = {2227-9040}, doi = {10.3390/chemosensors9060128}, pages = {13}, year = {2021}, abstract = {The epitope imprinting approach applies exposed peptides as templates to synthesize Molecularly Imprinted Polymers (MIPs) for the recognition of the parent protein. While generally the template protein binding to such MIPs is considered to occur via the epitope-shaped cavities, unspecific interactions of the analyte with non-imprinted polymer as well as the detection method used may add to the complexity and interpretation of the target rebinding. To get new insights on the effects governing the rebinding of analytes, we electrosynthesized two epitope-imprinted polymers using the N-terminal pentapeptide VHLTP-amide of human hemoglobin (HbA) as the template. MIPs were prepared either by single-step electrosynthesis of scopoletin/pentapeptide mixtures or electropolymerization was performed after chemisorption of the cysteine extended VHLTP peptide. Rebinding of the target peptide and the parent HbA protein to the MIP nanofilms was quantified by square wave voltammetry using a redox probe gating, surface enhanced infrared absorption spectroscopy, and atomic force microscopy. While binding of the pentapeptide shows large influence of the amino acid sequence, all three methods revealed strong non-specific binding of HbA to both polyscopoletin-based MIPs with even higher affinities than the target peptides.}, language = {en} } @article{Haenel2021, author = {H{\"a}nel, Hilkje Charlotte}, title = {\#MeToo and testimonial injustice}, series = {Philosophy and Social Criticism}, volume = {48}, journal = {Philosophy and Social Criticism}, number = {6}, publisher = {Sage Publ.}, address = {London}, issn = {0191-4537}, doi = {10.1177/01914537211017578}, pages = {833 -- 859}, year = {2021}, abstract = {Two decades ago, Tarana Burke started using the phrase 'me too' to release victims of sexual abuse and rape from their shame and to empower girls from minority communities. In 2017, actress Alyssa Milano made the hashtag \#MeToo go viral. This article's concern is with the role of testimonial practices in the context of sexual violence. While many feminists have claimed that the word of those who claim to being sexually violated by others (should) have political and/or epistemic priority, others have failed to recognize the harm and injury of instances of sexual violence that are not yet acknowledged as such and failed to listen to victims from marginalized social groups. In fact, some feminists have attacked \#MeToo for mingling accounts of 'proper' sexual violence and accounts that are not 'proper' experiences of sexual violence. My aim in this article is to show why this critique is problematic and find a philosophically fruitful way to understand the \#MeToo-movement as a movement that strives for moral and conceptual progress.}, language = {en} } @article{Brechenmacher2021, author = {Brechenmacher, Thomas}, title = {1961: Die Kirchen zum Eichmann-Prozeß}, series = {Mitteilungen zur kirchlichen Zeitgeschichte}, volume = {15}, journal = {Mitteilungen zur kirchlichen Zeitgeschichte}, publisher = {Evangelische Arbeitsgemeinschaft f{\"u}r Kirchliche Zeitgeschichte}, address = {M{\"u}nchen}, issn = {2699-3074}, pages = {75 -- 96}, year = {2021}, language = {de} } @article{KoyanTronickeAllroggen2021, author = {Koyan, Philipp and Tronicke, Jens and Allroggen, Niklas}, title = {3D ground-penetrating radar attributes to generate classified facies models}, series = {Geophysics}, volume = {86}, journal = {Geophysics}, number = {6}, publisher = {Society of Exploration Geophysicists}, address = {Tulsa}, issn = {0016-8033}, doi = {10.1190/GEO2021-0204.1}, pages = {B335 -- B347}, year = {2021}, abstract = {Ground-penetrating radar (GPR) is a standard geophysical technique used to image near-surface structures in sedimentary environments. In such environments, GPR data acquisition and processing are increasingly following 3D strategies. However, the processed GPR data volumes are typically still interpreted using selected 2D slices and manual concepts such as GPR facies analyses. In seismic volume interpretation, the application of (semi-)automated and reproducible approaches such as 3D attribute analyses as well as the production of attribute-based facies models are common practices today. In contrast, the field of 3D GPR attribute analyses and corresponding facies models is largely untapped. We have developed and applied a workflow to produce 3D attribute-based GPR facies models comprising the dominant sedimentary reflection patterns in a GPR volume, which images complex sandy structures on the dune island of Spiekeroog (Northern Germany). After presenting our field site and details regarding our data acquisition and processing, we calculate and filter 3D texture attributes to generate a database comprising the dominant texture features of our GPR data. Then, we perform a dimensionality reduction of this database to obtain meta texture attributes, which we analyze and integrate using composite imaging and (also considering additional geometric information) fuzzy c-means cluster analysis resulting in a classified GPR facies model. Considering our facies model and a corresponding GPR facies chart, we interpret our GPR data set in terms of near-surface sedimentary units, the corresponding depositional environments, and the recent formation history at our field site. Thus, we demonstrate the potential of our workflow, which represents a novel and clear strategy to perform a more objective and consistent interpretation of 3D GPR data collected across different sedimentary environments.}, language = {en} } @article{Gerhard2021, author = {Gerhard, Reimund}, title = {50 years of International Symposia on Electrets from 1967 to 2017}, series = {IEEE electrical insulation magazine / Institute of Electrical and Electronics Engineers}, volume = {37}, journal = {IEEE electrical insulation magazine / Institute of Electrical and Electronics Engineers}, number = {2}, publisher = {IEEE}, address = {New York, NY}, issn = {0883-7554}, doi = {10.1109/MEI.2021.9352710}, pages = {50 -- 55}, year = {2021}, abstract = {The prehistory of electrets is not known yet, but it is quite likely that the electrostatic charging behavior of amber (Greek: τ{\`o} ηλεκτρoν, i.e., "electron") already was familiar to people in ancient cultures (China, Egypt, Greece, etc.), before the Greek philosopher and scientist Thales of Miletus (6th century BCE)-or rather his disciples and followers-reported it in writing (cf. Figure 1). More than two millennia later, William Gilbert (1544-1603), the physician of Queen Elizabeth I, coined the term "electric" in his book De Magnete, Magneticisque Corporibus, et de Magno Magnete Tellure (1600) for dielectric materials that attract like amber and that included sulfur and glass [1]. The second half of the 18th century saw the invention of the electrophorus or electrophore [2], a capacitive electret device, in 1762 by Johan Carl Wilcke (1732-1796).}, language = {en} } @article{ZimmermannHerrmann2021, author = {Zimmermann, Andreas and Herrmann, Franziska}, title = {70 Jahre Genfer Fl{\"u}chtlingskonvention}, series = {Informationsbrief Ausl{\"a}nderrecht}, journal = {Informationsbrief Ausl{\"a}nderrecht}, number = {6}, publisher = {Luchterhand}, address = {K{\"o}ln ; Neuwied}, issn = {0174-2108}, pages = {221 -- 227}, year = {2021}, language = {de} } @article{SperlichKoeckerling2021, author = {Sperlich, Eric and K{\"o}ckerling, Martin}, title = {[Nb6Cl12(CH3OH)4(OCH3)2] ⋅ DABCO ⋅ 1.66 CH2Cl2}, series = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie : ZAAC = Journal of inorganic and general chemistry}, volume = {647}, journal = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie : ZAAC = Journal of inorganic and general chemistry}, number = {18}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0044-2313}, doi = {10.1002/zaac.202100138}, pages = {1759 -- 1763}, year = {2021}, abstract = {An easy-to-do synthesis for the hexanuclear niobium cluster compound [Nb6Cl12(CH3OH)(4)(OCH3)(2)] . DABCO . 1.66 CH2Cl2 has been developed. An one-pot reaction between the cluster precursor [Nb6Cl14(H2O)(4)] . 4H(2)O and methanol with the addition of DABCO leads to the crystallization of the title compound in high yield within a few minutes. The single-crystal X-ray structure of this cluster compound has been determined. Very strong, nearly symmetric intercluster hydrogen bonds Nb-6-MeO...H...OMe-Nb-6 are present between the cluster units. A bridging co-crystalline DABCO molecule is also involved in a three-dimensional hydrogen-bonding network.}, language = {en} } @article{RabeChandraKruegeletal.2021, author = {Rabe, Maximilian Michael and Chandra, Johan and Kr{\"u}gel, Andr{\´e} and Seelig, Stefan A. and Vasishth, Shravan and Engbert, Ralf}, title = {A bayesian approach to dynamical modeling of eye-movement control in reading of normal, mirrored, and scrambled texts}, series = {Psychological Review}, volume = {128}, journal = {Psychological Review}, number = {5}, publisher = {American Psychological Association}, address = {Washington}, issn = {0033-295X}, doi = {10.1037/rev0000268}, pages = {803 -- 823}, year = {2021}, abstract = {In eye-movement control during reading, advanced process-oriented models have been developed to reproduce behavioral data. So far, model complexity and large numbers of model parameters prevented rigorous statistical inference and modeling of interindividual differences. Here we propose a Bayesian approach to both problems for one representative computational model of sentence reading (SWIFT; Engbert et al., Psychological Review, 112, 2005, pp. 777-813). We used experimental data from 36 subjects who read the text in a normal and one of four manipulated text layouts (e.g., mirrored and scrambled letters). The SWIFT model was fitted to subjects and experimental conditions individually to investigate between- subject variability. Based on posterior distributions of model parameters, fixation probabilities and durations are reliably recovered from simulated data and reproduced for withheld empirical data, at both the experimental condition and subject levels. A subsequent statistical analysis of model parameters across reading conditions generates model-driven explanations for observable effects between conditions.}, language = {en} } @article{MacdonaldOteroButler2021, author = {Macdonald, Elena and Otero, Noelia and Butler, Tim}, title = {A comparison of long-term trends in observations and emission inventories of NOx}, series = {Atmospheric chemistry and physics / European Geosciences Union}, volume = {21}, journal = {Atmospheric chemistry and physics / European Geosciences Union}, number = {5}, publisher = {Copernicus}, address = {G{\"o}ttingen}, issn = {1680-7316}, doi = {10.5194/acp-21-4007-2021}, pages = {4007 -- 4023}, year = {2021}, abstract = {Air pollution is a pressing issue that is associated with adverse effects on human health, ecosystems, and climate. Despite many years of effort to improve air quality, nitrogen dioxide (NO2) limit values are still regularly exceeded in Europe, particularly in cities and along streets. This study explores how concentrations of nitrogen oxides (NOx = NO + NO2) in European urban areas have changed over the last decades and how this relates to changes in emissions. To do so, the incremental approach was used, comparing urban increments (i.e. urban background minus rural concentrations) to total emissions, and roadside increments (i.e. urban roadside concentrations minus urban background concentrations) to traffic emissions. In total, nine European cities were assessed. The study revealed that potentially confounding factors like the impact of urban pollution at rural monitoring sites through atmospheric transport are generally negligible for NOx. The approach proves therefore particularly useful for this pollutant. The estimated urban increments all showed downward trends, and for the majority of the cities the trends aligned well with the total emissions. However, it was found that factors like a very densely populated surrounding or local emission sources in the rural area such as shipping traffic on inland waterways restrict the application of the approach for some cities. The roadside increments showed an overall very diverse picture in their absolute values and trends and also in their relation to traffic emissions. This variability and the discrepancies between roadside increments and emissions could be attributed to a combination of local influencing factors at the street level and different aspects introducing inaccuracies to the trends of the emis-sion inventories used, including deficient emission factors. Applying the incremental approach was evaluated as useful for long-term pan-European studies, but at the same time it was found to be restricted to certain regions and cities due to data availability issues. The results also highlight that using emission inventories for the prediction of future health impacts and compliance with limit values needs to consider the distinct variability in the concentrations not only across but also within cities.}, language = {en} } @article{WolffGastEversetal.2021, author = {Wolff, Martin and Gast, Klaus and Evers, Andreas and Kurz, Michael and Pfeiffer-Marek, Stefania and Sch{\"u}ler, Anja and Seckler, Robert and Thalhammer, Anja}, title = {A Conserved Hydrophobic Moiety and Helix-Helix Interactions Drive the Self-Assembly of the Incretin Analog Exendin-4}, series = {Biomolecules}, volume = {11}, journal = {Biomolecules}, number = {9}, publisher = {MDPI}, address = {Basel}, issn = {2218-273X}, doi = {10.3390/biom11091305}, pages = {20}, year = {2021}, abstract = {Exendin-4 is a pharmaceutical peptide used in the control of insulin secretion. Structural information on exendin-4 and related peptides especially on the level of quaternary structure is scarce. We present the first published association equilibria of exendin-4 directly measured by static and dynamic light scattering. We show that exendin-4 oligomerization is pH dependent and that these oligomers are of low compactness. We relate our experimental results to a structural hypothesis to describe molecular details of exendin-4 oligomers. Discussion of the validity of this hypothesis is based on NMR, circular dichroism and fluorescence spectroscopy, and light scattering data on exendin-4 and a set of exendin-4 derived peptides. The essential forces driving oligomerization of exendin-4 are helix-helix interactions and interactions of a conserved hydrophobic moiety. Our structural hypothesis suggests that key interactions of exendin-4 monomers in the experimentally supported trimer take place between a defined helical segment and a hydrophobic triangle constituted by the Phe22 residues of the three monomeric subunits. Our data rationalize that Val19 might function as an anchor in the N-terminus of the interacting helix-region and that Trp25 is partially shielded in the oligomer by C-terminal amino acids of the same monomer. Our structural hypothesis suggests that the Trp25 residues do not interact with each other, but with C-terminal Pro residues of their own monomers.}, language = {en} } @article{CvetkovićConradLie2021, author = {Cvetković, Nada and Conrad, Tim and Lie, Han Cheng}, title = {A convergent discretization method for transition path theory for diffusion processes}, series = {Multiscale modeling \& simulation : a SIAM interdisciplinary journal}, volume = {19}, journal = {Multiscale modeling \& simulation : a SIAM interdisciplinary journal}, number = {1}, publisher = {Society for Industrial and Applied Mathematics}, address = {Philadelphia}, issn = {1540-3459}, doi = {10.1137/20M1329354}, pages = {242 -- 266}, year = {2021}, abstract = {Transition path theory (TPT) for diffusion processes is a framework for analyzing the transitions of multiscale ergodic diffusion processes between disjoint metastable subsets of state space. Most methods for applying TPT involve the construction of a Markov state model on a discretization of state space that approximates the underlying diffusion process. However, the assumption of Markovianity is difficult to verify in practice, and there are to date no known error bounds or convergence results for these methods. We propose a Monte Carlo method for approximating the forward committor, probability current, and streamlines from TPT for diffusion processes. Our method uses only sample trajectory data and partitions of state space based on Voronoi tessellations. It does not require the construction of a Markovian approximating process. We rigorously prove error bounds for the approximate TPT objects and use these bounds to show convergence to their exact counterparts in the limit of arbitrarily fine discretization. We illustrate some features of our method by application to a process that solves the Smoluchowski equation on a triple-well potential.}, language = {en} } @article{BuyinzaDereseNdakalaetal.2021, author = {Buyinza, Daniel and Derese, Solomon and Ndakala, Albert and Heydenreich, Matthias and Yenesew, Abiy and Koch, Andreas and Oriko, Richard}, title = {A coumestan and a coumaronochromone from Millettia lasiantha}, series = {Biochemical systematics and ecology}, volume = {97}, journal = {Biochemical systematics and ecology}, publisher = {Elsevier}, address = {Oxford}, issn = {0305-1978}, doi = {10.1016/j.bse.2021.104277}, pages = {5}, year = {2021}, abstract = {The manuscript describes the phytochemical investigation of the roots, leaves and stem bark of Millettia lasiantha resulting in the isolation of twelve compounds including two new isomeric isoflavones lascoumestan and las-coumaronochromone. The structures of the new compounds were determined using different spectroscopic techniques.}, language = {en} } @article{Trindade2021, author = {Trindade, In{\^e}s}, title = {A drop of immunity}, series = {Molecular plant}, volume = {14}, journal = {Molecular plant}, number = {9}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {1674-2052}, doi = {10.1016/j.molp.2021.07.022}, pages = {1437 -- 1438}, year = {2021}, language = {en} } @article{Ette2021, author = {Ette, Ottmar}, title = {A expuls{\~a}o do {\´E}den}, series = {Literatura e autoritarismo}, journal = {Literatura e autoritarismo}, number = {25}, publisher = {Universidade Federal de Santa Maria (UFSM)}, address = {Santa Maria}, issn = {1679-849X}, doi = {10.5902/1679849X65745}, pages = {5 -- 42}, year = {2021}, abstract = {A tem{\´a}tica da migra{\c{c}}{\~a}o est{\´a} intimamente vinculada {\`a} hist{\´o}ria humana, desde a narrativa b{\´i}blica da expuls{\~a}o do para{\´i}so. O ser humano n{\~a}o apenas empregou t{\´e}cnicas cada vez mais sofisticadas para a viol{\^e}ncia, como tamb{\´e}m transmitiu, atrav{\´e}s dos s{\´e}culos, t{\´e}cnicas de conserva{\c{c}}{\~a}o e uso de seu saberconviver. Nesse sentido m{\´o}vel da hist{\´o}ria, e em conson{\^a}ncia com as literaturas do mundo, a partir de suas diversas origens, {\´e} poss{\´i}vel dizer que existe um "Homo migrans" desde que existe o "Homo sapiens". Assim, {\´e} poss{\´i}vel afirmar que as ideias territoriais ou territorializantes com proveni{\^e}ncia hist{\´o}rico-espacial permitem, vez ou outra, reconhecer seus esfor{\c{c}}os para filtrar e isolar a dimens{\~a}o hist{\´o}rico-m{\´o}vel e vetorial da hist{\´o}ria como narrativa, para tentar construir, com a ajuda de ideias est{\´a}ticas, novos lugares da promessa ou da perda, da abund{\^a}ncia ou da queda.}, language = {pt} } @article{ThomasPfrommerPakmor2021, author = {Thomas, Timon and Pfrommer, Christoph and Pakmor, R{\"u}diger}, title = {A finite volume method for two-moment cosmic ray hydrodynamics on a moving mesh}, series = {Monthly notices of the Royal Astronomical Society}, volume = {503}, journal = {Monthly notices of the Royal Astronomical Society}, number = {2}, publisher = {Oxford University Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stab397}, pages = {2242 -- 2264}, year = {2021}, abstract = {We present a new numerical algorithm to solve the recently derived equations of two-moment cosmic ray hydrodynamics (CRHD). The algorithm is implemented as a module in the moving mesh AREPO code. Therein, the anisotropic transport of cosmic rays (CRs) along magnetic field lines is discretized using a path-conservative finite volume method on the unstructured time-dependent Voronoi mesh of AREPO. The interaction of CRs and gyroresonant Alfven waves is described by short time-scale source terms in the CRHD equations. We employ a custom-made semi-implicit adaptive time stepping source term integrator to accurately integrate this interaction on the small light-crossing time of the anisotropic transport step. Both the transport and the source term integration step are separated from the evolution of the magnetohydrodynamical equations using an operator split approach. The new algorithm is tested with a variety of test problems, including shock tubes, a perpendicular magnetized discontinuity, the hydrodynamic response to a CR overpressure, CR acceleration of a warm cloud, and a CR blast wave, which demonstrate that the coupling between CR and magnetohydrodynamics is robust and accurate. We demonstrate the numerical convergence of the presented scheme using new linear and non-linear analytic solutions.}, language = {en} } @article{KreowskyStabernack2021, author = {Kreowsky, Philipp and Stabernack, Christian Benno}, title = {A full-featured FPGA-based pipelined architecture for SIFT extraction}, series = {IEEE access : practical research, open solutions / Institute of Electrical and Electronics Engineers}, volume = {9}, journal = {IEEE access : practical research, open solutions / Institute of Electrical and Electronics Engineers}, publisher = {Inst. of Electr. and Electronics Engineers}, address = {New York, NY}, issn = {2169-3536}, doi = {10.1109/ACCESS.2021.3104387}, pages = {128564 -- 128573}, year = {2021}, abstract = {Image feature detection is a key task in computer vision. Scale Invariant Feature Transform (SIFT) is a prevalent and well known algorithm for robust feature detection. However, it is computationally demanding and software implementations are not applicable for real-time performance. In this paper, a versatile and pipelined hardware implementation is proposed, that is capable of computing keypoints and rotation invariant descriptors on-chip. All computations are performed in single precision floating-point format which makes it possible to implement the original algorithm with little alteration. Various rotation resolutions and filter kernel sizes are supported for images of any resolution up to ultra-high definition. For full high definition images, 84 fps can be processed. Ultra high definition images can be processed at 21 fps.}, language = {en} } @article{GerstenbergSkupienDekens2021, author = {Gerstenberg, Annette and Skupien-Dekens, Carine}, title = {A grammar of authority?}, series = {Journal of historical pragmatics}, volume = {22}, journal = {Journal of historical pragmatics}, number = {1}, publisher = {John Benjamins Publishing Co.}, address = {Amsterdam}, issn = {1566-5852}, doi = {10.1075/jhp.17006.ger}, pages = {1 -- 33}, year = {2021}, abstract = {Directive Speech Acts (dsas) are a major feature of historical pragmatics, specifically in research on historical (im)politeness. However, for Classical French, there is a lack of research on related phenomena. In our contribution, we present two recently constructed corpora covering the period of Classical French, sermo and apwcf. We present these corpora in terms of their genre characteristics on a communicative-functional and socio-pragmatic level. Based on the observation that, both in sermo and apwcf, dsas frequently occur together with terms of address, we analyse and manually code a sample based on this co-occurrence, and we compare the results with regard to special features in the individual corpora. The emerging patterns show a clear correspondence between socio-pragmatic factors and the linguistic means used to realise dsas. We propose that these results can be interpreted as signs of an underlying "grammar of authority".}, language = {en} } @article{KemptonMuenchYau2021, author = {Kempton, Mark and M{\"u}nch, Florentin and Yau, Shing-Tung}, title = {A homology vanishing theorem for graphs with positive curvature}, series = {Communications in analysis and geometry}, volume = {29}, journal = {Communications in analysis and geometry}, number = {6}, publisher = {International Press of Boston}, address = {Somerville}, issn = {1019-8385}, doi = {10.4310/CAG.2021.v29.n6.a5}, pages = {1449 -- 1473}, year = {2021}, abstract = {We prove a homology vanishing theorem for graphs with positive Bakry-' Emery curvature, analogous to a classic result of Bochner on manifolds [3]. Specifically, we prove that if a graph has positive curvature at every vertex, then its first homology group is trivial, where the notion of homology that we use for graphs is the path homology developed by Grigor'yan, Lin, Muranov, and Yau [11]. We moreover prove that the fundamental group is finite for graphs with positive Bakry-' Emery curvature, analogous to a classic result of Myers on manifolds [22]. The proofs draw on several separate areas of graph theory, including graph coverings, gain graphs, and cycle spaces, in addition to the Bakry-Emery curvature, path homology, and graph homotopy. The main results follow as a consequence of several different relationships developed among these different areas. Specifically, we show that a graph with positive curvature cannot have a non-trivial infinite cover preserving 3-cycles and 4-cycles, and give a combinatorial interpretation of the first path homology in terms of the cycle space of a graph. Furthermore, we relate gain graphs to graph homotopy and the fundamental group developed by Grigor'yan, Lin, Muranov, and Yau [12], and obtain an alternative proof of their result that the abelianization of the fundamental group of a graph is isomorphic to the first path homology over the integers.}, language = {en} } @article{KlemmeFeldhausPotapkinetal.2021, author = {Klemme, Stephan and Feldhaus, Michael and Potapkin, Vasily and Wilke, Max and Borchert, Manuela and Louvel, Marion and Loges, Anselm and Rohrbach, Arno and Weitkamp, Petra and Welter, Edmund and Kokh, Maria A. and Schmidt, Christian and Testemale, Denis}, title = {A hydrothermal apparatus for x-ray absorption spectroscopy of hydrothermal fluids at DESY}, series = {Review of scientific instruments : a monthly journal devoted to scientific instruments, apparatus, and techniques}, volume = {92}, journal = {Review of scientific instruments : a monthly journal devoted to scientific instruments, apparatus, and techniques}, number = {6}, publisher = {AIP Publishing}, address = {Melville}, issn = {0034-6748}, doi = {10.1063/5.0044767}, pages = {6}, year = {2021}, abstract = {We present a new autoclave that enables in situ characterization of hydrothermal fluids at high pressures and high temperatures at synchrotron x-ray radiation sources. The autoclave has been specifically designed to enable x-ray absorption spectroscopy in fluids with applications to mineral solubility and element speciation analysis in hydrothermal fluids in complex compositions. However, other applications, such as Raman spectroscopy, in high-pressure fluids are also possible with the autoclave. First experiments were run at pressures between 100 and 600 bars and at temperatures between 25 degrees C and 550 degrees C, and preliminary results on scheelite dissolution in fluids of different compositions show that the autoclave is well suited to study the behavior of ore-forming metals at P-T conditions relevant to the Earth's crust.}, language = {en} } @article{Kosman2021, author = {Kosman, Admiʾel}, title = {A Journey Through the Gates of Good and Evil in Jewish Sources}, series = {Zeramim : an Online Journal of Applied Jewish Thought}, volume = {V}, journal = {Zeramim : an Online Journal of Applied Jewish Thought}, number = {2}, issn = {2577-4921}, year = {2021}, language = {en} } @article{MoesenlechnerPaunzenPelisolietal.2021, author = {M{\"o}senlechner, Gerald and Paunzen, Ernst and Pelisoli, Ingrid D. and Seelig, Joseph and Stidl, Sarah and Maitzen, Hans Michael}, title = {A Kepler K2 view of subdwarf A-type stars}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {657}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {0004-6361}, doi = {10.1051/0004-6361/202037789}, pages = {11}, year = {2021}, abstract = {Context. The spectroscopic class of subdwarf A-type (sdA) stars has come into focus in recent years because of their possible link to extremely low-mass white dwarfs, a rare class of objects resulting from binary evolution. Although most sdA stars are consistent with metal-poor halo main-sequence stars, the formation and evolution of a fraction of these stars are still matters of debate. Aims. The identification of photometric variability can help to put further constraints on the evolutionary status of sdA stars, in particular through the analysis of pulsations. Moreover, the binary ratio, which can be deduced from eclipsing binaries and ellipsoidal variables, is important as input for stellar models. In order to search for variability due to either binarity or pulsations in objects of the spectroscopic sdA class, we have extracted all available high precision light curves from the Kepler K2 mission. Methods. We have performed a thorough time series analysis on all available light curves, employing three different methods. Frequencies with a signal-to-noise ratio higher than four have been used for further analysis. Results. From the 25 targets, 13 turned out to be variables of different kinds (i.e., classical pulsating stars, ellipsoidal and cataclysmic variables, eclipsing binaries, and rotationally induced variables). For the remaining 12 objects, a variability threshold was determined.}, language = {en} } @article{SchwarzKutzinski2021, author = {Schwarz, Ingo and Kutzinski, Vera M.}, title = {A Letter from Alexander von Humboldt to Joseph Albert Wright - Archival Traces}, series = {HiN : Alexander von Humboldt im Netz}, volume = {XXII}, journal = {HiN : Alexander von Humboldt im Netz}, number = {43}, editor = {Ette, Ottmar and Knobloch, Eberhard}, publisher = {Universit{\"a}tsverlag Potsdam}, address = {Potsdam}, issn = {2568-3543}, doi = {10.25932/publishup-53278}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-532787}, pages = {5 -- 12}, year = {2021}, abstract = {A few months before his death, A. v. Humboldt attended the celebration in honor of the 127th birthday of George Washington at the US legation in Berlin. A letter to the American Envoy, Joseph A. Wright (1810 - 1867), underlines Humboldt's admiration for the fi rst president of the United States. At the same time Humboldt asked the diplomat to mail a letter to the German-American Bernard Moses (1832 - 1897) in Clinton, Louisiana, who had named his son Alexander Humboldt Moses (grave on the Hebrew Rest Cemetery \#2 in New Orleans, burial plot A, 12, 5). It appears to be possible that the Moses family still owns Humboldt's letter.}, language = {en} } @article{SchneiderLambersOrejas2021, author = {Schneider, Sven and Lambers, Leen and Orejas, Fernando}, title = {A logic-based incremental approach to graph repair featuring delta preservation}, series = {International journal on software tools for technology transfer : STTT}, volume = {23}, journal = {International journal on software tools for technology transfer : STTT}, number = {3}, publisher = {Springer}, address = {Berlin ; Heidelberg}, issn = {1433-2779}, doi = {10.1007/s10009-020-00584-x}, pages = {369 -- 410}, year = {2021}, abstract = {We introduce a logic-based incremental approach to graph repair, generating a sound and complete (upon termination) overview of least-changing graph repairs from which a user may select a graph repair based on non-formalized further requirements. This incremental approach features delta preservation as it allows to restrict the generation of graph repairs to delta-preserving graph repairs, which do not revert the additions and deletions of the most recent consistency-violating graph update. We specify consistency of graphs using the logic of nested graph conditions, which is equivalent to first-order logic on graphs. Technically, the incremental approach encodes if and how the graph under repair satisfies a graph condition using the novel data structure of satisfaction trees, which are adapted incrementally according to the graph updates applied. In addition to the incremental approach, we also present two state-based graph repair algorithms, which restore consistency of a graph independent of the most recent graph update and which generate additional graph repairs using a global perspective on the graph under repair. We evaluate the developed algorithms using our prototypical implementation in the tool AutoGraph and illustrate our incremental approach using a case study from the graph database domain.}, language = {en} } @article{FuchsKoenigGerstenberg2021, author = {Fuchs, Susanne and Koenig, Laura L. and Gerstenberg, Annette}, title = {A longitudinal study of speech acoustics in older French females}, series = {Languages : open access journal}, volume = {6}, journal = {Languages : open access journal}, number = {4}, publisher = {MDPI}, address = {Basel}, issn = {2226-471X}, doi = {10.3390/languages6040211}, pages = {24}, year = {2021}, abstract = {Aging in speech production is a multidimensional process. Biological, cognitive, social, and communicative factors can change over time, stay relatively stable, or may even compensate for each other. In this longitudinal work, we focus on stability and change at the laryngeal and supralaryngeal levels in the discourse particle euh produced by 10 older French-speaking females at two times, 10 years apart. Recognizing the multiple discourse roles of euh, we divided out occurrences according to utterance position. We quantified the frequency of euh, and evaluated acoustic changes in formants, fundamental frequency, and voice quality across time and utterance position. Results showed that euh frequency was stable with age. The only acoustic measure that revealed an age effect was harmonics-to-noise ratio, showing less noise at older ages. Other measures mostly varied with utterance position, sometimes in interaction with age. Some voice quality changes could reflect laryngeal adjustments that provide for airflow conservation utterance-finally. The data suggest that aging effects may be evident in some prosodic positions (e.g., utterance-final position), but not others (utterance-initial position). Thus, it is essential to consider the interactions among these factors in future work and not assume that vocal aging is evident throughout the signal.}, language = {en} } @article{WandtWinkelbeinerBornhorstetal.2021, author = {Wandt, Viktoria Klara Veronika and Winkelbeiner, Nicola Lisa and Bornhorst, Julia and Witt, Barbara and Raschke, Stefanie and Simon, Luise and Ebert, Franziska and Kipp, Anna Patricia and Schwerdtle, Tanja}, title = {A matter of concern}, series = {Redox Biology}, volume = {41}, journal = {Redox Biology}, publisher = {Elsevier}, address = {Amsterdam}, doi = {10.1016/j.redox.2021.101877}, pages = {13}, year = {2021}, abstract = {Neurons are post-mitotic cells in the brain and their integrity is of central importance to avoid neurodegeneration. Yet, the inability of self-replenishment of post-mitotic cells results in the need to withstand challenges from numerous stressors during life. Neurons are exposed to oxidative stress due to high oxygen consumption during metabolic activity in the brain. Accordingly, DNA damage can occur and accumulate, resulting in genome instability. In this context, imbalances in brain trace element homeostasis are a matter of concern, especially regarding iron, copper, manganese, zinc, and selenium. Although trace elements are essential for brain physiology, excess and deficient conditions are considered to impair neuronal maintenance. Besides increasing oxidative stress, DNA damage response and repair of oxidative DNA damage are affected by trace elements. Hence, a balanced trace element homeostasis is of particular importance to safeguard neuronal genome integrity and prevent neuronal loss. This review summarises the current state of knowledge on the impact of deficient, as well as excessive iron, copper, manganese, zinc, and selenium levels on neuronal genome stability}, language = {en} } @article{RamezaniZiaraniBookhagenSchmidtetal.2021, author = {Ramezani Ziarani, Maryam and Bookhagen, Bodo and Schmidt, Torsten and Wickert, Jens and de la Torre, Alejandro and Deng, Zhiguo and Calori, Andrea}, title = {A model for the relationship between rainfall, GNSS-derived integrated water vapour, and CAPE in the eastern central Andes}, series = {Remote Sensing}, volume = {13}, journal = {Remote Sensing}, number = {18}, publisher = {MDPI}, address = {Basel}, issn = {2072-4292}, doi = {10.3390/rs13183788}, pages = {19}, year = {2021}, abstract = {Atmospheric water vapour content is a key variable that controls the development of deep convective storms and rainfall extremes over the central Andes. Direct measurements of water vapour are challenging; however, recent developments in microwave processing allow the use of phase delays from L-band radar to measure the water vapour content throughout the atmosphere: Global Navigation Satellite System (GNSS)-based integrated water vapour (IWV) monitoring shows promising results to measure vertically integrated water vapour at high temporal resolutions. Previous works also identified convective available potential energy (CAPE) as a key climatic variable for the formation of deep convective storms and rainfall in the central Andes. Our analysis relies on GNSS data from the Argentine Continuous Satellite Monitoring Network, Red Argentina de Monitoreo Satelital Continuo (RAMSAC) network from 1999 to 2013. CAPE is derived from version 2.0 of the ECMWF's (European Centre for Medium-Range Weather Forecasts) Re-Analysis (ERA-interim) and rainfall from the TRMM (Tropical Rainfall Measuring Mission) product. In this study, we first analyse the rainfall characteristics of two GNSS-IWV stations by comparing their complementary cumulative distribution function (CCDF). Second, we separately derive the relation between rainfall vs. CAPE and GNSS-IWV. Based on our distribution fitting analysis, we observe an exponential relation of rainfall to GNSS-IWV. In contrast, we report a power-law relationship between the daily mean value of rainfall and CAPE at the GNSS-IWV station locations in the eastern central Andes that is close to the theoretical relationship based on parcel theory. Third, we generate a joint regression model through a multivariable regression analysis using CAPE and GNSS-IWV to explain the contribution of both variables in the presence of each other to extreme rainfall during the austral summer season. We found that rainfall can be characterised with a higher statistical significance for higher rainfall quantiles, e.g., the 0.9 quantile based on goodness-of-fit criterion for quantile regression. We observed different contributions of CAPE and GNSS-IWV to rainfall for each station for the 0.9 quantile. Fourth, we identify the temporal relation between extreme rainfall (the 90th, 95th, and 99th percentiles) and both GNSS-IWV and CAPE at 6 h time steps. We observed an increase before the rainfall event and at the time of peak rainfall—both for GNSS-integrated water vapour and CAPE. We show higher values of CAPE and GNSS-IWV for higher rainfall percentiles (99th and 95th percentiles) compared to the 90th percentile at a 6-h temporal scale. Based on our correlation analyses and the dynamics of the time series, we show that both GNSS-IWV and CAPE had comparable magnitudes, and we argue to consider both climatic variables when investigating their effect on rainfall extremes.}, language = {en} } @article{GrebenkovMetzlerOshanin2021, author = {Grebenkov, Denis S. and Metzler, Ralf and Oshanin, Gleb}, title = {A molecular relay race: sequential first-passage events to the terminal reaction centre in a cascade of diffusion controlled processes}, series = {New Journal of Physics (NJP)}, volume = {23}, journal = {New Journal of Physics (NJP)}, publisher = {IOP - Institute of Physics Publishing}, address = {Bristol}, issn = {1367-2630}, doi = {10.1088/1367-2630/ac1e42}, pages = {18}, year = {2021}, abstract = {We consider a sequential cascade of molecular first-reaction events towards a terminal reaction centre in which each reaction step is controlled by diffusive motion of the particles. The model studied here represents a typical reaction setting encountered in diverse molecular biology systems, in which, e.g. a signal transduction proceeds via a series of consecutive 'messengers': the first messenger has to find its respective immobile target site triggering a launch of the second messenger, the second messenger seeks its own target site and provokes a launch of the third messenger and so on, resembling a relay race in human competitions. For such a molecular relay race taking place in infinite one-, two- and three-dimensional systems, we find exact expressions for the probability density function of the time instant of the terminal reaction event, conditioned on preceding successful reaction events on an ordered array of target sites. The obtained expressions pertain to the most general conditions: number of intermediate stages and the corresponding diffusion coefficients, the sizes of the target sites, the distances between them, as well as their reactivities are arbitrary.}, language = {en} } @article{PerachAlexandron2021, author = {Perach, Shai and Alexandron, Giora}, title = {A MOOC-Based Computer Science Program for Middle School}, series = {EMOOCs 2021}, volume = {2021}, journal = {EMOOCs 2021}, publisher = {Universit{\"a}tsverlag Potsdam}, address = {Potsdam}, isbn = {978-3-86956-512-5}, doi = {10.25932/publishup-51713}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-517133}, pages = {111 -- 127}, year = {2021}, abstract = {In an attempt to pave the way for more extensive Computer Science Education (CSE) coverage in K-12, this research developed and made a preliminary evaluation of a blended-learning Introduction to CS program based on an academic MOOC. Using an academic MOOC that is pedagogically effective and engaging, such a program may provide teachers with disciplinary scaffolds and allow them to focus their attention on enhancing students' learning experience and nurturing critical 21st-century skills such as self-regulated learning. As we demonstrate, this enabled us to introduce an academic level course to middle-school students. In this research, we developed the principals and initial version of such a program, targeting ninth-graders in science-track classes who learn CS as part of their standard curriculum. We found that the middle-schoolers who participated in the program achieved academic results on par with undergraduate students taking this MOOC for academic credit. Participating students also developed a more accurate perception of the essence of CS as a scientific discipline. The unplanned school closure due to the COVID19 pandemic outbreak challenged the research but underlined the advantages of such a MOOCbased blended learning program above classic pedagogy in times of global or local crises that lead to school closure. While most of the science track classes seem to stop learning CS almost entirely, and the end-of-year MoE exam was discarded, the program's classes smoothly moved to remote learning mode, and students continued to study at a pace similar to that experienced before the school shut down.}, language = {en} } @article{NavarroOrejasPinoetal.2021, author = {Navarro, Marisa and Orejas, Fernando and Pino, Elvira and Lambers, Leen}, title = {A navigational logic for reasoning about graph properties}, series = {Journal of logical and algebraic methods in programming}, volume = {118}, journal = {Journal of logical and algebraic methods in programming}, publisher = {Elsevier Science}, address = {Amsterdam [u.a.]}, issn = {2352-2208}, doi = {10.1016/j.jlamp.2020.100616}, pages = {33}, year = {2021}, abstract = {Graphs play an important role in many areas of Computer Science. In particular, our work is motivated by model-driven software development and by graph databases. For this reason, it is very important to have the means to express and to reason about the properties that a given graph may satisfy. With this aim, in this paper we present a visual logic that allows us to describe graph properties, including navigational properties, i.e., properties about the paths in a graph. The logic is equipped with a deductive tableau method that we have proved to be sound and complete.}, language = {en} } @article{KindermannDoblerNiedeggenetal.2021, author = {Kindermann, Liana and Dobler, Magnus and Niedeggen, Daniela and Linst{\"a}dter, Anja}, title = {A new protocol for estimation of woody aboveground biomass in disturbance-prone ecosystems}, series = {Ecological indicators : integrating monitoring, assessment and management}, volume = {135}, journal = {Ecological indicators : integrating monitoring, assessment and management}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1470-160X}, doi = {10.1016/j.ecolind.2021.108466}, pages = {16}, year = {2021}, abstract = {Almost one third of global drylands are open forests and savannas, which are typically shaped by frequent natural disturbances such as wildfire and herbivory. Studies on ecosystem functions and services of woody vegetation require robust estimates of aboveground biomass (AGB). However, most methods have been developed for comparatively undisturbed forest ecosystems. As they are not tailored to accurately quantify AGB of small and irregular growth forms, their application on these growth forms may lead to unreliable or even biased AGB estimates in disturbance-prone dryland ecosystems. Moreover, these methods cannot quantify AGB losses caused by disturbance agents. Here we propose a methodology to estimate individual-and stand-level woody AGB in disturbance-prone ecosystems. It consists of flexible field sampling routines and estimation workflows for six growth classes, delineated by size and damage criteria. It also comprises a detailed damage assessment, harnessing the ecological archive of woody growth for past disturbances. Based on large inventories collected along steep gradients of elephant disturbances in African dryland ecosystems, we compared the AGB estimates generated with our proposed method against estimates from a less adapted forest inventory method. We evaluated the necessary stepwise procedures of method adaptation and analyzed each step's effect on stand-level AGB estimation. We further explored additional advantages of our proposed method with regard to disturbance impact quantification. Results indicate that a majority of growth forms and individuals in savanna vegetation could only be assessed if methods of AGB estimation were adapted to the conditions of a disturbance-prone ecosystem. Furthermore, our damage assessment demonstrated that one third to half of all woody AGB was lost to disturbances. Consequently, less adapted methods may be insufficient and are likely to render inaccurate AGB estimations. Our proposed method has the potential to accurately quantify woody AGB in disturbance-prone ecosystems, as well as AGB losses. Our method is more time consuming than conventional allometric approaches, yet it can cover sufficient areas within reasonable timespans, and can also be easily adapted to alternative sampling schemes.}, language = {en} } @article{GoethelListekMesserschmidtetal.2021, author = {G{\"o}thel, Markus and Listek, Martin and Messerschmidt, Katrin and Schl{\"o}r, Anja and H{\"o}now, Anja and Hanack, Katja}, title = {A New Workflow to Generate Monoclonal Antibodies against Microorganisms}, series = {Applied Sciences}, volume = {11}, journal = {Applied Sciences}, number = {20}, publisher = {MDPI}, address = {Basel}, issn = {1454-5101}, doi = {10.3390/app11209359}, pages = {15}, year = {2021}, abstract = {Monoclonal antibodies are used worldwide as highly potent and efficient detection reagents for research and diagnostic applications. Nevertheless, the specific targeting of complex antigens such as whole microorganisms remains a challenge. To provide a comprehensive workflow, we combined bioinformatic analyses with novel immunization and selection tools to design monoclonal antibodies for the detection of whole microorganisms. In our initial study, we used the human pathogenic strain E. coli O157:H7 as a model target and identified 53 potential protein candidates by using reverse vaccinology methodology. Five different peptide epitopes were selected for immunization using epitope-engineered viral proteins. The identification of antibody-producing hybridomas was performed by using a novel screening technology based on transgenic fusion cell lines. Using an artificial cell surface receptor expressed by all hybridomas, the desired antigen-specific cells can be sorted fast and efficiently out of the fusion cell pool. Selected antibody candidates were characterized and showed strong binding to the target strain E. coli O157:H7 with minor or no cross-reactivity to other relevant microorganisms such as Legionella pneumophila and Bacillus ssp. This approach could be useful as a highly efficient workflow for the generation of antibodies against microorganisms.}, language = {en} } @article{KellerLiuPeyerimhoff2021, author = {Keller, Matthias and Liu, Shiping and Peyerimhoff, Norbert}, title = {A note on eigenvalue bounds for non-compact manifolds}, series = {Mathematische Nachrichten}, volume = {294}, journal = {Mathematische Nachrichten}, number = {6}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0025-584X}, doi = {10.1002/mana.201900209}, pages = {1134 -- 1139}, year = {2021}, abstract = {In this article we prove upper bounds for the Laplace eigenvalues lambda(k) below the essential spectrum for strictly negatively curved Cartan-Hadamard manifolds. Our bound is given in terms of k(2) and specific geometric data of the manifold. This applies also to the particular case of non-compact manifolds whose sectional curvature tends to -infinity, where no essential spectrum is present due to a theorem of Donnelly/Li. The result stands in clear contrast to Laplacians on graphs where such a bound fails to be true in general.}, language = {en} } @article{VaidyaSchmidtRakowskietal.2021, author = {Vaidya, Shrijana and Schmidt, Marten and Rakowski, Peter and Bonk, Norbert and Verch, Gernot and Augustin, J{\"u}rgen and Sommer, Michael and Hoffmann, Mathias}, title = {A novel robotic chamber system allowing to accurately and precisely determining spatio-temporal CO2 flux dynamics of heterogeneous croplands}, series = {Agricultural and forest meteorology}, volume = {296}, journal = {Agricultural and forest meteorology}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0168-1923}, doi = {10.1016/j.agrformet.2020.108206}, pages = {9}, year = {2021}, abstract = {The precise and accurate assessment of carbon dioxide (CO2) exchange is crucial to identify terrestrial carbon (C) sources and sinks and for evaluating their role within the global C budget. The substantial uncertainty in disentangling the management and soil impact on measured CO2 fluxes are largely ignored especially in cropland. The reasons for this lies in the limitation of the widely used eddy covariance as well as manual and automatic chamber systems, which either account for short-term temporal variability or small-scale spatial heterogeneity, but barely both. To address this issue, we developed a novel robotic chamber system allowing for dozens of spatial measurement repetitions, thus enabling CO2 exchange measurements in a sufficient temporal and high small-scale spatial resolution. The system was tested from 08th July to 09th September 2019 at a heterogeneous field (100 m x 16 m), located within the hummocky ground moraine landscape of northeastern Germany (CarboZALF-D). The field is foreseen for a longer-term block trial manipulation experiment extending over three erosion induced soil types and was covered with spring barley. Measured fluxes of nighttime ecosystem respiration (R-eco) and daytime net ecosystem exchange (NEE) showed distinct temporal patterns influenced by crop phenology, weather conditions and management practices. Similarly, we found clear small-scale spatial differences in cumulated (gap-filled) R-eco, gross primary productivity (GPP) and NEE fluxes affected by the three distinct soil types. Additionally, spatial patterns induced by former management practices and characterized by differences in soil pH and nutrition status (P and K) were also revealed between plots within each of the three soil types, which allowed compensating for prior to the foreseen block trial manipulation experiment. The results underline the great potential of the novel robotic chamber system, which not only detects short-term temporal CO2 flux dynamics but also reflects the impact of small-scale spatial heterogeneity.}, language = {en} } @article{WehrhanSommer2021, author = {Wehrhan, Marc and Sommer, Michael}, title = {A parsimonious approach to estimate soil organic carbon applying Unmanned Aerial System (UAS) multispectral imagery and the topographic position index in a heterogeneous soil landscape}, series = {Remote sensing / Molecular Diversity Preservation International (MDPI)}, volume = {13}, journal = {Remote sensing / Molecular Diversity Preservation International (MDPI)}, number = {18}, publisher = {MDPI}, address = {Basel}, issn = {2072-4292}, doi = {10.3390/rs13183557}, pages = {20}, year = {2021}, abstract = {Remote sensing plays an increasingly key role in the determination of soil organic carbon (SOC) stored in agriculturally managed topsoils at the regional and field scales. Contemporary Unmanned Aerial Systems (UAS) carrying low-cost and lightweight multispectral sensors provide high spatial resolution imagery (<10 cm). These capabilities allow integrate of UAS-derived soil data and maps into digitalized workflows for sustainable agriculture. However, the common situation of scarce soil data at field scale might be an obstacle for accurate digital soil mapping. In our case study we tested a fixed-wing UAS equipped with visible and near infrared (VIS-NIR) sensors to estimate topsoil SOC distribution at two fields under the constraint of limited sampling points, which were selected by pedological knowledge. They represent all releva nt soil types along an erosion-deposition gradient; hence, the full feature space in terms of topsoils' SOC status. We included the Topographic Position Index (TPI) as a co-variate for SOC prediction. Our study was performed in a soil landscape of hummocky ground moraines, which represent a significant of global arable land. Herein, small scale soil variability is mainly driven by tillage erosion which, in turn, is strongly dependent on topography. Relationships between SOC, TPI and spectral information were tested by Multiple Linear Regression (MLR) using: (i) single field data (local approach) and (ii) data from both fields (pooled approach). The highest prediction performance determined by a leave-one-out-cross-validation (LOOCV) was obtained for the models using the reflectance at 570 nm in conjunction with the TPI as explanatory variables for the local approach (coefficient of determination (R-2) = 0.91; root mean square error (RMSE) = 0.11\% and R-2 = 0.48; RMSE = 0.33, respectively). The local MLR models developed with both reflectance and TPI using values from all points showed high correlations and low prediction errors for SOC content (R-2 = 0.88, RMSE = 0.07\%; R-2 = 0.79, RMSE = 0.06\%, respectively). The comparison with an enlarged dataset consisting of all points from both fields (pooled approach) showed no improvement of the prediction accuracy but yielded decreased prediction errors. Lastly, the local MLR models were applied to the data of the respective other field to evaluate the cross-field prediction ability. The spatial SOC pattern generally remains unaffected on both fields; differences, however, occur concerning the predicted SOC level. Our results indicate a high potential of the combination of UAS-based remote sensing and environmental covariates, such as terrain attributes, for the prediction of topsoil SOC content at the field scale. The temporal flexibility of UAS offer the opportunity to optimize flight conditions including weather and soil surface status (plant cover or residuals, moisture and roughness) which, otherwise, might obscure the relationship between spectral data and SOC content. Pedologically targeted selection of soil samples for model development appears to be the key for an efficient and effective prediction even with a small dataset.}, language = {en} } @article{SpikesRodriguezSilvaBennettetal.2021, author = {Spikes, Montrai and Rodr{\´i}guez-Silva, Rodet and Bennett, Kerri-Ann and Br{\"a}ger, Stefan and Josaphat, James and Torres-Pineda, Patricia and Ernst, Anja and Havenstein, Katja and Schlupp, Ingo and Tiedemann, Ralph}, title = {A phylogeny of the genus Limia (Teleostei: Poeciliidae) suggests a single-lake radiation nested in a Caribbean-wide allopatric speciation scenario}, series = {BMC Research Notes}, volume = {14}, journal = {BMC Research Notes}, publisher = {BMC Research Notes / Biomed Central}, address = {London}, issn = {1756-0500}, doi = {10.1186/s13104-021-05843-x}, pages = {1 -- 8}, year = {2021}, abstract = {Objective The Caribbean is an important global biodiversity hotspot. Adaptive radiations there lead to many speciation events within a limited period and hence are particularly prominent biodiversity generators. A prime example are freshwater fish of the genus Limia, endemic to the Greater Antilles. Within Hispaniola, nine species have been described from a single isolated site, Lake Mirago{\^a}ne, pointing towards extraordinary sympatric speciation. This study examines the evolutionary history of the Limia species in Lake Mirago{\^a}ne, relative to their congeners throughout the Caribbean. Results For 12 Limia species, we obtained almost complete sequences of the mitochondrial cytochrome b gene, a well-established marker for lower-level taxonomic relationships. We included sequences of six further Limia species from GenBank (total N  = 18 species). Our phylogenies are in concordance with other published phylogenies of Limia. There is strong support that the species found in Lake Mirago{\^a}ne in Haiti are monophyletic, confirming a recent local radiation. Within Lake Mirago{\^a}ne, speciation is likely extremely recent, leading to incomplete lineage sorting in the mtDNA. Future studies using multiple unlinked genetic markers are needed to disentangle the relationships within the Lake Mirago{\^a}ne clade.}, language = {en} } @article{CoetzeeVanRooyPeters2021, author = {Coetzee-Van Rooy, Susan and Peters, Arne}, title = {A portrait-corpus study of language attitudes towards Afrikaans and English}, series = {Language matters : studies in the languages of Africa}, volume = {52}, journal = {Language matters : studies in the languages of Africa}, number = {2}, publisher = {Routledge, Taylor \& Francis Group}, address = {Abingdon}, issn = {1022-8195}, doi = {10.1080/10228195.2021.1942167}, pages = {3 -- 28}, year = {2021}, abstract = {Language portraits are useful instruments to elicit speakers' reflections on the languages in their repertoires. In this study, we implement a "portrait-corpus approach" (Peters and Coetzee-Van Rooy 2020) to investigate the conceptualisations of the languages Afrikaans and English in 105 language portraits. In this approach, we use participants' reflections about their placement of the two languages on a human silhouette as a linguistic corpus. Relying on quantitative and qualitative analyses using WordSmith, Statistica and Atlas.ti, our study shows that Afrikaans is mainly conceptualised as a language that is located in more peripheral areas of the body (for example, the hands and feet) and, hence, is perceived as less important in participants' repertoires. The central location of English in the head reveals its status as an important language in the participants' multilingual repertoires. We argue that these conceptualisations of Afrikaans and English provide additional insight into the attitudes towards these languages in South Africa.}, language = {en} } @article{WarschburgerPetersenvonRezorietal.2021, author = {Warschburger, Petra and Petersen, Ann-Christin and von Rezori, Roman Enzio and Buchallik, Friederike and Baumeister, Harald and Holl, Reinhard and Minden, Kirsten and M{\"u}ller-​Stierlin, Annabel Sandra and Reinauer, Christina and Staab, Doris and COACH consortium,}, title = {A prospective investigation of developmental trajectories of psychosocial adjustment in adolescents facing a chronic condition - study protocol of an observational, multi-center study}, series = {BMC Pediatrics}, volume = {21}, journal = {BMC Pediatrics}, publisher = {BMC pediatrics}, address = {London}, issn = {1471-2431}, doi = {10.1186/s12887-021-02869-9}, pages = {1 -- 13}, year = {2021}, abstract = {Background Relatively little is known about protective factors and the emergence and maintenance of positive outcomes in the field of adolescents with chronic conditions. Therefore, the primary aim of the study is to acquire a deeper understanding of the dynamic process of resilience factors, coping strategies and psychosocial adjustment of adolescents living with chronic conditions. Methods/design We plan to consecutively recruit N = 450 adolescents (12-21 years) from three German patient registries for chronic conditions (type 1 diabetes, cystic fibrosis, or juvenile idiopathic arthritis). Based on screening for anxiety and depression, adolescents are assigned to two parallel groups - "inconspicuous" (PHQ-9 and GAD-7 < 7) vs. "conspicuous" (PHQ-9 or GAD-7 ≥ 7) - participating in a prospective online survey at baseline and 12-month follow-up. At two time points (T1, T2), we assess (1) intra- and interpersonal resiliency factors, (2) coping strategies, and (3) health-related quality of life, well-being, satisfaction with life, anxiety and depression. Using a cross-lagged panel design, we will examine the bidirectional longitudinal relations between resiliency factors and coping strategies, psychological adaptation, and psychosocial adjustment. To monitor Covid-19 pandemic effects, participants are also invited to take part in an intermediate online survey. Discussion The study will provide a deeper understanding of adaptive, potentially modifiable processes and will therefore help to develop novel, tailored interventions supporting a positive adaptation in youths with a chronic condition. These strategies should not only support those at risk but also promote the maintenance of a successful adaptation. Trial registration German Clinical Trials Register (DRKS), no. DRKS00025125. Registered on May 17, 2021.}, language = {en} } @article{GharabekyanKoetzPoghosyan2021, author = {Gharabekyan, Hrant H. and Koetz, Joachim and Poghosyan, Armen H.}, title = {A protonated L-cysteine adsorption on gold surface}, series = {Colloids and surfaces : an international journal devoted to the principles and applications of colloid and interface science ; A, Physicochemical and engineering aspects}, volume = {629}, journal = {Colloids and surfaces : an international journal devoted to the principles and applications of colloid and interface science ; A, Physicochemical and engineering aspects}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2021.127452}, pages = {7}, year = {2021}, abstract = {The adsorption of protonated L-cysteine onto Au(111) surface was studied via molecular dynamics method. The detailed examination of trajectories reveals that a couple of picoseconds need to be strongly adsorbed at the gold surface via L-cysteine's sulfur and oxygen atoms. The average distances of L-cysteine's adsorbed sulfur and oxygen from gold plane are-2.7 angstrom and-3.2 angstrom, correspondingly. We found that the adsorption of L-cysteine takes place preferentially at bridge site with possibility of-82\%. Discussing the conformation features of protonated L-cysteine, we consider that the most stable conformation of protonated L-cysteine is "reverse boat" position, where sulfur and oxygen pointed down to the gold surface, while the amino group is far from the gold surface.}, language = {en} } @article{PetrovićWendler2021, author = {Petrović, Saša and Wendler, Petra}, title = {A RADD approach to probing AAA plus protein function}, series = {Nature structural \& molecular biology}, volume = {28}, journal = {Nature structural \& molecular biology}, number = {4}, publisher = {Nature Publishing Group}, address = {Berlin}, issn = {1545-9993}, doi = {10.1038/s41594-021-00579-5}, pages = {329 -- 330}, year = {2021}, abstract = {AAA+ proteins (ATPases associated with various cellular activities) catalyze the energy-dependent movement or rearrangement of macromolecules. A new study addresses the important question of how to design a selective chemical inhibitor for specific proteins in this diverse superfamily. The powerful chemical genetics approach adds to a growing toolbox of applications that allow dissection of the functions of distinct AAA+ proteins in vivo, facilitating the first steps toward effective drug development.}, language = {en} } @article{Schmidt2021, author = {Schmidt, Imanuel Clemens}, title = {A Secular Tradition}, series = {PaRDeS : Journal of the Association for Jewish Studies in Germany}, journal = {PaRDeS : Journal of the Association for Jewish Studies in Germany}, number = {27}, publisher = {Universit{\"a}tsverlag Potsdam}, address = {Potsdam}, isbn = {978-3-86956-520-0}, issn = {1614-6492}, doi = {10.25932/publishup-53286}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-532868}, pages = {85 -- 100}, year = {2021}, abstract = {This article focuses on the social philosopher Horace Kallen and the revisions he made to the concept of cultural pluralism that he first developed in the early 20th century, applying it to postwar America and the young State of Israel. It shows how he opposed the assumption that the United States' social order was based on a "Judeo-Christian tradition." By constructing pluralism as a civil religion and carving out space for secular self-understandings in midcentury America, Kallen attempted to preserve the integrity of his earlier political visions, developed during World War I, of pluralist societies in the United States and Palestine within an internationalist global order. While his perspective on the State of Israel was largely shaped by his American experiences, he revised his approach to politically functionalizing religious traditions as he tested his American understanding of a secular, pluralist society against the political theology effective in the State of Israel. The trajectory of Kallen's thought points to fundamental questions about the compatibility of American and Israeli understandings of religion's function in society and its relation to political belonging, especially in light of their transnational connection through American Jewish support for the recently established state.}, language = {en} } @article{DahmHeimannMetzetal.2021, author = {Dahm, Torsten and Heimann, Sebastian and Metz, Malte and Isken, Marius Paul}, title = {A self-similar dynamic rupture model based on the simplified wave-rupture analogy}, series = {Geophysical journal international / the Royal Astronomical Society, the Deutsche Geophysikalische Gesellschaft and the European Geophysical Society}, volume = {225}, journal = {Geophysical journal international / the Royal Astronomical Society, the Deutsche Geophysikalische Gesellschaft and the European Geophysical Society}, number = {3}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0956-540X}, doi = {10.1093/gji/ggab045}, pages = {1586 -- 1604}, year = {2021}, abstract = {The investigation of stresses, faults, structure and seismic hazards requires a good understanding and mapping of earthquake rupture and slip. Constraining the finite source of earthquakes from seismic and geodetic waveforms is challenging because the directional effects of the rupture itself are small and dynamic numerical solutions often include a large number of free parameters. The computational effort is large and therefore difficult to use in an exploratory forward modelling or inversion approach. Here, we use a simplified self-similar fracture model with only a few parameters, where the propagation of the fracture front is decoupled from the calculation of the slip. The approximative method is flexible and computationally efficient. We discuss the strengths and limitations of the model with real-case examples of well-studied earthquakes. These include the M-w 8.3 2015 Illapel, Chile, megathrust earthquake at the plate interface of a subduction zone and examples of continental intraplate strike-slip earthquakes like the M-w 7.1 2016 Kumamoto, Japan, multisegment variable slip event or the M-w 7.5 2018 Palu, Indonesia, supershear earthquake. Despite the simplicity of the model, a large number of observational features ranging from different rupture-front isochrones and slip distributions to directional waveform effects or high slip patches are easy to model. The temporal evolution of slip rate and rise time are derived from the incremental growth of the rupture and the stress drop without imposing other constraints. The new model is fast and implemented in the open-source Python seismology toolbox Pyrocko, ready to study the physics of rupture and to be used in finite source inversions.}, language = {en} } @article{MummHermanussen2021, author = {Mumm, Rebekka and Hermanussen, Michael}, title = {A short note on the BMI and on secular changes in BMI}, series = {Human biology and public health}, journal = {Human biology and public health}, number = {2}, publisher = {Universit{\"a}tsverlag Potsdam}, address = {Potsdam}, issn = {2748-9957}, doi = {10.52905/hbph.v2.17}, year = {2021}, abstract = {Human size changes over time with worldwide secular trends in height, weight, and body mass index (BMI). There is general agreement to relate the state of nutrition to height and weight, and to ratios of weight-to-height. The BMI is a ratio. It is commonly used to classify underweight, overweight and obesity in adults. Yet, the BMI is inappropriate to provide any immediate information on body composition. It is accepted that the BMI is "a simple index to classify underweight, overweight and obesity in adults". It is stated that "policies, programmes and investments need to be "nutrition-sensitive", which means they must have positive impacts on nutrition". It is also stated that "a need for policies that address all forms of malnutrition by making healthy foods accessible and affordable, while restricting unhealthy foods through fiscal and regulatory restrictions". But these statements are neither warranted by arithmetic considerations, nor by historic evidence. Measuring the BMI is an appropriate screening tool for detecting an unusual weight-to-height ratio, but the BMI is an inappropriate tool for estimating body composition, or suggesting medical and health policy decisions.}, language = {en} } @article{SchlemmLevermann2021, author = {Schlemm, Tanja and Levermann, Anders}, title = {A simple parametrization of m{\´e}lange buttressing for calving glaciers}, series = {The Cryosphere : TC ; an interactive open access journal of the European Geosciences Union}, volume = {15}, journal = {The Cryosphere : TC ; an interactive open access journal of the European Geosciences Union}, number = {2}, publisher = {Copernicus}, address = {G{\"o}ttingen}, issn = {1994-0416}, doi = {10.5194/tc-15-531-2021}, pages = {531 -- 545}, year = {2021}, abstract = {Both ice sheets in Greenland and Antarctica are discharging ice into the ocean. In many regions along the coast of the ice sheets, the icebergs calve into a bay. If the addition of icebergs through calving is faster than their transport out of the embayment, the icebergs will be frozen into a melange with surrounding sea ice in winter. In this case, the buttressing effect of the ice melange can be considerably stronger than any buttressing by mere sea ice would be. This in turn stabilizes the glacier terminus and leads to a reduction in calving rates. Here we propose a simple parametrization of ice melange buttressing which leads to an upper bound on calving rates and can be used in numerical and analytical modelling.}, language = {en} } @article{DoerrKrejca2021, author = {Doerr, Benjamin and Krejca, Martin Stefan}, title = {A simplified run time analysis of the univariate marginal distribution algorithm on LeadingOnes}, series = {Theoretical computer science}, volume = {851}, journal = {Theoretical computer science}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0304-3975}, doi = {10.1016/j.tcs.2020.11.028}, pages = {121 -- 128}, year = {2021}, abstract = {With elementary means, we prove a stronger run time guarantee for the univariate marginal distribution algorithm (UMDA) optimizing the LEADINGONES benchmark function in the desirable regime with low genetic drift. If the population size is at least quasilinear, then, with high probability, the UMDA samples the optimum in a number of iterations that is linear in the problem size divided by the logarithm of the UMDA's selection rate. This improves over the previous guarantee, obtained by Dang and Lehre (2015) via the deep level-based population method, both in terms of the run time and by demonstrating further run time gains from small selection rates. Under similar assumptions, we prove a lower bound that matches our upper bound up to constant factors.}, language = {en} } @article{KoertingKoellnerKurasetal.2021, author = {K{\"o}rting, Friederike Magdalena and K{\"o}llner, Nicole and Kuras, Agnieszka and B{\"o}sche, Nina Kristin and Rogass, Christian and Mielke, Christian and Elger, Kirsten and Altenberger, Uwe}, title = {A solar optical hyperspectral library of rare-earth-bearing minerals, rare-earth oxide powders, copper-bearing minerals and Apliki mine surface samples}, series = {Earth system science data : ESSD}, volume = {13}, journal = {Earth system science data : ESSD}, publisher = {Copernics Publications}, address = {Katlenburg-Lindau}, issn = {1866-3508}, doi = {10.5194/essd-13-923-2021}, pages = {923 -- 942}, year = {2021}, abstract = {Mineral resource exploration and mining is an essential part of today's high-tech industry. Elements such as rare-earth elements (REEs) and copper are, therefore, in high demand. Modern exploration techniques from multiple platforms (e.g., spaceborne and airborne), to detect and map the spectral characteristics of the materials of interest, require spectral libraries as an essential reference. They include field and laboratory spectral information in combination with geochemical analyses for validation. Here, we present a collection of REE- and copper-related hyperspectral spectra with associated geochemical information. The libraries contain reflectance spectra from rare-earth element oxides, REE-bearing minerals, copper-bearing minerals and mine surface samples from the Apliki copper-gold-pyrite mine in the Republic of Cyprus. The samples were measured with the HySpex imaging spectrometers in the visible and near infrared (VNIR) and shortwave infrared (SWIR) range (400-2500 nm). The geochemical validation of each sample is provided with the reflectance spectra. The spectral libraries are openly available to assist future mineral mapping campaigns and laboratory spectroscopic analyses. The spectral libraries and corresponding geochemistry are published via GFZ Data Services with the following DOIs: https://doi.org/10.5880/GFZ.1.4.2019.004 (13 REE-bearing minerals and 16 oxide powders, Koerting et al., 2019a), https://doi.org/10.5880/GFZ.1.4.2019.003 (20 copper-bearing minerals, Koellner et al., 2019), and https://doi.org/10.5880/GFZ.1.4.2019.005 (37 copper-bearing surface material samples from the Apliki coppergold-pyrite mine in Cyprus, Koerting et al., 2019b). All spectral libraries are united and comparable by the internally consistent method of hyperspectral data acquisition in the laboratory.}, language = {en} } @article{KuekenWenderingLangaryetal.2021, author = {K{\"u}ken, Anika and Wendering, Philipp and Langary, Damoun and Nikoloski, Zoran}, title = {A structural property for reduction of biochemical networks}, series = {Scientific reports}, volume = {11}, journal = {Scientific reports}, number = {1}, publisher = {Macmillan Publishers Limited, part of Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-021-96835-1}, pages = {11}, year = {2021}, abstract = {Large-scale biochemical models are of increasing sizes due to the consideration of interacting organisms and tissues. Model reduction approaches that preserve the flux phenotypes can simplify the analysis and predictions of steady-state metabolic phenotypes. However, existing approaches either restrict functionality of reduced models or do not lead to significant decreases in the number of modelled metabolites. Here, we introduce an approach for model reduction based on the structural property of balancing of complexes that preserves the steady-state fluxes supported by the network and can be efficiently determined at genome scale. Using two large-scale mass-action kinetic models of Escherichia coli, we show that our approach results in a substantial reduction of 99\% of metabolites. Applications to genome-scale metabolic models across kingdoms of life result in up to 55\% and 85\% reduction in the number of metabolites when arbitrary and mass-action kinetics is assumed, respectively. We also show that predictions of the specific growth rate from the reduced models match those based on the original models. Since steady-state flux phenotypes from the original model are preserved in the reduced, the approach paves the way for analysing other metabolic phenotypes in large-scale biochemical networks.}, language = {en} }