@article{ZemellaThoringHoffmeisteretal.2018, author = {Zemella, Anne and Thoring, Lena and Hoffmeister, Christian and Samalikova, Maria and Ehren, Patricia and W{\"u}stenhagen, Doreen Anja and Kubick, Stefan}, title = {Cell-free protein synthesis as a novel tool for directed glycoengineering of active erythropoietin}, series = {Scientific reports}, volume = {8}, journal = {Scientific reports}, publisher = {Nature Publ. Group}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-018-26936-x}, pages = {12}, year = {2018}, abstract = {As one of the most complex post-translational modification, glycosylation is widely involved in cell adhesion, cell proliferation and immune response. Nevertheless glycoproteins with an identical polypeptide backbone mostly differ in their glycosylation patterns. Due to this heterogeneity, the mapping of different glycosylation patterns to their associated function is nearly impossible. In the last years, glycoengineering tools including cell line engineering, chemoenzymatic remodeling and site-specific glycosylation have attracted increasing interest. The therapeutic hormone erythropoietin (EPO) has been investigated in particular by various groups to establish a production process resulting in a defined glycosylation pattern. However commercially available recombinant human EPO shows batch-to-batch variations in its glycoforms. Therefore we present an alternative method for the synthesis of active glycosylated EPO with an engineered O-glycosylation site by combining eukaryotic cell-free protein synthesis and site-directed incorporation of non-canonical amino acids with subsequent chemoselective modifications.}, language = {en} } @misc{ZemellaThoringHoffmeisteretal.2018, author = {Zemella, Anne and Thoring, Lena and Hoffmeister, Christian and Šamal{\´i}kov{\´a}, M{\´a}ria and Ehren, Patricia and W{\"u}stenhagen, Doreen Anja and Kubick, Stefan}, title = {Cell-free protein synthesis as a novel tool for directed glycoengineering of active erythropoietin}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch Naturwissenschaftliche Reihe}, number = {824}, doi = {10.25932/publishup-42701}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-427017}, pages = {14}, year = {2018}, abstract = {As one of the most complex post-translational modification, glycosylation is widely involved in cell adhesion, cell proliferation and immune response. Nevertheless glycoproteins with an identical polypeptide backbone mostly differ in their glycosylation patterns. Due to this heterogeneity, the mapping of different glycosylation patterns to their associated function is nearly impossible. In the last years, glycoengineering tools including cell line engineering, chemoenzymatic remodeling and site-specific glycosylation have attracted increasing interest. The therapeutic hormone erythropoietin (EPO) has been investigated in particular by various groups to establish a production process resulting in a defined glycosylation pattern. However commercially available recombinant human EPO shows batch-to-batch variations in its glycoforms. Therefore we present an alternative method for the synthesis of active glycosylated EPO with an engineered O-glycosylation site by combining eukaryotic cell-free protein synthesis and site-directed incorporation of non-canonical amino acids with subsequent chemoselective modifications.}, language = {en} } @article{CaliendoKuennWeissenberger2020, author = {Caliendo, Marco and K{\"u}nn, Steffen and Weissenberger, Martin}, title = {Catching up or lagging behind?}, series = {Research policy : policy, management and economic studies of science, technology and innovation}, volume = {49}, journal = {Research policy : policy, management and economic studies of science, technology and innovation}, number = {10}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0048-7333}, doi = {10.1016/j.respol.2020.104053}, pages = {14}, year = {2020}, abstract = {From an active labor market policy perspective, start-up subsidies for unemployed individuals are very effective in improving long-term labor market outcomes for participants. From a business perspective, however, the assessment of these public programs is less clear since they might attract individuals with low entrepreneurial abilities and produce businesses with low survival rates and little contribution to job creation, economic growth, and innovation. In this paper, we use a rich data set to compare participants of a German start-up subsidy program for unemployed individuals to a group of regular founders who started from non-unemployment and did not receive the subsidy. The data allows us to analyze their business performance up until 40 months after business formation. We find that formerly subsidized founders lag behind not only in survival and job creation, but especially also in innovation activities. The gaps in these business outcomes are relatively constant or even widening over time. Hence, we do not see any indication of catching up in the longer run. While the gap in survival can be entirely explained by initial differences in observable start-up characteristics, the gap in business development remains and seems to be the result of restricted access to capital as well as differential business strategies and dynamics. Considering these conflicting results for the assessment of the subsidy program from an ALMP and business perspective, policy makers need to carefully weigh the costs and benefits of such a strategy to find the right policy mix.}, language = {en} } @misc{KindlerPulkkinenCherstvyetal.2019, author = {Kindler, Oliver and Pulkkinen, Otto and Cherstvy, Andrey G. and Metzler, Ralf}, title = {Burst Statistics in an Early Biofilm Quorum Sensing Mode}, series = {Postprints der Universit{\"a}t Potsdam Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam Mathematisch-Naturwissenschaftliche Reihe}, number = {777}, issn = {1866-8372}, doi = {10.25932/publishup-43909}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-439099}, pages = {21}, year = {2019}, abstract = {Quorum-sensing bacteria in a growing colony of cells send out signalling molecules (so-called "autoinducers") and themselves sense the autoinducer concentration in their vicinity. Once—due to increased local cell density inside a "cluster" of the growing colony—the concentration of autoinducers exceeds a threshold value, cells in this clusters get "induced" into a communal, multi-cell biofilm-forming mode in a cluster-wide burst event. We analyse quantitatively the influence of spatial disorder, the local heterogeneity of the spatial distribution of cells in the colony, and additional physical parameters such as the autoinducer signal range on the induction dynamics of the cell colony. Spatial inhomogeneity with higher local cell concentrations in clusters leads to earlier but more localised induction events, while homogeneous distributions lead to comparatively delayed but more concerted induction of the cell colony, and, thus, a behaviour close to the mean-field dynamics. We quantify the induction dynamics with quantifiers such as the time series of induction events and burst sizes, the grouping into induction families, and the mean autoinducer concentration levels. Consequences for different scenarios of biofilm growth are discussed, providing possible cues for biofilm control in both health care and biotechnology.}, language = {en} } @article{KindlerPulkkinenCherstvyetal.2019, author = {Kindler, Oliver and Pulkkinen, Otto and Cherstvy, Andrey G. and Metzler, Ralf}, title = {Burst Statistics in an Early Biofilm Quorum Sensing Mode}, series = {Scientific Reports}, volume = {9}, journal = {Scientific Reports}, publisher = {Macmillan Publishers Limited part of Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-019-48525-2}, pages = {19}, year = {2019}, abstract = {Quorum-sensing bacteria in a growing colony of cells send out signalling molecules (so-called "autoinducers") and themselves sense the autoinducer concentration in their vicinity. Once—due to increased local cell density inside a "cluster" of the growing colony—the concentration of autoinducers exceeds a threshold value, cells in this clusters get "induced" into a communal, multi-cell biofilm-forming mode in a cluster-wide burst event. We analyse quantitatively the influence of spatial disorder, the local heterogeneity of the spatial distribution of cells in the colony, and additional physical parameters such as the autoinducer signal range on the induction dynamics of the cell colony. Spatial inhomogeneity with higher local cell concentrations in clusters leads to earlier but more localised induction events, while homogeneous distributions lead to comparatively delayed but more concerted induction of the cell colony, and, thus, a behaviour close to the mean-field dynamics. We quantify the induction dynamics with quantifiers such as the time series of induction events and burst sizes, the grouping into induction families, and the mean autoinducer concentration levels. Consequences for different scenarios of biofilm growth are discussed, providing possible cues for biofilm control in both health care and biotechnology.}, language = {en} } @article{MichałowskiWiwatowskaWeymar2020, author = {Michałowski, Jarosław M. and Wiwatowska, Ewa and Weymar, Mathias}, title = {Brain potentials reveal reduced attention and error-processing during a monetary Go/No-Go task in procrastination}, series = {Scientific reports}, volume = {10}, journal = {Scientific reports}, number = {1}, publisher = {Macmillan Publishers Limited, part of Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-020-75311-2}, pages = {12}, year = {2020}, abstract = {Procrastination is a self-regulatory problem of voluntarily and destructively delaying intended and necessary or personally important tasks. Previous studies showed that procrastination is associated with executive dysfunctions that seem to be particularly strong in punishing contexts. In the present event-related potential (ERP) study a monetary version of the parametric Go/No-Go task was performed by high and low academic procrastinators to verify the influence of motivational context (reward vs. punishment expectation) and task difficulty (easy vs. hard) on procrastination-related executive dysfunctions. The results revealed increased post-error slowing along with reduced P300 and error-related negativity (ERN) amplitudes in high (vs. low) procrastination participants-effects that indicate impaired attention and error-related processing in this group. This pattern of results did not differ as a function of task difficulty and motivation condition. However, when the task got more difficult executive attention deficits became even more apparent at the behavioral level in high procrastinators, as indexed by increased reaction time variability. The findings substantiate prior preliminary evidence that procrastinators show difficulties in certain aspects of executive functioning (in attention and error processing) during execution of task-relevant behavior, which may be more apparent in highly demanding situations.}, language = {en} } @misc{HardyTorresRendonLealEganaetal.2017, author = {Hardy, John G. and Torres-Rendon, Jose Guillermo and Leal-Ega{\~n}a, Aldo and Walther, Andreas and Schlaad, Helmut and C{\"o}lfen, Helmut and Scheibel, Thomas R.}, title = {Biomineralization of engineered spider silk protein-based composite materials for bone tissue engineering}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-400519}, pages = {13}, year = {2017}, abstract = {Materials based on biodegradable polyesters, such as poly(butylene terephthalate) (PBT) or poly(butylene terephthalate-co-poly(alkylene glycol) terephthalate) (PBTAT), have potential application as pro-regenerative scaffolds for bone tissue engineering. Herein, the preparation of films composed of PBT or PBTAT and an engineered spider silk protein, (eADF4(C16)), that displays multiple carboxylic acid moieties capable of binding calcium ions and facilitating their biomineralization with calcium carbonate or calcium phosphate is reported. Human mesenchymal stem cells cultured on films mineralized with calcium phosphate show enhanced levels of alkaline phosphatase activity suggesting that such composites have potential use for bone tissue engineering.}, language = {en} } @article{SuesserGaschnigCeglarzetal.2021, author = {S{\"u}sser, Diana and Gaschnig, Hannes and Ceglarz, Andrzej and Stavrakas, Vassilis and Flamos, Alexandros and Lilliestam, Johan}, title = {Better suited or just more complex?}, series = {Energy}, volume = {239}, journal = {Energy}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0360-5442}, doi = {10.1016/j.energy.2021.121909}, pages = {32}, year = {2021}, abstract = {Energy system models are advancing rapidly. However, it is not clear whether models are becoming better, in the sense that they address the questions that decision-makers need to be answered to make well-informed decisions. Therefore, we investigate the gap between model improvements relevant from the perspective of modellers compared to what users of model results think models should address. Thus, we ask: What are the differences between energy model improvements as perceived by modellers, and the actual needs of users of model results? To answer this question, we conducted a literature review, 32 interviews, and an online survey. Our results show that user needs and ongoing improvements of energy system models align to a large degree so that future models are indeed likely to be better than current models. We also find mismatches between the needs of modellers and users, especially in the modelling of social, behavioural and political aspects, the trade-off between model complexity and understandability, and the ways that model results should be communicated. Our findings suggest that a better understanding of user needs and closer cooperation between modellers and users is imperative to truly improve models and unlock their full potential to support the transition towards climate neutrality in Europe.}, language = {en} } @misc{WeymarVenturaBortWendtetal.2019, author = {Weymar, Mathias and Ventura-Bort, Carlos and Wendt, Julia and Lischke, Alexander}, title = {Behavioral and neural evidence of enhanced long-term memory for untrustworthy faces}, series = {Postprints der Universit{\"a}t Potsdam : Humanwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Humanwissenschaftliche Reihe}, number = {594}, issn = {1866-8364}, doi = {10.25932/publishup-44292}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-442925}, pages = {10}, year = {2019}, abstract = {In daily life, we automatically form impressions of other individuals on basis of subtle facial features that convey trustworthiness. Because these face-based judgements influence current and future social interactions, we investigated how perceived trustworthiness of faces affects long-term memory using event-related potentials (ERPs). In the current study, participants incidentally viewed 60 neutral faces differing in trustworthiness, and one week later, performed a surprise recognition memory task, in which the same old faces were presented intermixed with novel ones. We found that after one week untrustworthy faces were better recognized than trustworthy faces and that untrustworthy faces prompted early (350-550 ms) enhanced frontal ERP old/new differences (larger positivity for correctly remembered old faces, compared to novel ones) during recognition. Our findings point toward an enhanced long-lasting, likely familiarity-based, memory for untrustworthy faces. Even when trust judgments about a person do not necessarily need to be accurate, a fast access to memories predicting potential harm may be important to guide social behaviour in daily life.}, language = {en} } @article{WeymarVenturaBortWendtetal.2019, author = {Weymar, Mathias and Ventura-Bort, Carlos and Wendt, Julia and Lischke, Alexander}, title = {Behavioral and neural evidence of enhanced long-term memory for untrustworthy faces}, series = {Scientific Reports}, volume = {9}, journal = {Scientific Reports}, publisher = {Macmillan Publishers Limited}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-019-55705-7}, pages = {8}, year = {2019}, abstract = {In daily life, we automatically form impressions of other individuals on basis of subtle facial features that convey trustworthiness. Because these face-based judgements influence current and future social interactions, we investigated how perceived trustworthiness of faces affects long-term memory using event-related potentials (ERPs). In the current study, participants incidentally viewed 60 neutral faces differing in trustworthiness, and one week later, performed a surprise recognition memory task, in which the same old faces were presented intermixed with novel ones. We found that after one week untrustworthy faces were better recognized than trustworthy faces and that untrustworthy faces prompted early (350-550 ms) enhanced frontal ERP old/new differences (larger positivity for correctly remembered old faces, compared to novel ones) during recognition. Our findings point toward an enhanced long-lasting, likely familiarity-based, memory for untrustworthy faces. Even when trust judgments about a person do not necessarily need to be accurate, a fast access to memories predicting potential harm may be important to guide social behaviour in daily life.}, language = {en} } @misc{HenkelColemanMacGregorofInneregnySchraplauetal.2018, author = {Henkel, Janin and Coleman Mac Gregor of Inneregny, Charles Dominic and Schraplau, Anne and J{\"o}hrens, Korinna and Weiss, Thomas Siegfried and Jonas, Wenke and Sch{\"u}rmann, Annette and P{\"u}schel, Gerhard Paul}, title = {Augmented liver inflammation in a microsomal prostaglandin E synthase 1 (mPGES-1)-deficient diet-induced mouse NASH model}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {483}, issn = {1866-8372}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-420879}, pages = {11}, year = {2018}, abstract = {In a subset of patients, non-alcoholic fatty liver disease (NAFLD) is complicated by cell death and inflammation resulting in non-alcoholic steatohepatitis (NASH), which may progress to fibrosis and subsequent organ failure. Apart from cytokines, prostaglandins, in particular prostaglandin E-2 (PGE(2)), play a pivotal role during inflammatory processes. Expression of the key enzymes of PGE(2) synthesis, cyclooxygenase 2 and microsomal PGE synthase 1 (mPGES-1), was increased in human NASH livers in comparison to controls and correlated with the NASH activity score. Both enzymes were also induced in NASH-diet-fed wild-type mice, resulting in an increase in hepatic PGE(2) concentration that was completely abrogated in mPGES-1-deficient mice. PGE(2) is known to inhibit TNF-alpha synthesis in macrophages. A strong infiltration of monocyte-derived macrophages was observed in NASH-diet-fed mice, which was accompanied with an increase in hepatic TNF-alpha expression. Due to the impaired PGE(2) production, TNF-alpha expression increased much more in livers of mPGES-1-deficient mice or in the peritoneal macrophages of these mice. The increased levels of TNF-alpha resulted in an enhanced IL-1 beta production, primarily in hepatocytes, and augmented hepatocyte apoptosis. In conclusion, attenuation of PGE(2) production by mPGES-1 ablation enhanced the TNF-alpha-triggered inflammatory response and hepatocyte apoptosis in diet-induced NASH.}, language = {en} } @article{HenkelColemanMacGregorofInneregnySchraplauetal.2018, author = {Henkel, Janin and Coleman Mac Gregor of Inneregny, Charles Dominic and Schraplau, Anne and J{\"o}hrens, Korinna and Weiss, Thomas Siegfried and Jonas, Wenke and Sch{\"u}rmann, Annette and P{\"u}schel, Gerhard Paul}, title = {Augmented liver inflammation in a microsomal prostaglandin E synthase 1 (mPGES-1)-deficient diet-induced mouse NASH model}, series = {Scientific Reports}, journal = {Scientific Reports}, number = {8}, publisher = {Nature Research}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-018-34633-y}, pages = {1 -- 11}, year = {2018}, abstract = {In a subset of patients, non-alcoholic fatty liver disease (NAFLD) is complicated by cell death and inflammation resulting in non-alcoholic steatohepatitis (NASH), which may progress to fibrosis and subsequent organ failure. Apart from cytokines, prostaglandins, in particular prostaglandin E-2 (PGE(2)), play a pivotal role during inflammatory processes. Expression of the key enzymes of PGE(2) synthesis, cyclooxygenase 2 and microsomal PGE synthase 1 (mPGES-1), was increased in human NASH livers in comparison to controls and correlated with the NASH activity score. Both enzymes were also induced in NASH-diet-fed wild-type mice, resulting in an increase in hepatic PGE(2) concentration that was completely abrogated in mPGES-1-deficient mice. PGE(2) is known to inhibit TNF-alpha synthesis in macrophages. A strong infiltration of monocyte-derived macrophages was observed in NASH-diet-fed mice, which was accompanied with an increase in hepatic TNF-alpha expression. Due to the impaired PGE(2) production, TNF-alpha expression increased much more in livers of mPGES-1-deficient mice or in the peritoneal macrophages of these mice. The increased levels of TNF-alpha resulted in an enhanced IL-1 beta production, primarily in hepatocytes, and augmented hepatocyte apoptosis. In conclusion, attenuation of PGE(2) production by mPGES-1 ablation enhanced the TNF-alpha-triggered inflammatory response and hepatocyte apoptosis in diet-induced NASH.}, language = {en} } @article{MachatschekSaretiaLendlein2021, author = {Machatschek, Rainhard Gabriel and Saretia, Shivam and Lendlein, Andreas}, title = {Assessing the influence of temperature-memory creation on the degradation of copolyesterurethanes in ultrathin films}, series = {Advanced materials interfaces}, volume = {8}, journal = {Advanced materials interfaces}, number = {6}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {2196-7350}, doi = {10.1002/admi.202001926}, pages = {8}, year = {2021}, abstract = {Copolyesterurethanes (PDLCLs) based on oligo(epsilon-caprolactone) (OCL) and oligo(omega-pentadecalactone) (OPDL) segments are biodegradable thermoplastic temperature-memory polymers. The temperature-memory capability in these polymers with crystallizable control units is implemented by a thermomechanical programming process causing alterations in the crystallite arrangement and chain organization. These morphological changes can potentially affect degradation. Initial observations on the macroscopic level inspire the hypothesis that switching of the controlling units causes an accelerated degradation of the material, resulting in programmable degradation by sequential coupling of functions. Hence, detailed degradation studies on Langmuir films of a PDLCL with 40 wt\% OPDL content are carried out under enzymatic catalysis. The temperature-memory creation procedure is mimicked by compression at different temperatures. The evolution of the chain organization and mechanical properties during the degradation process is investigated by means of polarization-modulated infrared reflection absorption spectroscopy, interfacial rheology and to some extend by X-ray reflectivity. The experiments on PDLCL Langmuir films imply that degradability is not enhanced by thermal switching, as the former depends on the temperature during cold programming. Nevertheless, the thin film experiments show that the leaching of OCL segments does not induce further crystallization of the OPDL segments, which is beneficial for a controlled and predictable degradation.}, language = {en} } @misc{HeinickerLikavcanLin2019, author = {Heinicker, Paul and Likavcan, Lukas and Lin, Qiao}, title = {alt'ai: designing machine-to-machine interfaces for automated landscapes}, publisher = {Association for Computing Machinery}, address = {New York}, isbn = {978-1-4503-6311-2}, doi = {10.1145/3306211.3320146}, pages = {6}, year = {2019}, abstract = {alt'ai is an agent-based simulation inspired by aesthetics, culture and environmental conditions of the Altai mountain region on the borders between Russia, Kazakhstan, China and Mongolia. It is set into a scenario of a remote automated landscape populated by sentient machines, where biological species, machines and environments autonomously interact to produce unforeseeable visual outputs. It poses a question of designing future machine-to-machine authentication protocols that are based on the use of images encoding agent behavior. Also, the simulation provides rich visual perspective on this challenge. The project pleads for a heavily aestheticized approach to design practice and highlights the importance of productively inefficient and information redundant systems.}, language = {en} } @phdthesis{Hecher2021, author = {Hecher, Markus}, title = {Advanced tools and methods for treewidth-based problem solving}, doi = {10.25932/publishup-51251}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-512519}, school = {Universit{\"a}t Potsdam}, pages = {xv, 184}, year = {2021}, abstract = {In the last decades, there was a notable progress in solving the well-known Boolean satisfiability (Sat) problem, which can be witnessed by powerful Sat solvers. One of the reasons why these solvers are so fast are structural properties of instances that are utilized by the solver's interna. This thesis deals with the well-studied structural property treewidth, which measures the closeness of an instance to being a tree. In fact, there are many problems parameterized by treewidth that are solvable in polynomial time in the instance size when parameterized by treewidth. In this work, we study advanced treewidth-based methods and tools for problems in knowledge representation and reasoning (KR). Thereby, we provide means to establish precise runtime results (upper bounds) for canonical problems relevant to KR. Then, we present a new type of problem reduction, which we call decomposition-guided (DG) that allows us to precisely monitor the treewidth when reducing from one problem to another problem. This new reduction type will be the basis for a long-open lower bound result for quantified Boolean formulas and allows us to design a new methodology for establishing runtime lower bounds for problems parameterized by treewidth. Finally, despite these lower bounds, we provide an efficient implementation of algorithms that adhere to treewidth. Our approach finds suitable abstractions of instances, which are subsequently refined in a recursive fashion, and it uses Sat solvers for solving subproblems. It turns out that our resulting solver is quite competitive for two canonical counting problems related to Sat.}, language = {en} } @article{AltenburgGieseWangetal.2022, author = {Altenburg, Tom and Giese, Sven Hans-Joachim and Wang, Shengbo and Muth, Thilo and Renard, Bernhard Y.}, title = {Ad hoc learning of peptide fragmentation from mass spectra enables an interpretable detection of phosphorylated and cross-linked peptides}, series = {Nature machine intelligence}, volume = {4}, journal = {Nature machine intelligence}, number = {4}, publisher = {Springer Nature Publishing}, address = {London}, issn = {2522-5839}, doi = {10.1038/s42256-022-00467-7}, pages = {378 -- 388}, year = {2022}, abstract = {Fragmentation of peptides leaves characteristic patterns in mass spectrometry data, which can be used to identify protein sequences, but this method is challenging for mutated or modified sequences for which limited information exist. Altenburg et al. use an ad hoc learning approach to learn relevant patterns directly from unannotated fragmentation spectra. Mass spectrometry-based proteomics provides a holistic snapshot of the entire protein set of living cells on a molecular level. Currently, only a few deep learning approaches exist that involve peptide fragmentation spectra, which represent partial sequence information of proteins. Commonly, these approaches lack the ability to characterize less studied or even unknown patterns in spectra because of their use of explicit domain knowledge. Here, to elevate unrestricted learning from spectra, we introduce 'ad hoc learning of fragmentation' (AHLF), a deep learning model that is end-to-end trained on 19.2 million spectra from several phosphoproteomic datasets. AHLF is interpretable, and we show that peak-level feature importance values and pairwise interactions between peaks are in line with corresponding peptide fragments. We demonstrate our approach by detecting post-translational modifications, specifically protein phosphorylation based on only the fragmentation spectrum without a database search. AHLF increases the area under the receiver operating characteristic curve (AUC) by an average of 9.4\% on recent phosphoproteomic data compared with the current state of the art on this task. Furthermore, use of AHLF in rescoring search results increases the number of phosphopeptide identifications by a margin of up to 15.1\% at a constant false discovery rate. To show the broad applicability of AHLF, we use transfer learning to also detect cross-linked peptides, as used in protein structure analysis, with an AUC of up to 94\%.}, language = {en} } @article{ScheibelTrappLimbergeretal.2020, author = {Scheibel, Willy and Trapp, Matthias and Limberger, Daniel and D{\"o}llner, J{\"u}rgen Roland Friedrich}, title = {A taxonomy of treemap visualization techniques}, series = {Science and Technology Publications}, journal = {Science and Technology Publications}, publisher = {Springer}, address = {Berlin}, pages = {8}, year = {2020}, abstract = {A treemap is a visualization that has been specifically designed to facilitate the exploration of tree-structured data and, more general, hierarchically structured data. The family of visualization techniques that use a visual metaphor for parent-child relationships based "on the property of containment" (Johnson, 1993) is commonly referred to as treemaps. However, as the number of variations of treemaps grows, it becomes increasingly important to distinguish clearly between techniques and their specific characteristics. This paper proposes to discern between Space-filling Treemap TS, Containment Treemap TC, Implicit Edge Representation Tree TIE, and Mapped Tree TMT for classification of hierarchy visualization techniques and highlights their respective properties. This taxonomy is created as a hyponymy, i.e., its classes have an is-a relationship to one another: TS TC TIE TMT. With this proposal, we intend to stimulate a discussion on a more unambiguous classification of treemaps and, furthermore, broaden what is understood by the concept of treemap itself.}, language = {en} } @misc{ScheibelTrappLimbergeretal.2020, author = {Scheibel, Willy and Trapp, Matthias and Limberger, Daniel and D{\"o}llner, J{\"u}rgen Roland Friedrich}, title = {A taxonomy of treemap visualization techniques}, series = {Postprints der Universit{\"a}t Potsdam : Reihe der Digital Engineering Fakult{\"a}t}, journal = {Postprints der Universit{\"a}t Potsdam : Reihe der Digital Engineering Fakult{\"a}t}, number = {8}, doi = {10.25932/publishup-52469}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-524693}, pages = {10}, year = {2020}, abstract = {A treemap is a visualization that has been specifically designed to facilitate the exploration of tree-structured data and, more general, hierarchically structured data. The family of visualization techniques that use a visual metaphor for parent-child relationships based "on the property of containment" (Johnson, 1993) is commonly referred to as treemaps. However, as the number of variations of treemaps grows, it becomes increasingly important to distinguish clearly between techniques and their specific characteristics. This paper proposes to discern between Space-filling Treemap TS, Containment Treemap TC, Implicit Edge Representation Tree TIE, and Mapped Tree TMT for classification of hierarchy visualization techniques and highlights their respective properties. This taxonomy is created as a hyponymy, i.e., its classes have an is-a relationship to one another: TS TC TIE TMT. With this proposal, we intend to stimulate a discussion on a more unambiguous classification of treemaps and, furthermore, broaden what is understood by the concept of treemap itself.}, language = {en} } @article{KabothBahrBahrZeedenetal.2021, author = {Kaboth-Bahr, Stefanie and Bahr, Andr{\´e} and Zeeden, Christian and Yamoah, Kweku A. and Lone, Mahjoor Ahmad and Chuang, Chih-Kai and L{\"o}wemark, Ludvig and Wei, Kuo-Yen}, title = {A tale of shifting relations}, series = {Scientific Reports}, volume = {11}, journal = {Scientific Reports}, publisher = {Macmillan Publishers Limited, part of Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-021-85444-7}, pages = {10}, year = {2021}, abstract = {Understanding the dynamics between the East Asian summer (EASM) and winter monsoon (EAWM) is needed to predict their variability under future global warming scenarios. Here, we investigate the relationship between EASM and EAWM as well as the mechanisms driving their variability during the last 10,000 years by stacking marine and terrestrial (non-speleothem) proxy records from the East Asian realm. This provides a regional and proxy independent signal for both monsoonal systems. The respective signal was subsequently analysed using a linear regression model. We find that the phase relationship between EASM and EAWM is not time-constant and significantly depends on orbital configuration changes. In addition, changes in the Atlantic Meridional Overturning circulation, Arctic sea-ice coverage, El Ni{\~n}o-Southern Oscillation and Sun Spot numbers contributed to millennial scale changes in the EASM and EAWM during the Holocene. We also argue that the bulk signal of monsoonal activity captured by the stacked non-speleothem proxy records supports the previously argued bias of speleothem climatic archives to moisture source changes and/or seasonality.}, language = {en} } @misc{KabothBahrBahrZeedenetal.2021, author = {Kaboth-Bahr, Stefanie and Bahr, Andr{\´e} and Zeeden, Christian and Yamoah, Kweku A. and Lone, Mahjoor Ahmad and Chuang, Chih-Kai and L{\"o}wemark, Ludvig and Wei, Kuo-Yen}, title = {A tale of shifting relations}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, issn = {1866-8372}, doi = {10.25932/publishup-51573}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-515735}, pages = {12}, year = {2021}, abstract = {Understanding the dynamics between the East Asian summer (EASM) and winter monsoon (EAWM) is needed to predict their variability under future global warming scenarios. Here, we investigate the relationship between EASM and EAWM as well as the mechanisms driving their variability during the last 10,000 years by stacking marine and terrestrial (non-speleothem) proxy records from the East Asian realm. This provides a regional and proxy independent signal for both monsoonal systems. The respective signal was subsequently analysed using a linear regression model. We find that the phase relationship between EASM and EAWM is not time-constant and significantly depends on orbital configuration changes. In addition, changes in the Atlantic Meridional Overturning circulation, Arctic sea-ice coverage, El Ni{\~n}o-Southern Oscillation and Sun Spot numbers contributed to millennial scale changes in the EASM and EAWM during the Holocene. We also argue that the bulk signal of monsoonal activity captured by the stacked non-speleothem proxy records supports the previously argued bias of speleothem climatic archives to moisture source changes and/or seasonality.}, language = {en} }