186 results on '"Simon Müller"'
Search Results
2. Dermatology teaching for undergraduate medical students in clinical routine – a structured four-week curriculum
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Tobias Kliesener, Madeleine Jandek, Alexander Navarini, Oliver Brandt, and Simon Müller
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Undergraduate medical student ,Medical education ,Dermatology ,Teaching ,Curriculum ,Generation Y ,Special aspects of education ,LC8-6691 ,Medicine - Abstract
Abstract Background Dermatology teaching is fundamental for the promotion of young colleagues in our specialty. However, traditional teaching methods are being scrutinized by students of the ‘Generation Y and Z’, which can pose new challenges for teaching institutions. We therefore aimed to assess the motivational impact and reception of a newly created four-week curriculum containing modernized teaching methods integrated into clinical routine. Methods In this single-center study, 67 medical students completed this curriculum composed of weekly learning objectives including knowledge of morphological terms, 10 common dermatoses, communication and presentation skills. The participants provided information on their level of interest in dermatology each week as well as positive and negative aspects of the curriculum. Results During the curriculum a significant median increase in interest in dermatology was reported with no differences between the genders. Low initial interest could be improved, high initial interest maintained. Participants with an interest in scientific work (20.9%) were more motivated during the curriculum. The variety, quality of teaching and structure were the main aspects rated positively. Suggestions for improvement included the need for more teaching by senior doctors, transfer of responsibility, and a working environment updated to the latest technology standards. Conclusion The presented curriculum was well received by the participants and allowed to better define learning preferences of new generations which can be helpful to modernize traditional teaching methods. Interest in scientific work could be a factor to identify students with a particularly strong interest in dermatology.
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- 2024
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3. Investigation of a Camera-Based Contactless Pulse Oximeter with Time-Division Multiplex Illumination Applied on Piglets for Neonatological Applications
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René Thull, Sybelle Goedicke-Fritz, Daniel Schmiech, Aly Marnach, Simon Müller, Christina Körbel, Matthias W. Laschke, Erol Tutdibi, Nasenien Nourkami-Tutdibi, Elisabeth Kaiser, Regine Weber, Michael Zemlin, and Andreas R. Diewald
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optical sensors ,nonlinear dynamical systems ,image sensors ,biomedical signal processing ,biomedical monitoring ,in vivo ,Biotechnology ,TP248.13-248.65 - Abstract
(1) Objective: This study aims to lay a foundation for noncontact intensive care monitoring of premature babies. (2) Methods: Arterial oxygen saturation and heart rate were measured using a monochrome camera and time-division multiplex controlled lighting at three different wavelengths (660 nm, 810 nm and 940 nm) on a piglet model. (3) Results: Using this camera system and our newly designed algorithm for further analysis, the detection of a heartbeat and the calculation of oxygen saturation were evaluated. In motionless individuals, heartbeat and respiration were separated clearly during light breathing and with only minor intervention. In this case, the mean difference between noncontact and contact saturation measurements was 0.7% (RMSE = 3.8%, MAE = 2.93%). (4) Conclusions: The new sensor was proven effective under ideal animal experimental conditions. The results allow a systematic improvement for the further development of contactless vital sign monitoring systems. The results presented here are a major step towards the development of an incubator with noncontact sensor systems for use in the neonatal intensive care unit.
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- 2024
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4. TOI-4201: An Early M Dwarf Hosting a Massive Transiting Jupiter Stretching Theories of Core Accretion
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Megan Delamer, Shubham Kanodia, Caleb I. Cañas, Simon Müller, Ravit Helled, Andrea S. J. Lin, Jessica E. Libby-Roberts, Arvind F. Gupta, Suvrath Mahadevan, Johanna Teske, R. Paul Butler, Samuel W. Yee, Jeffrey D. Crane, Stephen Shectman, David Osip, Yuri Beletsky, Andrew Monson, Leslie Hebb, Luke C. Powers, John P. Wisniewski, Jaime A. Alvarado-Montes, Chad F. Bender, Jiayin Dong, Te Han, Joe P. Ninan, Paul Robertson, Arpita Roy, Christian Schwab, Guđmundur Stefánsson, and Jason T. Wright
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Exoplanet detection methods ,Exoplanet astronomy ,Exoplanet formation ,Exoplanets ,Radial velocity ,Transit photometry ,Astrophysics ,QB460-466 - Abstract
We confirm TOI-4201 b as a transiting Jovian-mass planet orbiting an early M dwarf discovered by the Transiting Exoplanet Survey Satellite. Using ground-based photometry and precise radial velocities from NEID and the Planet Finder Spectrograph, we measure a planet mass of ${2.59}_{-0.06}^{+0.07}$ M _J , making this one of the most massive planets transiting an M dwarf. The planet is ∼0.4% of the mass of its 0.63 M _⊙ host and may have a heavy-element mass comparable to the total dust mass contained in a typical class II disk. TOI-4201 b stretches our understanding of core accretion during the protoplanetary phase and the disk mass budget, necessitating giant planet formation to take place either much earlier in the disk lifetime or perhaps through alternative mechanisms like gravitational instability.
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- 2024
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5. Stratospheric ozone depletion in the Antarctic region triggers intense changes in sea salt aerosol geochemistry
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Sérgio J. Gonçalves Jr, Heitor Evangelista, Johannes Weis, Tristan H. Harder, Swarup China, Simon Müller, Magdalena M. Marques, Newton de Magalhães Neto, Heber R. Passos, Marcelo Sampaio, Jefferson C. Simões, Bruno Vinícius Ximenes de Oliveira, Carlos I. Yamamoto, Alexander Laskin, Mary K. Gilles, and Ricardo H. M. Godoi
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Geology ,QE1-996.5 ,Environmental sciences ,GE1-350 - Abstract
Molecular analysis of atmospheric microparticles in West Antarctica reveals chlorine-enriched aerosols are abundant in sea salt generated by photolytic products, while ice core records suggest increasing chlorine depletion since the onset of stratospheric ozone reduction.
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- 2023
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6. Acceptance of Telemedicine Compared to In-Person Consultation From the Providers' and Users’ Perspectives: Multicenter, Cross-Sectional Study in Dermatology
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Lara Valeska Maul, Anna Sophie Jahn, Gustavo S P Pamplona, Markus Streit, Lorena Gantenbein, Simon Müller, Mia-Louise Nielsen, Christian Greis, Alexander A Navarini, and Julia-Tatjana Maul
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Dermatology ,RL1-803 - Abstract
BackgroundTeledermatology is currently finding its place in modern health care worldwide as a rapidly evolving field. ObjectiveThe aim of this study was to investigate the acceptance of teledermatology compared to in-person consultation from the perspective of patients and professionals. MethodsThis multicenter, cross-sectional pilot study was performed at secondary and tertiary referral centers of dermatology in Switzerland from August 2019 to January 2020. A customized questionnaire addressing demographics and educational data, experience with telemedicine, and presumed willingness to replace in-patient consultations with teledermatology was completed by dermatological patients, dermatologists, and health care workers in dermatology. ResultsAmong a total of 664 participants, the ones with previous telemedicine experience (171/664, 25.8%) indicated a high level of overall experience with it (patients: 73/106, 68.9%, dermatologists: 6/8, 75.0%, and health care workers: 27/34, 79.4%). Patients, dermatologists, and health care workers were most likely willing to replace in-person consultations with teledermatology for minor health issues (353/512, 68.9%; 37/45, 82.2%; and 89/107, 83.2%, respectively). We observed a higher preference for telemedicine among individuals who have already used telemedicine (patients: P
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- 2023
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7. Can Jupiter’s Atmospheric Metallicity Be Different from the Deep Interior?
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Simon Müller and Ravit Helled
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Solar system gas giant planets ,Jupiter ,Planetary interior ,Planetary structure ,Planetary atmospheres ,Planetary science ,Astrophysics ,QB460-466 - Abstract
Updated formation and structure models of Jupiter predict a metal-poor envelope. This is at odds with the two to three times solar metallicity measured by the Galileo probe. Additionally, Juno data imply that water and ammonia are enriched. Here, we explore whether Jupiter could have a deep radiative layer separating the atmosphere from the deeper interior. The radiative layer could be caused by a hydrogen-transparency window or depletion of alkali metals. We show that heavy-element accretion during Jupiter’s evolution could lead to the desired atmospheric enrichment and that this configuration would be stable over billions of years. The origin of the heavy elements could be cumulative small impacts or one large impact. The preferred scenario requires a deep radiative zone, due to a local reduction of the opacity at ∼2000 K by ∼90%, which is supported by Juno data, and vertical mixing through the boundary with an efficiency similar to that of molecular diffusion ( D ≲ 10 ^−2 cm ^2 s ^−1 ). Therefore, most of Jupiter’s molecular envelope could have solar composition while its uppermost atmosphere is enriched with heavier elements. The enrichment likely originates from the accretion of solid objects. This possibility resolves the long-standing mismatch between Jupiter’s interior models and atmospheric composition measurements. Furthermore, our results imply that the measured atmospheric composition of exoplanets does not necessarily reflect their bulk compositions. We also investigate whether the enrichment could be due to the erosion of a dilute core and show that this is highly unlikely. The core-erosion scenario is inconsistent with evolution calculations, the deep radiative layer, and published interior models.
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- 2024
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8. Searching for Giant Exoplanets around M-dwarf Stars (GEMS) I: Survey Motivation
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Shubham Kanodia, Caleb I. Cañas, Suvrath Mahadevan, Eric B. Ford, Ravit Helled, Dana E. Anderson, Alan Boss, William D. Cochran, Megan Delamer, Te Han, Jessica E. Libby-Roberts, Andrea S. J. Lin, Simon Müller, Paul Robertson, Gumundur Stefánsson, and Johanna Teske
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Exoplanet astronomy ,Exoplanet formation ,Exoplanet detection methods ,Radial velocity ,Transit photometry ,Astronomy ,QB1-991 - Abstract
Recent discoveries of transiting giant exoplanets around M-dwarf stars (GEMS), aided by the all-sky coverage of TESS, are starting to stretch theories of planet formation through the core-accretion scenario. Recent upper limits on their occurrence suggest that they decrease with lower stellar masses, with fewer GEMS around lower-mass stars compared to solar-type. In this paper, we discuss existing GEMS both through confirmed planets, as well as protoplanetary disk observations, and a combination of tests to reconcile these with theoretical predictions. We then introduce the Searching for GEMS survey, where we utilize multidimensional nonparameteric statistics to simulate hypothetical survey scenarios to predict the required sample size of transiting GEMS with mass measurements to robustly compare their bulk-density with canonical hot Jupiters orbiting FGK stars. Our Monte Carlo simulations predict that a robust comparison requires about 40 transiting GEMS (compared to the existing sample of ∼15) with 5 σ mass measurements. Furthermore, we discuss the limitations of existing occurrence estimates for GEMS and provide a brief description of our planned systematic search to improve the occurrence rate estimates for GEMS.
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- 2024
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9. Methodology to Evaluate the Performance of Portable Photogrammetry for Large-Volume Metrology
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Pablo Puerto, Daniel Heißelmann, Simon Müller, and Alberto Mendikute
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large-volume metrology (LVM) ,portable photogrammetry ,path planning ,inline measurement ,Electronic computers. Computer science ,QA75.5-76.95 ,Applied mathematics. Quantitative methods ,T57-57.97 - Abstract
The increased relevance of large-volume metrology (LVM) in industrial applications entails certain challenges: measurements must be cost-efficient and the technologies must be easy to use while ensuring accuracy and reliability. Portable photogrammetry shows great potential to overcome such challenges, but industrial users do not yet rely on its accuracy for large scenarios (3 to 64 m), especially when mass-market cameras are not conceived of as industrial metrology instruments. Furthermore, the measurement results might also depend on the operator’s skills and knowledge of the key process variables. In this work, a methodology was designed so that the measurement uncertainty of portable photogrammetry can be evaluated under controlled conditions for LVM. To do so, PTB’s reference wall, which was designed to assess laser-based methods applied to large volumes, was used as a reference artefact to study the measurement performance under different conditions, enabling an analysis of the relative influence of two process variables: the spatial arrangement of the optical instruments on the scene, and the relative camera poses for an accurate triangulation. According to these variables, different measuring conditions were designed (Monte Carlo analysis), and experimentally evaluated and reported (LME, length measuring errors), analysing the performance figures expected from both unskilled and expert users.
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- 2022
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10. Warm giant exoplanet characterisation: current state, challenges and outlook
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Simon Müller and Ravit Helled
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planets and satellites: gaseous planets ,formation ,evolution ,interiors ,composition ,characterisation ,Astronomy ,QB1-991 ,Geophysics. Cosmic physics ,QC801-809 - Abstract
The characterisation of giant exoplanets is crucial to constrain giant planet formation and evolution theory and for putting the solar-system’s giant planets in perspective. Typically, mass-radius (M-R) measurements of moderately irradiated warm Jupiters are used to estimate the planetary bulk composition, which is an essential quantity for constraining giant planet formation, evolution and structure models. The successful launch of the James Webb Space Telescope (JWST) and the upcoming ARIEL mission open a new era in giant exoplanet characterisation as atmospheric measurements provide key information on the composition and internal structure of giant exoplanets. In this review, we discuss how giant planet evolution models are used to infer the planetary bulk composition, and the connection between the compositions of the interior and atmosphere. We identify the important theoretical uncertainties in evolution models including the equations of state, atmospheric models, chemical composition, interior structure and main energy transport processes. Nevertheless, we show that atmospheric measurements by JWST and ARIEL and the accurate determination of stellar ages by PLATO can significantly reduce the degeneracy in the inferred bulk composition. Furthermore, we discuss the importance of evolution models for the characterisation of direct-imaged planets. We conclude that giant planet theory has a critical role in the interpretation of observation and emphasise the importance of advancing giant planet theory.
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- 2023
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11. HDLBP binds ER-targeted mRNAs by multivalent interactions to promote protein synthesis of transmembrane and secreted proteins
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Ulrike Zinnall, Miha Milek, Igor Minia, Carlos H. Vieira-Vieira, Simon Müller, Guido Mastrobuoni, Orsalia-Georgia Hazapis, Simone Del Giudice, David Schwefel, Nadine Bley, Franka Voigt, Jeffrey A. Chao, Stefan Kempa, Stefan Hüttelmaier, Matthias Selbach, and Markus Landthaler
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Science - Abstract
RNA binding protein HDLBP (or Vigilin) localizes in the endoplasmic reticulum (ER) membrane. Here the authors show that HDLBP contributes to translation of ER-targeted mRNAs.
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- 2022
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12. A video-based analysis of situations bearing the risk of respiratory disease transmission during football matches
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Oliver Faude, Simon Müller, Sebastian Schreiber, Jonas Müller, Lukas Nebiker, Florian Beaudouin, Tim Meyer, and Florian Egger
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Medicine ,Science - Abstract
Abstract We aimed to analyze the number and type of contacts involving the risk of respiratory disease transmission during football match play. We analysed 50 matches from different playing levels. Two reviewers evaluated the contacts of all players in each match. We focused on between-player contacts, crowding, actions with potentially increased aerosol and droplet production and within-player hand-to-head contacts. We categorized the duels with direct contact into frontal and other ones and measured contact duration. The number of between-player contacts were similar between playing levels (median 28.3 [IQR 22.6, 33] contacts per player-hour). Frontal contacts summed up to 8% of all contacts. Contacts involving the head occurred less than once per player and match with none lasting longer than 3 s. Crowding included between two and six players and the duration was mostly less than 10 s. Aerosol and droplet producing activities were three to four times more frequent in adult compared to youth players. Our results suggest that the risk of respiratory pathogen transmission is low during football matches. This conclusion is based on the finding that most close contact situations are of short duration and on the fact that it is an outdoor sport.
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- 2022
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13. Deep learning-based segmentation of lithium-ion battery microstructures enhanced by artificially generated electrodes
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Simon Müller, Christina Sauter, Ramesh Shunmugasundaram, Nils Wenzler, Vincent De Andrade, Francesco De Carlo, Ender Konukoglu, and Vanessa Wood
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Science - Abstract
Accurate 3D representations of lithium-ion battery electrodes can help in understanding and ultimately improving battery performance. Here, the authors report a methodology for using deep-learning tools to reliably distinguish the different electrode material phases where standard approaches fail.
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- 2021
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14. Pulsed production of antihydrogen
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Claude Amsler, Massimiliano Antonello, Alexander Belov, Germano Bonomi, Roberto Sennen Brusa, Massimo Caccia, Antoine Camper, Ruggero Caravita, Fabrizio Castelli, Patrick Cheinet, Daniel Comparat, Giovanni Consolati, Andrea Demetrio, Lea Di Noto, Michael Doser, Mattia Fanì, Rafael Ferragut, Julian Fesel, Sebastian Gerber, Marco Giammarchi, Angela Gligorova, Lisa Theresa Glöggler, Francesco Guatieri, Stefan Haider, Alexander Hinterberger, Alban Kellerbauer, Olga Khalidova, Daniel Krasnický, Vittorio Lagomarsino, Chloé Malbrunot, Sebastiano Mariazzi, Viktor Matveev, Simon Müller, Giancarlo Nebbia, Patrick Nedelec, Lilian Nowak, Markus Oberthaler, Emmanuel Oswald, Davide Pagano, Luca Penasa, Vojtech Petracek, Luca Povolo, Francesco Prelz, Marco Prevedelli, Benjamin Rienäcker, Ole Røhne, Alberto Rotondi, Heidi Sandaker, Romualdo Santoro, Gemma Testera, Ingmari Tietje, Valerio Toso, Tim Wolz, Pauline Yzombard, Christian Zimmer, and Nicola Zurlo
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Astrophysics ,QB460-466 ,Physics ,QC1-999 - Abstract
Antihydrogen atoms are a unique type of antimatter that can be used to probe small violations of fundamental laws of physics. The authors present experimental results obtained with the AEgIS project at CERN for the production of antihydrogen atoms (Hbar) via charge exchange with laser excited positronium that allow for precise timing of Hbar production.
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- 2021
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15. Critical incident reporting over time: a retrospective, descriptive analysis of 5493 cases
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Christoph Jäger, Giulia Mohr, Ken Gökcimen, Alexander Navarini, René Schwendimann, and Simon Müller
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Medicine - Abstract
PURPOSE: As recommended by the WHO and many national healthcare authorities, health care institutions of most industrialised countries have employed a critical incident reporting system (CIRS). However, little is known about differences in critical incidents across clinical specialties, the use of CIRSs amongst different professional groups, the types, severity and risk of reoccurrence of critical incidents, their contributing factors and the preventive actions taken in response. METHODS: In this retrospective, descriptive study we critically reviewed all reports filed in the CIRS of our institution between 2013 and 2019 and analysed characteristics over time. RESULTS: Of the 5493 analysed incidents, the main types were related to medications (32.8%), clinical procedures (32.6%) or behaviour of employees (23.3%). Only 21.6% of reports were made by physicians, 51.3% were rated at least “high risk”. Major contributing factors were personal factors (44.0%), lack of training and knowledge (43.7%) and communication errors (36.1%). Most actions taken to prevent similar events aimed at improving communications (23.6%); in 46.3% no actions whatsoever were taken. Longitudinal analysis revealed that reporting increased in internal medicine and obstetrics but collapsed in laboratory medicine / microbiology. Steady increases in medication-type incidents as well as lack of training and knowledge as contributing factors were observed. CONCLUSION: This study revealed that the efferent loop (feedback, preventive actions taken) was the weakest part of the CIRS in our institution, indicating that no learning may have resulted from a large number of reports. In particular, the actions taken appeared to not adequately address the major contributing factors. This highlights that special attention must be paid to the efferent loop of a CIRS to fulfil the purpose of such a reporting system and ultimately to improve patient safety.
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- 2021
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16. Flexible heuristic algorithm for automatic molecule fragmentation: application to the UNIFAC group contribution model
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Simon Müller
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Molecule fragmentation ,Cheminformatics ,RDKit ,Property prediction ,Group contribution method ,UNIFAC ,Information technology ,T58.5-58.64 ,Chemistry ,QD1-999 - Abstract
Abstract A priori calculation of thermophysical properties and predictive thermodynamic models can be very helpful for developing new industrial processes. Group contribution methods link the target property to contributions based on chemical groups or other molecular subunits of a given molecule. However, the fragmentation of the molecule into its subunits is usually done manually impeding the fast testing and development of new group contribution methods based on large databases of molecules. The aim of this work is to develop strategies to overcome the challenges that arise when attempting to fragment molecules automatically while keeping the definition of the groups as simple as possible. Furthermore, these strategies are implemented in two fragmentation algorithms. The first algorithm finds only one solution while the second algorithm finds all possible fragmentations. Both algorithms are tested to fragment a database of 20,000+ molecules for use with the group contribution model Universal Quasichemical Functional Group Activity Coefficients (UNIFAC). Comparison of the results with a reference database shows that both algorithms are capable of successfully fragmenting all the molecules automatically. Furthermore, when applying them on a larger database it is shown, that the newly developed algorithms are capable of fragmenting structures previously thought not possible to fragment.
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- 2019
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17. Combinatorial recognition of clustered RNA elements by the multidomain RNA-binding protein IMP3
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Tim Schneider, Lee-Hsueh Hung, Masood Aziz, Anna Wilmen, Stephanie Thaum, Jacqueline Wagner, Robert Janowski, Simon Müller, Silke Schreiner, Peter Friedhoff, Stefan Hüttelmaier, Dierk Niessing, Michael Sattler, Andreas Schlundt, and Albrecht Bindereif
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Science - Abstract
Multidomain RNA-binding proteins recognize specific target sequences through mechanisms that are not well understood. Here the authors present an integrated approach to define the RNA-binding specificity and RNP topology and apply it to the analysis of the prototypical multidomain RNA-binding protein IMP3.
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- 2019
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18. Seafloor Methane Seepage Related to Salt Diapirism in the Northwestern Part of the German North Sea
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Miriam Römer, Martin Blumenberg, Katja Heeschen, Stefan Schloemer, Hendrik Müller, Simon Müller, Christian Hilgenfeldt, Udo Barckhausen, and Katrin Schwalenberg
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gas emissions ,flares ,hydroacoustic mapping ,subsurface gas indications ,North Sea ,salt diapirism ,Science - Abstract
This study focuses on seafloor methane seep sites and their distribution in the northwestern part of the German North Sea. Methane seepage is a common phenomenon along marine shelves and known to occur in the North Sea, but proof of their existence was lacking in the study area. Using a ship-based multibeam echosounder we detected a minimum of 166 flares that are indicative for free gas releases from the seafloor in the German “Entenschnabel” area, which are not related to morphologic expressions at the seafloor. However, a group of small depressions was detected lacking water column anomalies but with indications of dissolved fluid release. Spatial analysis revealed that flares were not randomly distributed but show a relation to locations of subsurface salt diapirs. More than 60% of all flares were found in the vicinity of the salt diapir “Berta”. Dissolved methane concentrations of ∼100 nM in bottom waters were ten times the background value in the “Entenschnabel” area (CH4 < 10 nM), supporting the finding of enhanced seepage activity in this part of our study area. Furthermore, locations of flares were often related to acoustic blanking and high amplitude reflections in sediment profiler echograms, most prominently observed at location Berta. These hydroacoustic signatures are interpreted to result from increased free gas concentrations in the sediments. Electromagnetic seabed mapping depicts local sediment conductivity anomalies below a flare cluster at Berta, which can be explained by small amounts of free gas in the sediment. In our area of interest, ten abandoned well sites were included in our mapping campaign, but flare observations were spatially not related to these wells. Naturally seeping methane is presumably transported to the seafloor along sub-vertical faults, which have formed concurrently to the updoming salt. Due to the shallow water depths of 30 to 50 m in the study area, flares were observed to reach close to the sea surface and a slight oversaturation of surface waters with methane in the flare-rich northeastern part of the working area indicates that part of the released methane through seepage may contribute to the atmospheric inventory.
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- 2021
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19. Ecophysiological and Cell Biological Traits of Benthic Diatoms From Coastal Wetlands of the Southern Baltic Sea
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Lara R. Prelle, Martin Albrecht, Ulf Karsten, Pauline Damer, Tabea Giese, Jessica Jähns, Simon Müller, Louisa Schulz, Lennard Viertel, and Karin Glaser
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growth rate ,photosynthesis ,respiration ,salinity ,temperature ,lipids ,Microbiology ,QR1-502 - Abstract
The German Baltic Sea coastline is characterized by sea-land transitions zones, specifically coastal peatlands. Such transition zones exhibit highly fluctuating environmental parameters and dynamic gradients that affect physiological processes of inhabiting organisms such as microphytobenthic communities. In the present study four representative and abundant benthic diatom strains [Melosira nummuloides, Nitzschia filiformis, Planothidium sp. (st. 1) and Planothidium sp. (st.2)] were isolated from a Baltic Sea beach and three peatlands that are irregularly affected by Baltic Sea water intrusion. Ecophysiological and cell biological traits of the strains were investigated for the first time as function of light, temperature and salinity. The four strains exhibited euryhaline growth over a range of 1–39 SA, surpassing in situ salinity of the respective brackish habitats. Furthermore, they showed eurythermal growth over a temperature range from 5 to 30°C with an optimum temperature between 15 and 20°C. Growth rates did not exhibit any differences between the peatland and Baltic Sea strains. The photosynthetic temperature optimum of the peatland diatom isolates, however, was much higher (20–35°C) compared to the Baltic Sea one (10°C). All strains exhibited light saturation points ranging between 29.8 and 72.6 μmol photons m–2 s–1. The lipid content did not change in response to the tested abiotic factors. All data point to wide physiological tolerances in these benthic diatoms along the respective sea-land transitions zones. This study could serve as a baseline for future studies on microphytobenthic communities and their key functions, like primary production, under fluctuating environmental stressors along terrestrial-marine gradients.
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- 2021
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20. IGF2BP1, a Conserved Regulator of RNA Turnover in Cancer
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Markus Glaß, Danny Misiak, Nadine Bley, Simon Müller, Sven Hagemann, Bianca Busch, Alexander Rausch, and Stefan Hüttelmaier
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IGF2BP1 ,cancer ,E2F ,AURKA ,HDLBP ,YWHAZ ,Biology (General) ,QH301-705.5 - Abstract
The oncofetal IGF2 mRNA-binding protein 1 (IGF2BP1) promotes tumor progression in a variety of solid tumors and its expression is associated with adverse prognosis. The main role proposed for IGF2BP1 in cancer cells is the stabilization of mRNAs encoding pro-oncogenic factors. Several IGF2BP1-RNA association studies, however, revealed a plethora of putative IGF2BP1-RNA targets. Thus, at present the main conserved target RNAs and pathways controlled by IGF2BP1 in cancer remain elusive. In this study, we present a set of genes and cancer hallmark pathways showing a conserved pattern of deregulation in dependence of IGF2BP1 expression in cancer cell lines. By the integrative analysis of these findings with publicly available cancer transcriptome and IGF2BP1-RNA association data, we compiled a set of prime candidate target mRNAs. These analyses confirm a pivotal role of IGF2BP1 in controlling cancer cell cycle progression and reveal novel cancer hallmark pathways influenced by IGF2BP1. For three novel target mRNAs identified by these studies, namely AURKA, HDLBP and YWHAZ, we confirm IGF2BP1 mRNA stabilization. In sum our findings confirm and expand previous findings on the pivotal role of IGF2BP1 in promoting oncogenic gene expression by stabilizing target mRNAs in a mainly 3’UTR, m6A-, miRNA-, and potentially AU-rich element dependent manner.
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- 2021
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21. Quantification and modeling of mechanical degradation in lithium-ion batteries based on nanoscale imaging
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Simon Müller, Patrick Pietsch, Ben-Elias Brandt, Paul Baade, Vincent De Andrade, Francesco De Carlo, and Vanessa Wood
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Science - Abstract
Silicon is a promising electrode material for lithium-ion batteries; however, morphological changes shorten battery lifetimes. Here the authors use imaging techniques based on electrons and X-rays to quantify such processes at micro- and nanoscales and suggest routes to mitigate battery degradation.
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- 2018
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22. Musashi–1—A Stemness RBP for Cancer Therapy?
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Nadine Bley, Ali Hmedat, Simon Müller, Robin Rolnik, Alexander Rausch, Marcell Lederer, and Stefan Hüttelmaier
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RNA–binding protein ,musashi–1 ,MSI1 ,stemness ,cancer ,cell cycle ,Biology (General) ,QH301-705.5 - Abstract
The RNA–binding protein Musashi–1 (MSI1) promotes stemness during development and cancer. By controlling target mRNA turnover and translation, MSI1 is implicated in the regulation of cancer hallmarks such as cell cycle or Notch signaling. Thereby, the protein enhanced cancer growth and therapy resistance to standard regimes. Due to its specific expression pattern and diverse functions, MSI1 represents an interesting target for cancer therapy in the future. In this review we summarize previous findings on MSI1′s implications in developmental processes of other organisms. We revisit MSI1′s expression in a set of solid cancers, describe mechanistic details and implications in MSI1 associated cancer hallmark pathways and highlight current research in drug development identifying the first MSI1–directed inhibitors with anti–tumor activity.
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- 2021
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23. Oncogenic Potential of the Dual-Function Protein MEX3A
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Marcell Lederer, Simon Müller, Markus Glaß, Nadine Bley, Christian Ihling, Andrea Sinz, and Stefan Hüttelmaier
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MEX3A ,oncofetal ,cancer ,KH domain ,RNA binding ,RING domain ,Biology (General) ,QH301-705.5 - Abstract
MEX3A belongs to the MEX3 (Muscle EXcess) protein family consisting of four members (MEX3A-D) in humans. Characteristic for MEX3 proteins is their domain structure with 2 HNRNPK homology (KH) domains mediating RNA binding and a C-terminal really interesting new gene (RING) domain that harbors E3 ligase function. In agreement with their domain composition, MEX3 proteins were reported to modulate both RNA fate and protein ubiquitination. MEX3 paralogs exhibit an oncofetal expression pattern, they are severely downregulated postnatally, and re-expression is observed in various malignancies. Enforced expression of MEX3 proteins in various cancers correlates with poor prognosis, emphasizing their oncogenic potential. The latter is supported by MEX3A’s impact on proliferation, self-renewal as well as migration of tumor cells in vitro and tumor growth in xenograft studies.
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- 2021
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24. Physicochemical Characterization and Simulation of the Solid–Liquid Equilibrium Phase Diagram of Terpene-Based Eutectic Solvent Systems
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Maha M. Abdallah, Simon Müller, Andrés González de Castilla, Pavel Gurikov, Ana A. Matias, Maria do Rosário Bronze, and Naiara Fernández
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deep eutectic solvents ,terpenes ,physical characterization ,simulation ,equilibrium phase diagram ,chemical interactions ,Organic chemistry ,QD241-441 - Abstract
The characterization of terpene-based eutectic solvent systems is performed to describe their solid–liquid phase transitions. Physical properties are measured experimentally and compared to computed correlations for deep eutectic solvents (DES) and the percentage relative error er for the density, surface tension, and refractive index is obtained. The thermodynamic parameters, including the degradation, glass transition and crystallization temperatures, are measured using DSC and TGA. Based on these data, the solid–liquid equilibrium phase diagrams are calculated for the ideal case and predictions are made using the semi-predictive UNIFAC and the predictive COSMO RS models, the latter with two different parametrization levels. For each system, the ideal, experimental, and predicted eutectic points are obtained. The deviation from ideality is observed experimentally and using the thermodynamic models for Thymol:Borneol and Thymol:Camphor. In contrast, a negative deviation is observed only experimentally for Menthol:Borneol and Menthol:Camphor. Moreover, the chemical interactions are analyzed using FTIR and 1H-NMR to study the intermolecular hydrogen bonding in the systems.
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- 2021
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25. Clinical Course and Long-Term Outcome of Hantavirus-Associated Nephropathia Epidemica, Germany
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Joerg Latus, Matthias Schwab, Evelina Tacconelli, Friedrich-Michael Pieper, Daniel Wegener, Juergen Dippon, Simon Müller, David Zakim, Stephan Segerer, Daniel Kitterer, Martin Priwitzer, Barbara Mezger, Birgit Walter-Frank, Angela Corea, Albrecht Wiedenmann, Stefan Brockmann, Christoph Pöhlmann, M. Dominik Alscher, and Niko Braun
- Subjects
Hantavirus ,PUUV ,Puumala virus ,nephropathia epidemica ,epidemic nephropathy ,long-term outcome ,Medicine ,Infectious and parasitic diseases ,RC109-216 - Abstract
Human infection with Puumala virus (PUUV), the most common hantavirus in Central Europe, causes nephropathia epidemica (NE), a disease characterized by acute kidney injury and thrombocytopenia. To determine the clinical phenotype of hantavirus-infected patients and their long-term outcome and humoral immunity to PUUV, we conducted a cross-sectional prospective survey of 456 patients in Germany with clinically and serologically confirmed hantavirus-associated NE during 2001–2012. Prominent clinical findings during acute NE were fever and back/limb pain, and 88% of the patients had acute kidney injury. At follow-up (7–35 mo), all patients had detectable hantavirus-specific IgG; 8.5% had persistent IgM; 25% had hematuria; 23% had hypertension (new diagnosis for 67%); and 7% had proteinuria. NE-associated hypertension and proteinuria do not appear to have long-term consequences, but NE-associated hematuria may. All patients in this study had hantavirus-specific IgG up to years after the infection.
- Published
- 2015
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26. Green Nail Syndrome (Pseudomonas aeruginosa Nail Infection): Two Cases Successfully Treated with Topical Nadifloxacin, an Acne Medication
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Simon Müller, Myriam Ebnöther, and Peter Itin
- Subjects
Green nail syndrome ,Pseudomonas aeruginosa nail infection ,Topical nadifloxacin ,Acne medication ,Dermatology ,RL1-803 - Abstract
Green nail syndrome (GNS) caused by Pseudomonas aeruginosa is the most common bacterial nail infection. The treatment of GNS is challenging in many cases and recommendations based on clinical trials are lacking. We report two cases with GNS successfully treated with off-label use of topical nadifloxacin, a fluoroquinolone approved for acne and bacterial skin infections in some countries.
- Published
- 2014
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- View/download PDF
27. 3D Assembly Group Analysis for Cognitive Automation
- Author
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Christian Brecher, Thomas Breitbach, Simon Müller, Marcel Ph. Mayer, Barbara Odenthal, Christopher M. Schlick, and Werner Herfs
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Mechanical engineering and machinery ,TJ1-1570 - Abstract
A concept that allows the cognitive automation of robotic assembly processes is introduced. An assembly cell comprised of two robots was designed to verify the concept. For the purpose of validation a customer-defined part group consisting of Hubelino bricks is assembled. One of the key aspects for this process is the verification of the assembly group. Hence a software component was designed that utilizes the Microsoft Kinect to perceive both depth and color data in the assembly area. This information is used to determine the current state of the assembly group and is compared to a CAD model for validation purposes. In order to efficiently resolve erroneous situations, the results are interactively accessible to a human expert. The implications for an industrial application are demonstrated by transferring the developed concepts to an assembly scenario for switch-cabinet systems.
- Published
- 2012
- Full Text
- View/download PDF
28. An Artificial Intelligence of Things based Method for Early Detection of Bark Beetle Infested Trees.
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Peter Knebel, Christian Appold, Marius Horbach, Yasmin Juncker, Rüdiger Machhamer, Simon Müller, and Alfons Matheis
- Published
- 2022
29. Development of a self-learning automotive comfort function: an adaptive gesture control with few-shot-learning.
- Author
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Marco Stang, Simon Stock, Simon Müller, Eric Sax, and Wilhelm Stork
- Published
- 2022
- Full Text
- View/download PDF
30. Closing the Theory-Practice Gap: Psychologically-Based Laboratory Course in Electrical Engineering.
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Eike Osmers, Emily Wilbrand, Thorsten A. Brinkmann, Simon Müller, and Andreas R. Diewald
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- 2020
- Full Text
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31. Fostering social inclusion in development-oriented digital food system interventions
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Steinke, Jonathan; Schumann, Charlotte; Langan, Simon; Müller, Anna; Opola, Felix Ouko; Ortiz-Crespo, Berta; van Etten, Jacob and Steinke, Jonathan; Schumann, Charlotte; Langan, Simon; Müller, Anna; Opola, Felix Ouko; Ortiz-Crespo, Berta; van Etten, Jacob
- Abstract
CONTEXT Digital innovations can enhance the participation of often-marginalized social groups – including women and resource-poor farmers in low- and middle-income countries – in sustainable, profitable food systems. But digital interventions can also reinforce existing inequities by further increasing the competitive advantage of user groups privileged with literacy, access to smartphones, or high investment capacity. To ensure that the digital transformation in the Global South leaves no one behind, therefore, deliberate efforts are needed to promote the inclusivity of emerging digital innovations. To date, however, there is a lack of practical guidelines and tools to critically assess, demonstrate, and enhance the inclusivity of digital food systems interventions. Too often, inclusivity remains a blurry concept and distant objective. In result, digital development researchers and practitioners have limited incentives for investing time and effort into safeguarding inclusivity.
- Published
- 2024
32. Colchicine – Renaissance of an 'ancient' drug
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Stephanie Marie Huber, Alexander Navarini, Oliver Brandt, and Simon Müller
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Dermatology - Published
- 2023
33. Colchicin – Renaissance eines 'uralten' Arzneimittels
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Stephanie Marie Huber, Alexander Navarini, Oliver Brandt, and Simon Müller
- Subjects
Dermatology - Published
- 2023
34. Leveraging Large Amounts of Weakly Supervised Data for Multi-Language Sentiment Classification.
- Author
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Jan Deriu, Aurélien Lucchi, Valeria De Luca, Aliaksei Severyn, Simon Müller, Mark Cieliebak, Thomas Hofmann, and Martin Jaggi
- Published
- 2017
- Full Text
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35. TopicThunder at SemEval-2017 Task 4: Sentiment Classification Using a Convolutional Neural Network with Distant Supervision.
- Author
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Simon Müller, Tobias Huonder, Jan Deriu, and Mark Cieliebak
- Published
- 2017
- Full Text
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36. Meta-omics profiling of full-scale groundwater rapid sand filters explains stratification of iron, ammonium and manganese removals
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Francesc Corbera-Rubio, Michele Laureni, Nienke Koudijs, Simon Müller, Theo van Alen, Frank Schoonenberg, Sebastian Lücker, Martin Pabst, Mark C.M. van Loosdrecht, and Doris van Halem
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Manganese ,Environmental Engineering ,Metaproteomics ,Ecological Modeling ,Ecological Microbiology ,Sand filter ,Pollution ,Waste Management and Disposal ,Groundwater ,Iron oxides ,Ammonium ,Water Science and Technology ,Civil and Structural Engineering - Abstract
Rapid sand filters (RSF) are an established and widely applied technology for groundwater treatment. Yet, the underlying interwoven biological and physical-chemical reactions controlling the sequential removal of iron, ammonia and manganese remain poorly understood. To resolve the contribution and interactions between the individual reactions, we studied two full-scale drinking water treatment plant configurations, namely (i) one dual-media (anthracite and quartz sand) filter and (ii) two single-media (quartz sand) filters in series.In situandex situactivity tests were combined with mineral coating characterization and metagenome-guided metaproteomics along the depth of each filter. Both plants exhibited comparable performances and process compartmentalization, with most of ammonium and manganese removal occurring only after complete iron depletion. Within each compartment, the homogeneity of the media coating and genome-based microbial composition highlighted the effect of backwashing on filter media mixing. In stark contrast, intra-compartment contaminant removal was highly stratified following decreasing substrate availability along the filter height. This apparent and long-standing conflict was resolved by quantifying the expressed proteome at different filter heights, revealing a consistent stratification of proteins catalysing ammonia oxidation and protein-based relative abundances of nitrifying genera. This implies that microorganisms adapt their protein pool to the available nutrient load at a faster rate than the backwash mixing frequency. Ultimately, these results show the unique and complementary potential of metaproteomics to understand metabolic adaptations and interactions in highly dynamic ecosystems.
- Published
- 2023
37. Deep Eutectic Solvents for the Enzymatic Synthesis of Sugar Esters:A Generalizable Strategy?
- Author
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Riccardo Semproli, Santiago Nahuel Chanquia, Jan Philipp Bittner, Simon Müller, Pablo Domínguez de María, Selin Kara, and Daniela Ubiali
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Renewable Energy, Sustainability and the Environment ,General Chemical Engineering ,Environmental Chemistry ,General Chemistry - Published
- 2023
38. Impact of extended long-range electrostatics on the correlation of liquid-liquid equilibria in aqueous ionic liquid systems
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Hugo Marques, Andrés González de Castilla, Simon Müller, and Irina Smirnova
- Subjects
Chemical Physics (physics.chem-ph) ,Statistical Mechanics (cond-mat.stat-mech) ,General Chemical Engineering ,Physics - Chemical Physics ,General Physics and Astronomy ,Soft Condensed Matter (cond-mat.soft) ,FOS: Physical sciences ,Physical and Theoretical Chemistry ,Computational Physics (physics.comp-ph) ,Condensed Matter - Soft Condensed Matter ,Physics - Computational Physics ,Condensed Matter - Statistical Mechanics - Abstract
Recently an improved long-range model for electrolyte solutions was developed that is applicable from infinite dilution to pure salt. This paper tests this claim for the first time applying it to the calculation of liquid-liquid equilibria for mixtures of different ionic liquids (ILs) and water. The conventional Pitzer-Debye-H\"uckel (PDH) equation is compared to two of its new, thermodynamically consistent extensions. Both development stages, the extended PDH term and the modified-extended PDH, account for concentration dependent mixture properties instead of using solvent properties. The latter one additionally introduces a modified parameter of closest approach which improves the overall performance of the model for high electrolyte concentrations in systems with variable or low permittivities. To account for the short-range interactions, these long-range models are coupled with the UNIversal QUAsi-Chemical (UNIQUAC) model. Three modeling strategies were tested for the short-range contribution. First, the UNIQUAC parameters were adjusted to each system individually, then the binary interaction parameters were the same for each binary interaction type for all the systems and lastly a linear function of the carbon number was used where possible. For all systems and all modeling strategies tested, the predictive performance increased from PDH to E-PDH and then to ME-PDH. Overall, an introduction of concentration dependent properties and the modification added to ME-PDH enhanced modeling performance when describing these systems, showing the general applicability of this novel long-range term.
- Published
- 2023
39. On the analogy between the restricted primitive model and capacitor circuits. Part II: A generalized Gibbs-Duhem consistent extension of the Pitzer-Debye-H\'uckel term with corrections for low and variable relative permittivity
- Author
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Andrés González de Castilla, Simon Müller, and Irina Smirnova
- Subjects
Chemical Physics (physics.chem-ph) ,Statistical Mechanics (cond-mat.stat-mech) ,FOS: Physical sciences ,Computational Physics (physics.comp-ph) ,Condensed Matter - Soft Condensed Matter ,Condensed Matter Physics ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials ,Physics - Chemical Physics ,Materials Chemistry ,Soft Condensed Matter (cond-mat.soft) ,Physical and Theoretical Chemistry ,Physics - Computational Physics ,Spectroscopy ,Condensed Matter - Statistical Mechanics - Abstract
We present a novel, thermodynamically consistent modification of the Pitzer-Debye-H\"uckel term and its extension for concentration dependent density, molar mass and relative permittivity. This extension is validated for ionic liquids by comparison with a reference model from the literature and, in contrast to similar extensions, also applied to conventional salts with small spherical ions in aqueous, mixed and non-aqueous solvents. The central novelty is the inclusion of a modified parameter of closest approach, which improves the overall qualitative performance of the Pitzer-Debye-H\"uckel term over the complete relative permittivity range. Gibbs-Duhem consistency is retained in the modified extension and sample calculations for aqueous [BMIM][BF4] and aqueous NaCl are provided. The novel, modified and extended term with concentration dependent properties is combined with the predictive COSMO-RS-ES model for the calculation of phase equilibria and activity coefficients in electrolytes with conventional salts. The performance of the COSMO-RS-ES model for predictions of salt solubility in fully non-aqueous media improves significantly upon introduction of concentration dependent properties within the long-range electrostatics. Modelling performance with the modified extended Pitzer-Debye-H\"uckel term outperforms modelling with the unmodified extension as well as with the conventional term with no extension. The correlated relative permittivity of the mixture is overestimated with respect to experimental values and kinetic depolarization effects provide a plausible explanation for this observation. Overall, our results support the consistent introduction of concentration dependent properties within the electrostatic theory in order to improve the modelling of electrolytes with particular emphasis on non-aqueous electrolytes.
- Published
- 2023
40. The Business Model DNA: Towards an Approach for Predicting Business Model Success.
- Author
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Markus Böhm 0001, Jörg Weking, Frank Fortunat, Simon Müller, Isabell M. Welpe, and Helmut Krcmar
- Published
- 2017
41. Association between allergic sensitization and intestinal parasite infection in schoolchildren in Gqeberha, South Africa
- Author
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Oliver Brandt, Benjamin Wegenstein, Ivan Müller, Danielle Smith, Siphesihle Nqweniso, Larissa Adams, Simon Müller, Rosa Randt, Uwe Pühse, Markus Gerber, Alexander A. Navarini, Jürg Utzinger, Niklaus D. Labhardt, Christian Schindler, and Cheryl Walter
- Subjects
South Africa ,Cross-Sectional Studies ,Pyroglyphidae ,Immunology ,Hypersensitivity ,Animals ,Humans ,Immunology and Allergy ,Allergens ,Child ,Skin Tests - Abstract
Background Inconsistent data exist regarding the influence of parasitic infection on the prevalence of allergic sensitization and disorders. Objective To investigate the impact of geohelminth and protozoan infections on sensitization patterns and allergic symptoms of children living in low-income communities in Gqeberha, South Africa. Methods In a cross-sectional study, 587 school children aged 8-12 years were recruited in June 2016 and screened for reactivity to common allergens by skin prick tests and for parasitic infections by stool tests. Additionally, questionnaires were completed to record allergic symptoms the children may have experienced. Results Positive SPT were found in 237/587 children (40.4%), about one third of whom were polysensitized. Sensitizations were most frequently detected against the house dust mites (HDM) Dermatophagoides spp . (31.9%) and Blomia tropicalis (21.0%). Infections with geohelminths ( Ascaris lumbricoides , Trichuris trichiura ) were found in 26.8% and protozoan infections ( Gardia lamblia , Cryptosporidia spp .) in 13.9% of study participants. Mixed logistic regression analyses revealed negative associations between parasite infection and sensitization to Blomia tropicalis (OR: 0.54, 95%CI 0.33-0.89) and to Dermatophagoides spp . (OR 0.65, 95%CI 0.43-0.96), and between protozoan infection and allergic sensitization to any aeroallergen, although these associations were not significant when adjusted for false discovery. Geohelminth infection and intensity of geohelminth infection were both associated with reduced risk of polysensitization (OR 0.41, 95%CI 0.21-0.86), and this association remained significant with adjustment for false discovery. Reported respiratory symptoms were associated with HDM sensitization (ORs from 1.54 to 2.48), but not with parasite infection. Conclusions and clinical relevance Our data suggest that geohelminth infection and high geohelminth infection intensity are associated with a reduced risk of polysensitization.
- Published
- 2022
42. Acceptance of telemedicine compared to in-person consultation from the providers and users’ perspectives: A multicenter, cross-sectional study in dermatology (Preprint)
- Author
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Lara Valeska Maul, Anna Sophie Jahn, Gustavo Santo Pedro Pamplona, Markus Streit, Lorena Gantenbein, Simon Müller, Ralph Braun, Christian Greis, Alexander A. Navarini, and Julia-Tatjana Maul
- Abstract
BACKGROUND Teledermatology is currently finding its place in modern healthcare worldwide. OBJECTIVE The aim of this study was to investigate the acceptance of teledermatology compared to in-person consultation from the perspective of patients and professionals. METHODS This multicenter, cross-sectional pilot study was performed at secondary and tertiary referral centers of Dermatology in Switzerland from August 2019 to January 2020. A customized questionnaire addressing demographics and educational data, experience with telemedicine and presumed willingness to replace in-patient consultations with teledermatology was completed by dermatological patients, dermatologists, and healthcare workers in dermatology. RESULTS Among a total of 664 participants, the ones with previous telemedicine experience (25.8%; 171/664) indicated a high level of satisfaction with it (patients: 68.9%, dermatologists: 75.0%, health care workers: 79.4%). Patients, dermatologists, and healthcare workers were most likely willing to replace in-person consultations with teledermatology for minor health issues (P = .029). We observed a higher preference for telemedicine among individuals who have already used telemedicine (patients: P < .001, dermatologists: P = .03, healthcare workers, P = .005), as well as among patients with higher educational levels (P = .003). CONCLUSIONS Our study indicates that the preference for teledermatology has high potential to increase over time since previous experience with telemedicine and a higher level of education was associated with a higher willingness to replace in-patient consultations with telemedicine. We assume that minor skin problems are the most promising field for teledermatology. Our findings emphasize the need for dermatologists to be actively involved in the transition to teledermatology. CLINICALTRIAL ClinicalTrials.gov NCT04495036.
- Published
- 2023
43. Thermodynamic and Transport Properties Modeling of Deep Eutectic Solvents: A review on gE-models, equations of state and molecular dynamics
- Author
-
Sven Jakobtorweihen, Andrés González de Castilla, Irina Smirnova, Jan Philipp Bittner, and Simon Müller
- Subjects
Chemical Physics (physics.chem-ph) ,Statistical Mechanics (cond-mat.stat-mech) ,Chemistry ,General Chemical Engineering ,Thermodynamics ,FOS: Physical sciences ,02 engineering and technology ,General Chemistry ,State (functional analysis) ,Computational Physics (physics.comp-ph) ,010402 general chemistry ,01 natural sciences ,0104 chemical sciences ,Molecular dynamics ,020401 chemical engineering ,Physics - Chemical Physics ,0204 chemical engineering ,Physics - Computational Physics ,Condensed Matter - Statistical Mechanics ,Eutectic system - Abstract
Deep eutectic solvents (DESs) have gained attention in recent years as attractive alternatives to traditional solvents. There is a growing number of publications dealing with the thermodynamic modeling of DESs highlighting the importance of modeling the solutions' properties. In this review, we summarize the state-of-the-art in DES modeling as well as its current challenges. We also summarize the various modeling approaches to phase equilibria and properties of DESs with gE-models, EOS and molecular dynamics (MD) simulations. The current gE-model and EOS-based approaches handle DESs as pseudo-components in order to simplify the parameterizations and calculation strategies. However, for the models to become more transferable and predictive, it would be preferable to model the individual DES constituents instead of using the pseudo-components. This implies that validation with more detailed experimental data that includes the distribution of the DES components is also required. MD simulations, in contrast to gE-models and EOS, are capable of providing information about the liquid structure and can predict dynamic properties although, the latter quantities still show some imprecisions. Therefore, insights into the liquid structure of DES systems from MD could also aid in improving present modeling strategies in addition to a better understanding. Finally, the latest developments for DES force fields are discussed as the quality of the applied force fields determine the results of MD simulations.
- Published
- 2023
- Full Text
- View/download PDF
44. Evaluation and Refinement of the novel predictive electrolyte model COSMO-RS-ES based on solid-liquid equilibria of salts and Gibbs free Energies of Transfer of Ions
- Author
-
Irina Smirnova, Andrés González de Castilla, Andreas Klein, Simon Müller, and Christoph Taeschler
- Subjects
General Chemical Engineering ,General Physics and Astronomy ,Thermodynamics ,FOS: Physical sciences ,02 engineering and technology ,Electrolyte ,01 natural sciences ,Ion ,symbols.namesake ,COSMO-RS ,020401 chemical engineering ,Physics - Chemical Physics ,Phase (matter) ,0204 chemical engineering ,Physical and Theoretical Chemistry ,Solubility ,Condensed Matter - Statistical Mechanics ,Chemical Physics (physics.chem-ph) ,Statistical Mechanics (cond-mat.stat-mech) ,010405 organic chemistry ,Chemistry ,Computational Physics (physics.comp-ph) ,Alkali metal ,0104 chemical sciences ,Gibbs free energy ,Solvent ,symbols ,Physics - Computational Physics - Abstract
The new predictive electrolyte model COSMO-RS-ES is evaluated and refined for the calculation of solubilities of salts in mixed solvent systems. It is demonstrated that the model is capable of predicting solid-liquid equilibria at 25 °C for ammonium and alkali metal salts quite accurately in a wide variety of solvent mixtures. Furthermore, through the introduction of Gibbs free energies of transfer of single ions it is shown that the model performance can be improved even further. This new data type also allows for an ion-specific way of evaluating the model for the first time. For some systems when calculating the solubility, larger deviations are observed, but for the vast majority of systems the model delivers good predictions. This shows that COSMO-RS-ES is a valuable tool for calculation of phase equilibria in electrolyte systems especially when the scarcity of data impede the application of models that require a higher number of parameters.
- Published
- 2023
- Full Text
- View/download PDF
45. Using Anthropomorphism to Improve the Human-Machine Interaction in Industrial Environments (Part I).
- Author
-
Sinem Kuz, Marcel Ph. Mayer, Simon Müller, and Christopher M. Schlick
- Published
- 2013
- Full Text
- View/download PDF
46. Towards Anthropomorphic Movements for Industrial Robots.
- Author
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Christian Brecher, Simon Müller, Sinem Kuz, and Wolfram Lohse
- Published
- 2013
- Full Text
- View/download PDF
47. Fast forward evolution in real time: the rapid spread of SARS-CoV-2 variant of concern lineage B.1.1.7 in Saxony-Anhalt over a period of 5 months
- Author
-
J. Weickert, M. Karrasch, Simon Müller, Claudia Misiak, Alexander Rausch, B. Möbius, Stefan Hüttelmaier, K. Angermann, M. Hoyer, Danny Misiak, R. Zabel, Markus Glaß, and A. Kehlen
- Subjects
Whole genome sequencing ,Genetics ,Genetic diversity ,Lineage (genetic) ,Point mutation ,Biochemistry (medical) ,Clinical Biochemistry ,Discrete Mathematics and Combinatorics ,Population study ,SNP ,Biology ,Genome ,Virus - Abstract
Objectives Random mutations and recombinations are the main sources for the genetic diversity in SARS-CoV-2, with mutations in the SARS-CoV-2 spike (S) receptor binding motif (RBM) representing a high potential for the emergence of new putative variants under investigation (VUI) or variants of concern (VOC). It is of importance, to measure the different circulating SARS-CoV-2 lineages in order to establish a regional SARS-CoV-2 surveillance program. We established whole genome sequencing (WGS) of circulating SARS-CoV-2 lineages in order to establish a regional SARS-CoV-2 surveillance program. Methods We established a surveillance program for circulating SARS-CoV-2 lineages by performing whole genome sequencing (WGS) in SARS-CoV-2 isolates. Specimens were collected over a period of 5 months from three different sites. Specimens were collected from both patients suffering from COVID-19 and from outpatients without any clinical signs or symptoms; both in a tertiary university hospital, and two private laboratories within an urban area of eastern part Germany. Results Viral WGS from the 364 respiratory specimens with positive SARS-CoV-2 RT-PCR comprised 16 different SARS-CoV-2 lineages. The majority of the obtained sequences (252/364=69%) was assigned to the variant of concern (VOC) Alpha (B.1.1.7). This variant first appeared in February in our samples and quickly became the dominant virus variant. All SNP PCR results could be verified using WGS. Other VOCs found in our cohort were Beta (B.1.351, n=2) and Delta (B.1.617.2, n=1). Conclusions Lineage analysis revealed 16 different virus variants among 364 respiratory samples analyzed by WGS. The number of distinct lineages dramatically decreased over time in leaving only few variants, in particular, the VOC Alpha or B.1.1.7. By closer inspection of point mutations, we found several distinct mutations of the viral spike protein that were reported to increase affinity or enable immune escape. Within a study period of only 5 months, SARS-CoV-2 lineage B.1.1.7 became the dominant lineage in our study population. This study emphasizes the benefit of SARS-CoV-2 testing by WGS. The increasing use of WGS to sequence the entire SARS-CoV-2 genome will reveal additional VUIs and VOCs with the potential to evade the immune system and, thus, will be a promising tool for data mining of relevant information for epidemiological studies. SARS-CoV-2 lineage monitoring using WGS is an important surveillance tool for early detection of upcoming new lineages of concern.
- Published
- 2021
48. Periocular hypopigmentation of the elderly (POHE): A case series
- Author
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Simon Müller and Leonie Sina Mildner
- Published
- 2022
49. The CUVY: A tool to estimate an individual's 'Cumulative UltraViolet Years'
- Author
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Simon Müller, Alexander Navarini, Christian Feigenwinter, and Valentina Nike Sophia Hongler
- Published
- 2022
50. The good and the bad water in aquagenic pruritus – a case report
- Author
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Simon Müller and Sophie Flammer
- Published
- 2022
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