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In Near Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy X-Ray photons are used to excite tightly bound core electrons to low-lying unoccupied orbitals of the system. This technique offers insight into the electronic structure of the system as well as useful structural information. In this work, we apply NEXAFS to two kinds of imidazolium based ionic liquids ([CnC1im]+[NTf2]- and [C4C1im]+[I]-). A combination of measurements and quantum chemical calculations of C K and N K NEXAFS resonances is presented. The simulations, based on the transition potential density functional theory method (TP-DFT), reproduce all characteristic features observed by the experiment. Furthermore, a detailed assignment of resonance features to excitation centers (carbon or nitrogen atoms) leads to a consistent interpretation of the spectra.
Die Einführung der Städteordnung 1808 wird den preußischen Reformern unter Stein und Hardenberg als wichtiger Schritt zur städtischen Selbstverwaltung zugerechnet. Die Bedeutung der Städteordnung ist in der Wissenschaft und Praxis unbestritten. Sie gilt als die erste Konstituierung des modernen Gemeindeverfassungsrechts. Mit der Schaffung der Stadtverordnetenversammlung und der damit verbundenen Einführung des freien Mandats der Mitglieder trug sie die Merkmale des ersten modernen „Parlaments“ in Deutschland. Die Stein’sche Städteordnung gewährte der Stadtverordnetenversammlung ein hohes Maß an Autonomie, insbesondere Budget- und Steuerbewilligungsrecht, ohne an staatliche Gesetzesnormen gebunden zu sein. Auch in Potsdam wurde im Zuge der preußischen Reformen im März 1809 erstmals eine Stadtverordnetenversammlung gewählt. Das 200jährige Jubiläum war für Wissenschaftler und Experten aus Politik und Verwaltung Anlass, verfassungsrechtliche Grundlagen, Entscheidungskompetenzen, Aufgaben und Strategien der Stadtverordnetenversammlung im Wandel der Zeit zu diskutieren.
Für die Entwicklung professioneller Handlungskompetenzen angehender Lehrkräfte stellt die Unterrichtsreflexion ein wichtiges Instrument dar, um Theoriewissen und Praxiserfahrungen in Beziehung zu setzen. Die Auswertung von Unterrichtsreflexionen und eine entsprechende Rückmeldung stellt Forschende und Dozierende allerdings vor praktische wie theoretische Herausforderungen. Im Kontext der Forschung zu Künstlicher Intelligenz (KI) entwickelte Methoden bieten hier neue Potenziale. Der Beitrag stellt überblicksartig zwei Teilstudien vor, die mit Hilfe von KI-Methoden wie dem maschinellen Lernen untersuchen, inwieweit eine Auswertung von Unterrichtsreflexionen angehender Physiklehrkräfte auf Basis eines theoretisch abgeleiteten Reflexionsmodells und die automatisierte Rückmeldung hierzu möglich sind. Dabei wurden unterschiedliche Ansätze des maschinellen Lernens verwendet, um modellbasierte Klassifikation und Exploration von Themen in Unterrichtsreflexionen umzusetzen. Die Genauigkeit der Ergebnisse wurde vor allem durch sog. Große Sprachmodelle gesteigert, die auch den Transfer auf andere Standorte und Fächer ermöglichen. Für die fachdidaktische Forschung bedeuten sie jedoch wiederum neue Herausforderungen, wie etwa systematische Verzerrungen und Intransparenz von Entscheidungen. Dennoch empfehlen wir, die Potenziale der KI-basierten Methoden gründlicher zu erforschen und konsequent in der Praxis (etwa in Form von Webanwendungen) zu implementieren.
Algorithmen als Dozierende?
(2023)
Auf maschinellem Lernen basierende Tools haben schon längst Einzug in unseren Alltag gefunden und so konnten auch in der Lehrkräftebildung erste Anwendungen entwickelt, erprobt und evaluiert werden. Im Teilprojekt Physikdidaktik des Schwerpunktes 2 „Schulpraktische Studien“ wurden auf Basis eines Rahmenmodells für Reflexion (Nowak et al., 2019) automatisierte Analysemethoden (Wulff et al., 2020) entwickelt und fanden Einzug in universitäre fachdidaktische Lehre (Mientus et al., 2021a). Mit dem Projekt konnten Potenziale KI-basierter Unterstützung aufgezeigt und verstetigt sowie spezifische Herausforderungen identifiziert werden. Dieser Beitrag skizziert ausgewählte Anwendungsmöglichkeiten und weiterführende Forschungen unter dem Gesichtspunkt der Akzeptanz computerunterstützter Lehre.
Der Beitrag beschreibt nach einer kurzen Klärung des Begriffs Reflexion und der Klärung der Bedeutung dieses Prozesses für das Lehrkrafthandeln eine spezielle Lerngelegenheit für diesen Prozess im Rahmen des Praxissemesters für Lehramtsstudierende. Um die Reflexionen der Studierenden theoriegeleitet analysieren zu können, wurde ein Modell des Reflexionsprozesses entwickelt, welches kurz vorgestellt wird. Der Schwerpunkt des Beitrags liegt in der Schilderung des (idealtypischen) Ablaufs der Lernsituation. Auf der Basis mehrerer Abläufe mit Lehramtsstudierenden werden am Ende Erfahrungen mit verschiedenen Ausprägungen des Reflexionsprozesses dargestellt. Eine Weiterentwicklung dieses Formats und sein über das Praxissemester hinausgehender Einsatz werden empfohlen.
Reflecting in written form on one's teaching enactments has been considered a facilitator for teachers' professional growth in university-based preservice teacher education. Writing a structured reflection can be facilitated through external feedback. However, researchers noted that feedback in preservice teacher education often relies on holistic, rather than more content-based, analytic feedback because educators oftentimes lack resources (e.g., time) to provide more analytic feedback. To overcome this impediment to feedback for written reflection, advances in computer technology can be of use. Hence, this study sought to utilize techniques of natural language processing and machine learning to train a computer-based classifier that classifies preservice physics teachers' written reflections on their teaching enactments in a German university teacher education program. To do so, a reflection model was adapted to physics education. It was then tested to what extent the computer-based classifier could accurately classify the elements of the reflection model in segments of preservice physics teachers' written reflections. Multinomial logistic regression using word count as a predictor was found to yield acceptable average human-computer agreement (F1-score on held-out test dataset of 0.56) so that it might fuel further development towards an automated feedback tool that supplements existing holistic feedback for written reflections with data-based, analytic feedback.
Science education researchers typically face a trade-off between more quantitatively oriented confirmatory testing of hypotheses, or more qualitatively oriented exploration of novel hypotheses. More recently, open-ended, constructed response items were used to combine both approaches and advance assessment of complex science-related skills and competencies. For example, research in assessing science teachers' noticing and attention to classroom events benefitted from more open-ended response formats because teachers can present their own accounts. Then, open-ended responses are typically analyzed with some form of content analysis. However, language is noisy, ambiguous, and unsegmented and thus open-ended, constructed responses are complex to analyze. Uncovering patterns in these responses would benefit from more principled and systematic analysis tools. Consequently, computer-based methods with the help of machine learning and natural language processing were argued to be promising means to enhance assessment of noticing skills with constructed response formats. In particular, pretrained language models recently advanced the study of linguistic phenomena and thus could well advance assessment of complex constructs through constructed response items. This study examines potentials and challenges of a pretrained language model-based clustering approach to assess preservice physics teachers' attention to classroom events as elicited through open-ended written descriptions. It was examined to what extent the clustering approach could identify meaningful patterns in the constructed responses, and in what ways textual organization of the responses could be analyzed with the clusters. Preservice physics teachers (N = 75) were instructed to describe a standardized, video-recorded teaching situation in physics. The clustering approach was used to group related sentences. Results indicate that the pretrained language model-based clustering approach yields well-interpretable, specific, and robust clusters, which could be mapped to physics-specific and more general contents. Furthermore, the clusters facilitate advanced analysis of the textual organization of the constructed responses. Hence, we argue that machine learning and natural language processing provide science education researchers means to combine exploratory capabilities of qualitative research methods with the systematicity of quantitative methods.
Thin films of ferroelectric beta-phase poly(vinylidene fluoride) (PVDF) were spin-coated from a solution that contained small amounts of the ionic liquid (IL) 1-ethyl-3-methylimidazolium nitrate. A remanent polarization of 60 mC/m(2) and a quasi-static pyroelectric coefficient of 19 mu C/m(2)K at 30 degrees C were observed in the films. It is suggested that the IL promotes the formation of the beta phase through dipolar interactions between PVDF chain-molecules and the IL. The dipolar interactions are identified as Coulomb attraction between hydrogen atoms in PVDF chains and anions in IL. The strong crystallinity increase is probably caused by the same dipolar interaction as well.
PSI-Potsdam
(2023)
An der Universität Potsdam wird seit 2015 im Rahmen der „Qualitätsoffensive Lehrerbildung“ das Projekt „Professionalisierung – Schulpraktische Studien – Inklusion“ (PSI-Potsdam) durchgeführt und am Zentrum für Lehrerbildung und Bildungsforschung (ZeLB) koordiniert. Zur ersten Projektförderphase (2015-2018) erschien der Band „PSI-Potsdam – Ergebnisbericht zu den Aktivitäten im Rahmen der Qualitätsoffensive Lehrerbildung (2015-2018)“ zum Auftakt der Reihe „Potsdamer Beiträge zur Lehrerbildung und Bildungsforschung“.
Der vorliegende Band aus der gleichen Reihe gibt in den Kapiteln „Erhebungen“, „Lehrkonzepte“ und „Vernetzungen“ einen Überblick über alle Teilprojekte der zweiten Projektförderphase (2019-2023). Wissenschaftler:innen aus verschiedenen Fachdidaktiken, Fachwissenschaften sowie aus den Bildungswissenschaften und der Inklusionspädagogik haben im Rahmen des Projektes kooperiert. Sowohl praxisnahe Forschung als auch die Entwicklung neuer Lehrkonzepte sowie Strategien zur Vernetzung innerhalb der Lehrkräftebildung stehen im Fokus dieses Bandes. Die Praxisphasen, die im Rahmen des „Potsdamer Modells der Lehrerbildung“ eine zentrale Rolle spielen, wurden in einer großen Studie über alle Praxisphasen untersucht.
Der Band gibt interessante Einblicke in die Ergebnisse der Teilprojekte und Anregungen sowohl für die eigene Forschung als auch für Entwicklungsarbeit wie zum Beispiel die Entwicklung neuer Lehrkonzepte. Herausgegeben wird dieser Band von PD Dr. Jolanda Hermanns (Gesamtkoordinatorin PSI-Potsdam und Chemiedidaktikerin).
Alles auf Anfang!
(2019)
Im Zuge der Bologna-Reform ist an Hochschulen vieles in Bewegung gekommen. Studium und Lehre sind stärker ins Blickfeld gerückt. Dabei kommt der Studieneingangsphase besondere Bedeutung zu, werden doch hier die Weichen für ein erfolgreiches Studium gestellt. Deshalb ist es verständlich, dass die Hauptanstrengungen der Hochschulen auf den Studieneingang gerichtet sind – ganz nach dem Motto: „Auf den Anfang kommt es an!“. Konsens herrscht dahingehend, dass der Studieneingang neu zu gestalten ist, doch beim „Wie?“ gibt es unterschiedliche Antworten. Zugleich wird immer deutlicher, dass eine wirksame Neugestaltung der Eingangsphase nur mit einer umfassenden Reform des Studiums gelingen kann.
Ziel des vierten Bandes der Potsdamer Beiträge zur Hochschulforschung ist es, eine Zwischenbilanz der Debatte zum Studieneingang zu ziehen. Auf der Basis empirischer Studien werden unterschiedliche Perspektiven auf den Studieneingang eingenommen und Empfehlungen zur Optimierung des Studieneingangs abgeleitet. Die zahlreichen Untersuchungsergebnisse Potsdamer Forschergruppen werden durch weitere nationale sowie internationale Perspektiven ergänzt. Der Band richtet sich an alle, die sich für die Entwicklung an Hochschulen interessieren.
Wir stellen die Konzeption und erste Ergebnisse einer neuartigen Informatik- Lehrveranstaltung für Studierende der Geodäsie vor. Das Konzept verbindet drei didaktische Ideen: Kontextorientierung, Peer-Tutoring und Praxisbezug (Course). Die Studierenden sollen dabei in zwei Semestern wichtige Grundlagen der Informatik verstehen und anzuwenden lernen. Durch enge Verzahnung der Aufgaben mit einem für Nichtinformatiker relevanten Kontext, sowie einem sehr hohen Anteil von Selbsttätigkeit der Studierenden soll die Motivation für fachfremde Themen gesteigert werden. Die Ergebnisse zeigen, dass die Veranstaltung sehr erfolgreich war.
Ionic guest in ionic host
(2022)
Ionosilica ionogels, i.e. composites consisting of an ionic liquid (IL) guest confined in an ionosilica host matrix, were synthesized via a non-hydrolytic sol-gel procedure from a tris-trialcoxysilylated amine precursor using the IL [BMIM]NTf2 as solvent. Various ionosilica ionogels were prepared starting from variable volumes of IL in the presence of formic acid. The resulting brittle and nearly colourless monoliths are composed of different amounts of IL guests confined in an ionosilica host as evidenced via thermogravimetric analysis, FT-IR, and C-13 CP-MAS solid-state NMR spectroscopy. In the following, we focused on confinement effects between the ionic host and guest. Special host-guest interactions between the IL guest and the ionosilica host were evidenced by H-1 solid-state NMR, Raman spectroscopy, and broadband dielectric spectroscopy (BDS) measurements. The three techniques indicate a strongly reduced ion mobility in the ionosilica ionogel composites containing small volume fractions of confined IL, compared to conventional silica-based ionogels. We conclude that the ionic ionosilica host stabilizes an IL layer on the host surface; this then results in a strongly reduced ion mobility compared to conventional silica hosts. The ion mobility progressively increases for systems containing higher volume fractions of IL and finally reaches the values observed in conventional silica based ionogels. These results therefore point towards strong interactions and confinement effects between the ionic host and the ionic guest on the ionosilica surface. Furthermore, this approach allows confining high volume fractions of IL into self-standing monoliths while preserving high ionic conductivity. These effects may be of interest in domains where IL phases must be anchored on solid supports to avoid leaching or IL spilling, e.g., in catalysis, in gas separation/sequestration devices or for the elaboration of solid electrolytes for (lithium-ion) batteries and supercapacitors.
Correction to: Knowledge bases and software support for variant interpretation in precision oncology
(2021)
Tectonic and climatic control on evolution of rift lakes in the Central Kenya Rift, East Africa
(2009)
The long-term histories of the neighboring Nakuru-Elmenteita and Naivasha lake basins in the Central Kenya Rift illustrate the relative importance of tectonic versus climatic effects on rift-lake evolution and the formation of disparate sedimentary environments. Although modem climate conditions in the Central Kenya Rift are very similar for these basins, hydrology and hydrochemistry of present-day lakes Nakuru, Elmenteita and Naivasha contrast dramatically due to tectonically controlled differences in basin geometries, catchment size, and fluvial processes. In this study, we use eighteen C-14 and Ar-40/Ar-39 dated fluvio-lacustrine sedimentary sections to unravel the spatiotemporal evolution of the lake basins in response to tectonic and climatic influences. We reconstruct paleoclimatic and ecological trends recorded in these basins based on fossil diatom assemblages and geologic field mapping. Our study shows a tendency towards increasing alkalinity and shrinkage of water bodies in both lake basins during the last million years. Ongoing volcano-tectonic segmentation of the lake basins, as well as reorganization of upstream drainage networks have led to contrasting hydrologic regimes with adjacent alkaline and freshwater conditions. During extreme wet periods in the past, such as during the early Holocene climate optimum, lake levels were high and all basins evolved toward freshwater systems. During drier periods some of these lakes revert back to alkaline conditions, while others maintain freshwater characteristics. Our results have important implications for the use and interpretation of lake sediment as climate archives in tectonically active regions and emphasize the need to deconvolve lacustrine records with respect to tectonics versus climatic forcing mechanisms.
Of Trees and Birds
(2019)
Gisbert Fanselow’s work has been invaluable and inspiring to many researchers working on syntax, morphology, and information structure, both from a theoretical and from an experimental perspective. This volume comprises a collection of articles dedicated to Gisbert on the occasion of his 60th birthday, covering a range of topics from these areas and beyond. The contributions have in common that in a broad sense they have to do with language structures (and thus trees), and that in a more specific sense they have to do with birds. They thus cover two of Gisbert’s major interests in- and outside of the linguistic world (and perhaps even at the interface).
Der Arbeitskreis Militär und Gesellschaft in der Frühen Neuzeit e. V. wurde im Frühjahr 1995 gegründet. Er hat es sich zur Aufgabe gemacht, die Erforschung des Militärs im Rahmen der frühneuzeitlichen Geschichte zu befördern und zugleich das Bewusstsein der Frühneuzeit-HistorikerInnen für die Bedeutung des Militärs in all seinen Funktionen zu wecken. Das Militär steht somit als soziale Gruppe selbst im Mittelpunkt der Aktivitäten des Arbeitskreises, wird aber auch in seinen Wirkungen und Repräsentationen thematisiert. Ziel ist es, die Rolle des Militärs als Teil der frühneuzeitlichen Gesellschaft umfassend herauszuarbeiten und zu würdigen. Insofern versteht der AMG seine Arbeit nicht nur als Beitrag zur Militärgeschichte, sondern vor allem als Beitrag zur Geschichte der Frühen Neuzeit insgesamt.
Der Arbeitskreis bietet ein Diskussions- und Informationsforum durch die Organisation von Tagungen, die Herausgabe der Schriftenreihe ‚Herrschaft und soziale Systeme in der Frühen Neuzeit‘, die Zeitschrift ‚Militär und Gesellschaft in der Frühen Neuzeit‘ und die Mailingliste mil-fnz.
In this work, a closure experiment for tropospheric aerosol is presented. Aerosol size distributions and single scattering albedo from remote sensing data are compared to those measured in-situ. An aerosol pollution event on 4 April 2009 was observed by ground based and airborne lidar and photometer in and around Ny-Alesund, Spitsbergen, as well as by DMPS, nephelometer and particle soot absorption photometer at the nearby Zeppelin Mountain Research Station.
The presented measurements were conducted in an area of 40 x 20 km around Ny-Alesund as part of the 2009 Polar Airborne Measurements and Arctic Regional Climate Model Simulation Project (PAMARCMiP). Aerosol mainly in the accumulation mode was found in the lower troposphere, however, enhanced backscattering was observed up to the tropopause altitude. A comparison of meteorological data available at different locations reveals a stable multi-layer-structure of the lower troposphere. It is followed by the retrieval of optical and microphysical aerosol parameters. Extinction values have been derived using two different methods, and it was found that extinction (especially in the UV) derived from Raman lidar data significantly surpasses the extinction derived from photometer AOD profiles. Airborne lidar data shows volume depolarization values to be less than 2.5% between 500 m and 2.5 km altitude, hence, particles in this range can be assumed to be of spherical shape. In-situ particle number concentrations measured at the Zeppelin Mountain Research Station at 474 m altitude peak at about 0.18 mu m diameter, which was also found for the microphysical inversion calculations performed at 850 m and 1500 m altitude. Number concentrations depend on the assumed extinction values, and slightly decrease with altitude as well as the effective particle diameter. A low imaginary part in the derived refractive index suggests weakly absorbing aerosols, which is confirmed by low black carbon concentrations, measured at the Zeppelin Mountain as well as on board the Polar 5 aircraft.
With the advent of Nanotechnology, the use of nanomaterials in consumer products is increasing on a daily basis, due to which a deep understanding and proper investigation regarding their safety and risk assessment should be a major priority. To date, there is no investigation regarding the microrheological properties of nanomaterials (NMs) in biological media.
In our study, we utilized in silico models to select the suitable NMs based on their physicochemical properties such as solubility and lipophilicity. Then, we established a new method based on dynamic light scattering (DLS) microrheology to get the mean square displacement (MSD) and viscoelastic property of two model NMs that are dendrimers and cerium dioxide nanoparticles in Dulbecco's Modified Eagle Medium (DMEM) complete media at three different concentrations for both NMs. Subsequently, we established the cytotoxicological profiling using water-soluble tetrazolium salt-1 (WST-1) and a reactive oxygen species (ROS) assay.
To take one step forward, we further looked into the tight junction properties of the cells using immunostaining with Zonula occluden-1 (ZO-1) antibodies and found that the tight junction function or transepithelial resistance (TEER) was affected in response to the microrheology and cytotoxicity. The quantitative polymerase chain reaction (q-PCR) results in the gene expression of ZO-1 after the 24 h treatment with NPs further validates the findings of immunostaining results.
This new method that we established will be a reference point for other NM studies which are used in our day-to-day consumer products.
Homotherium was a genus of large-bodied scimitar-toothed cats, morphologically distinct from any extant felid species, that went extinct at the end of the Pleistocene [1-4]. They possessed large, saber-form serrated canine teeth, powerful forelimbs, a sloping back, and an enlarged optic bulb, all of which were key characteristics for predation on Pleistocene megafauna [5]. Previous mitochondrial DNA phylogenies suggested that it was a highly divergent sister lineage to all extant cat species [6-8]. However, mitochondrial phylogenies can be misled by hybridization [9], incomplete lineage sorting (ILS), or sex-biased dispersal patterns [10], which might be especially relevant for Homotherium since widespread mito-nuclear discrepancies have been uncovered in modern cats [10]. To examine the evolutionary history of Homotherium, we generated a -7x nuclear genome and a similar to 38x exome from H. latidens using shotgun and target-capture sequencing approaches. Phylogenetic analyses reveal Homotherium as highly divergent (similar to 22.5 Ma) from living cat species, with no detectable signs of gene flow. Comparative genomic analyses found signatures of positive selection in several genes, including those involved in vision, cognitive function, and energy consumption, putatively consistent with diurnal activity, well-developed social behavior, and cursorial hunting [5]. Finally, we uncover relatively high levels of genetic diversity, suggesting that Homotherium may have been more abundant than the limited fossil record suggests [3, 4, 11-14]. Our findings complement and extend previous inferences from both the fossil record and initial molecular studies, enhancing our understanding of the evolution and ecology of this remarkable lineage.
Portal alumni
(2012)
Das zurückliegende Jahr stand an der Universität Potsdam auch im Zeichen des zwanzigjährigen Jubiläums der Hochschule. Am 15. Juli 1991, wurde sie gegründet und während einer Festwoche feierten Professorinnen und Professoren, Mitarbeiterinnen, Mitarbeiter und Studierende dieses Jubiläum gebührend. Seit der Gründung der größten brandenburgischen Hochschule sind wissenschaftliches Renommee, Ansehen und Attraktivität stetig gewachsen. Gerade in den letzten Jahren hat sie ihr Profil geschärft. Vor allem die Kognitions-, die Geo- und Biowissenschaften sind hier zu nennen. Aber auch die Lehrerbildung besitzt einen hohen Stellenwert. International anerkannte Forschungsbereiche, Wissenschaftspreise, eine erfolgreiche Drittmittelbilanz und nicht zuletzt die bauliche Entwicklung an allen drei Standorten sind sichtbare Indikatoren für die erfolgreiche Entwicklung, die die Universität Potsdam in den letzten zwei Jahrzehnten durchlaufen hat. Die drei ehemaligen Präsidenten sowie verschiedene andere Protagonisten werfen in dieser Ausgabe der Portal Alumni einen Blick auf unterschiedliche Aspekte der zurückliegenden Entwicklung der Universität. Vom Erfolg der Universität zeugt auch die wachsende Zahl der Absolventinnen und Absolventen, die die Universität verlassen. Portal Alumni stellt in der vorliegenden Ausgabe deshalb Absolventen und deren universitäre und berufliche Lebenswege genauer vor und lässt damit zugleich kaleidoskopartig 20 Jahre Studium an der Universität Potsdam Revue passieren.
We employed bias-assisted charge extraction techniques to investigate the transient and steady-state recombination of photogenerated charge carriers in complete devices of a disordered polymer-fullerene blend. Charge recombination is shown to be dispersive, with a significant slowdown of the recombination rate over time, consistent with the results from kinetic Monte Carlo simulations. Surprisingly, our experiments reveal little to no contributions from early time recombination of nonequilibrated charge carriers to the steady-state recombination properties. We conclude that energetic relaxation of photogenerated carriers outpaces any significant nongeminate recombination under application-relevant illumination conditions. With equilibrated charges dominating the steady-state recombination, quasi-equilibrium concepts appear suited for describing the open-circuit voltage of organic solar cells despite pronounced energetic disorder.
'Biodiversity' is increasingly perceived as an important resource for research and conservation, but also for economy. Conservation, access and sustainable use of biodiversity (genetic resources, species, samples) are negotiated on different political levels, resulting in an internationally binding legal framework. Resulting legislation is binding for all parties involved in biological sampling, i.e. researches and (and in italics) countries, and especially applies for tissue or DNA samples and dervied products thereof. Understanding and awareness of export and import permits for biological samples is increasingly important for biologists to perform research projects legally and timely. Nevertheless, some biologists are still exporting and importing biological samples ignoring or noncompliant with national and international legislation, conventions, and regulations. Resulting difficulties may not only cause serious problems during field work, but may also delay the export, import or exchange of samples. Comprehensive a priori information regarding legal requirements helps to avoid or at least diminish potential problems. We identified four major factors facilitating export/import permits: (1) good personal (mutually trusted) contacts in the country of origin, (2) understanding and compliance with all relevant laws and regulations; (3) access to information regarding knowledge on permits, regulations and laws including their circulation within the researcher communities; and (4) access to consistent and up to date regulations
In aquatic ecosystems, light availability can significantly influence microbial turnover of terrestrial organic matter through associated metabolic interactions between phototrophic and heterotrophic communities. However, particularly in streams, microbial functions vary significantly with the structure of the streambed, that is the distribution and spatial arrangement of sediment grains in the streambed. It is therefore essential to elucidate how environmental factors synergistically define the microbial turnover of terrestrial organic matter in order to better understand the ecological role of photo-heterotrophic interactions in stream ecosystem processes. In outdoor experimental streams, we examined how the structure of streambeds modifies the influence of light availability on microbial turnover of leaf carbon (C). Furthermore, we investigated whether the studied relationships of microbial leaf C turnover to environmental conditions are affected by flow intermittency commonly occurring in streams. We applied leaves enriched with a 13C-stable isotope tracer and combined quantitative and isotope analyses. We thereby elucidated whether treatment induced changes in C turnover were associated with altered use of leaf C within the microbial food web. Moreover, isotope analyses were combined with measurements of microbial community composition to determine whether changes in community function were associated with a change in community composition. In this study, we present evidence, that environmental factors interactively determine how phototrophs and heterotrophs contribute to leaf C turnover. Light availability promoted the utilization of leaf C within the microbial food web, which was likely associated with a promoted availability of highly bioavailable metabolites of phototrophic origin. However, our results additionally confirm that the structure of the streambed modifies light-related changes in microbial C turnover. From our observations, we conclude that the streambed structure influences the strength of photo-heterotrophic interactions by defining the spatial availability of algal metabolites in the streambed and the composition of microbial communities. Collectively, our multifactorial approach provides valuable insights into environmental controls on the functioning of stream ecosystems.
In aquatic ecosystems, light availability can significantly influence microbial turnover of terrestrial organic matter through associated metabolic interactions between phototrophic and heterotrophic communities. However, particularly in streams, microbial functions vary significantly with the structure of the streambed, that is the distribution and spatial arrangement of sediment grains in the streambed. It is therefore essential to elucidate how environmental factors synergistically define the microbial turnover of terrestrial organic matter in order to better understand the ecological role of photoheterotrophic interactions in stream ecosystem processes. In outdoor experimental streams, we examined how the structure of streambeds modifies the influence of light availability on microbial turnover of leaf carbon (C). Furthermore, we investigated whether the studied relationships of microbial leaf C turnover to environmental conditions are affected by flow intermittency commonly occurring in streams. We applied leaves enriched with a C-13-stable isotope tracer and combined quantitative and isotope analyses. We thereby elucidated whether treatment induced changes in C turnover were associated with altered use of leaf C within the microbial food web. Moreover, isotope analyses were combined with measurements of microbial community composition to determine whether changes in community function were associated with a change in community composition. In this study, we present evidence, that environmental factors interactively determine how phototrophs and heterotrophs contribute to leaf C turnover. Light availability promoted the utilization of leaf C within the microbial food web, which was likely associated with a promoted availability of highly bioavailable metabolites of phototrophic origin. However, our results additionally confirm that the structure of the streambed modifies light-related changes in microbial C turnover. From our observations, we conclude that the streambed structure influences the strength of photo-heterotrophic interactions by defining the spatial availability of algal metabolites in the streambed and the composition of microbial communities. Collectively, our multifactorial approach provides valuable insights into environmental controls on the functioning of stream ecosystems.
Understanding interrelations between an environment's hydrological past and its current biogeochemistry is necessary for the assessment of biogeochemical and microbial responses to changing hydrological conditions. The question how previous dry-wet events determine the contemporary microbial and biogeochemical state is addressed in this study. Therefore, sediments exposed to the atmosphere of areas with a different hydrological past within one kettle hole, i.e. (1) the predominantly inundated pond center, (2) the pond margin frequently desiccated for longer periods and (3) an intermediate zone, were incubated with the same rewetting treatment. Physicochemical and textural characteristics were related to structural microbial parameters regarding carbon and nitrogen turnover, i.e. abundance of bacteria and fungi, denitrifiers (targeted by the nirK und nirS functional genes) and nitrate ammonifiers (targeted by the nrfA functional gene). Our study reveals that, in combination with varying sediment texture, the hydrological history creates distinct microbial habitats with defined boundary conditions within the kettle hole, mainly driven by redox conditions, pH and organic matter (OM) composition. OM mineralization, as indicated by CO2-outgassing, was most efficient in exposed sediments with a less stable hydrological past. The potential for nitrogen retention via nitrate ammonification was highest in the hydrologically rather stable pond center, counteracting nitrogen loss due to denitrification. Therefore, the degree of hydrological stability is an important factor leaving a microbial and biogeochemical legacy, which determines carbon and nitrogen losses from small lentic freshwater systems in the long term run.
Biogenic greenhouse gas emissions, e.g., of methane (CH4) and carbon dioxide (CO2) from inland waters, contribute substantially to global warming. In aquatic systems, dissolved greenhouse gases are highly heterogeneous in both space and time. To better understand the biological and physical processes that affect sources and sinks of both CH4 and CO2, their dissolved concentrations need to be measured with high spatial and temporal resolution. To achieve this goal, we developed the Fast-Response Automated Gas Equilibrator (FaRAGE) for real-time in situ measurement of dissolved CH4 and CO2 concentrations at the water surface and in the water column. FaRAGE can achieve an exceptionally short response time (t(95%) = 12 s when including the response time of the gas analyzer) while retaining an equilibration ratio of 62.6% and a measurement accuracy of 0.5% for CH4. A similar performance was observed for dissolved CO2 (t(95%) = 10 s, equilibration ratio 67.1 %). An equilibration ratio as high as 91.8% can be reached at the cost of a slightly increased response time (16 s). The FaRAGE is capable of continuously measuring dissolved CO2 and CH4 concentrations in the nM-to-submM (10(-9)-10(-3) mol L-1) range with a detection limit of subnM (10(-10) mol L-1), when coupling with a cavity ring-down greenhouse gas analyzer (Picarro GasScouter). FaRAGE allows for the possibility of mapping dissolved concentration in a "quasi" three-dimensional manner in lakes and provides an inexpensive alternative to other commercial gas equilibrators. It is simple to operate and suitable for continuous monitoring with a strong tolerance for suspended particles. While the FaRAGE is developed for inland waters, it can be also applied to ocean waters by tuning the gas-water mixing ratio. The FaRAGE is easily adapted to suit other gas analyzers expanding the range of potential applications, including nitrous oxide and isotopic composition of the gases.
Water stable isotopes (delta O-18 and delta H-2) were analyzed in samples collected in lakes, associated with riverine systems in northeastern Germany, throughout 2020. The dataset (Aichner et al., 2021; https://doi.org/10.1594/PANGAEA.935633) is derived from water samples collected at (a) lake shores (sampled in March and July 2020), (b) buoys which were temporarily installed in deep parts of the lake (sampled monthly from March to October 2020), (c) multiple spatially distributed spots in four selected lakes (in September 2020), and (d) the outflow of Muggelsee (sampled biweekly from March 2020 to January 2021). At shores, water was sampled with a pipette from 40-60 cm below the water surface and directly transferred into a measurement vial, while at buoys a Limnos water sampler was used to obtain samples from 1 m below the surface. Isotope analysis was conducted at IGB Berlin, using a Picarro L2130-i cavity ring-down spectrometer, with a measurement uncertainty of < 0.15 parts per thousand (delta O-18) and < 0.0 parts per thousand (delta H-2). The data give information about the vegetation period and the full seasonal isotope amplitude in the sampled lakes and about spatial isotope variability in different branches of the associated riverine systems.
In hydrology, the storage-discharge relationship is a fundamental catchment property. Understanding what controls this relationship is at the core of catchment science. To date, there are no direct methods to measure water storage at catchment scales (10(1)-10(3)km(2)). In this study, we use direct measurements of terrestrial water storage dynamics by means of superconducting gravimetry in a small headwater catchment of the Regen River, Germany, to derive empirical storage-discharge relationships in nested catchments of increasing scale. Our results show that the local storage measurements are strongly related to streamflow dynamics at larger scales (> 100km(2); correlation coefficient=0.78-0.81), but at small scale, no such relationship exists (similar to 1km(2); correlation coefficients=-0.11). The geologic setting in the region can explain both the disconnection between local water storage and headwater runoff, and the connectivity between headwater storage and streams draining larger catchment areas. More research is required to understand what controls the form of the observed storage-discharge relationships at the catchment scale. This study demonstrates that high-precision gravimetry can provide new insights into the complex relationship between state and response of hydrological systems.
Im Lehramtsstudium sollen Studierende grundlegende Fähigkeiten zur theoriegeleiteten Unterrichtsplanung erwerben.
In Übereinstimmung mit Modellen zur professionellen Handlungskompetenz von Lehrkräften wird hierbei meist angenommen, dass das im Studienverlauf erworbene Professionswissen eine wesentliche Grundlage für den Aufbau von Fähigkeiten zur Unterrichtsplanung bildet.
Lerngelegenheiten zur Anwendung dieses Professionswissens bieten vor allem schulpraktische Phasen im fortgeschrittenen Studienverlauf. Es wird aber ebenso angenommen, dass gerade Erfahrungen mit der Unterrichtsplanung den Aufbau von Professionswissen unterstützen.
Der Zusammenhang zwischen dem Ausmaß des Professionswissens und der Entwicklung von Planungsfähigkeit ist bisher unzureichend empirisch geklärt. Eine besondere methodische Herausforderung besteht darin, Planungsfähigkeiten sowohl möglichst authentisch als auch auf standardisierte Weise zu erfassen. Zur Untersuchung des genannten Zusammenhangs wurde eine längsschnittliche Studie im Prä-Post-Design bei angehenden Physiklehrkräften (N = 68 im Längsschnitt) an vier Universitäten durchgeführt.
Die Unterrichtsplanungsfähigkeit wurde mit Hilfe eines standardisierten Performanztests vor und nach dem Absolvieren eines Praxissemesters erfasst, indem als Standardsituation der Entwurf einer Unterrichtsstunde zum 3. Newton’schen Axiom unter definierten Zeitvorgaben im Praxissemester simuliert wurde. Zusätzlich wurden das fachliche, fachdidaktische und pädagogische Wissen der Studierenden mit Hilfe standardisierter Instrumente zu beiden Zeitpunkten erhoben, sowie die einschlägigen Lerngelegenheiten im Praxissemester über einen Fragebogen erfasst.
Sowohl für Unterrichtsplanungsfähigkeit als auch für alle Wissensvariablen können Zuwächse im Praxissemester beobachtet werden. Cross-Lagged-Panel-Analysen zeigen, dass insbesondere die Ausprägung des fachdidaktischen und pädagogischen Wissens der Studierenden am Beginn des Praxissemesters die Entwicklung von Unterrichtsplanungsfähigkeit begünstigt.
Probabilistic seismic-hazard analysis (PSHA) is the current tool of the trade used to estimate the future seismic demands at a site of interest. A modern PSHA represents a complex framework that combines different models with numerous inputs. It is important to understand and assess the impact of these inputs on the model output in a quantitative way. Sensitivity analysis is a valuable tool for quantifying changes of a model output as inputs are perturbed, identifying critical input parameters, and obtaining insight about the model behavior. Differential sensitivity analysis relies on calculating first-order partial derivatives of the model output with respect to its inputs; however, obtaining the derivatives of complex models can be challenging.
In this study, we show how differential sensitivity analysis of a complex framework such as PSHA can be carried out using algorithmic/automatic differentiation (AD). AD has already been successfully applied for sensitivity analyses in various domains such as oceanography and aerodynamics. First, we demonstrate the feasibility of the AD methodology by comparing AD-derived sensitivities with analytically derived sensitivities for a basic case of PSHA using a simple ground-motion prediction equation. Second, we derive sensitivities via AD for a more complex PSHA study using a stochastic simulation approach for the prediction of ground motions. The presented approach is general enough to accommodate more advanced PSHA studies of greater complexity.
Response spectra are of fundamental importance in earthquake engineering and represent a standard measure in seismic design for the assessment of structural performance. However, unlike Fourier spectral amplitudes, the relationship of response spectral amplitudes to seismological source, path, and site characteristics is not immediately obvious and might even be considered counterintuitive for high oscillator frequencies. The understanding of this relationship is nevertheless important for seismic-hazard analysis. The purpose of the present study is to comprehensively characterize the variation of response spectral amplitudes due to perturbations of the causative seismological parameters. This is done by calculating the absolute parameter sensitivities (sensitivity coefficients) defined as the partial derivatives of the model output with respect to its input parameters. To derive sensitivities, we apply algorithmic differentiation (AD). This powerful approach is extensively used for sensitivity analysis of complex models in meteorology or aerodynamics. To the best of our knowledge, AD has not been explored yet in the seismic-hazard context. Within the present study, AD was successfully implemented for a proven and extensively applied simulation program for response spectra (Stochastic Method SIMulation [SMSIM]) using the TAPENADE AD tool. We assess the effects and importance of input parameter perturbations on the shape of response spectra for different regional stochastic models in a quantitative way. Additionally, we perform sensitivity analysis regarding adjustment issues of groundmotion prediction equations.
In this pilot study, we describe a high-pressure incubation system allowing multiple subsampling of a pressurized culture without decompression. The system was tested using one piezophilic (Photobacterium profundum), one piezotolerant (Colwellia maris) bacterial strain and a decompressed sample from the Mediterranean deep sea (3044 m) determining bacterial community composition, protein production (BPP) and cell multiplication rates (BCM) up to 27 MPa. The results showed elevation of BPP at high pressure was by a factor of 1.5 +/- 1.4 and 3.9 +/- 2.3 for P. profundum and C. maris, respectively, compared to ambient-pressure treatments and by a factor of 6.9 +/- 3.8 fold in the field samples. In P. profundum and C. maris, BCM at high pressure was elevated (3.1 +/- 1.5 and 2.9 +/- 1.7 fold, respectively) compared to the ambient-pressure treatments. After 3 days of incubation at 27 MPa, the natural bacterial deep-sea community was dominated by one phylum of the genus Exiguobacterium, indicating the rapid selection of piezotolerant bacteria. In future studies, our novel incubation system could be part of an isopiestic pressure chain, allowing more accurate measurement of bacterial activity rates which is important both for modeling and for predicting the efficiency of the oceanic carbon pump.
BACKGROUND: Addiction is supposedly characterized by a shift from goal-directed to habitual decision making, thus facilitating automatic drug intake. The two-step task allows distinguishing between these mechanisms by computationally modeling goal-directed and habitual behavior as model-based and model-free control. In addicted patients, decision making may also strongly depend upon drug-associated expectations. Therefore, we investigated model-based versus model-free decision making and its neural correlates as well as alcohol expectancies in alcohol-dependent patients and healthy controls and assessed treatment outcome in patients. METHODS: Ninety detoxified, medication-free, alcohol-dependent patients and 96 age-and gender-matched control subjects underwent functional magnetic resonance imaging during the two-step task. Alcohol expectancies were measured with the Alcohol Expectancy Questionnaire. Over a follow-up period of 48 weeks, 37 patients remained abstinent and 53 patients relapsed as indicated by the Alcohol Timeline Followback method. RESULTS: Patients who relapsed displayed reduced medial prefrontal cortex activation during model-based decision making. Furthermore, high alcohol expectancies were associated with low model-based control in relapsers, while the opposite was observed in abstainers and healthy control subjects. However, reduced model-based control per se was not associated with subsequent relapse. CONCLUSIONS: These findings suggest that poor treatment outcome in alcohol dependence does not simply result from a shift from model-based to model-free control but is instead dependent on the interaction between high drug expectancies and low model-based decision making. Reduced model-based medial prefrontal cortex signatures in those who relapse point to a neural correlate of relapse risk. These observations suggest that therapeutic interventions should target subjective alcohol expectancies.
Signaling trough p53is a major cellular stress response mechanism and increases upon nutrient stresses such as starvation. Here, we show in a human hepatoma cell line that starvation leads to robust nuclear p53 stabilization. Using BioID, we determine the cytoplasmic p53 interaction network within the immediate-early starvation response and show that p53 is dissociated from several metabolic enzymes and the kinase PAK2 for which direct binding with the p53 DNA-binding domain was confirmed with NMR studies. Furthermore, proteomics after p53 immunoprecipitation (RIME) uncovered the nuclear interactome under prolonged starvation, where we confirmed the novel p53 interactors SORBS1 (insulin receptor signaling) and UGP2 (glycogen synthesis). Finally, transcriptomics after p53 re-expression revealed a distinct starvation-specific transcriptome response and suggested previously unknown nutrient-dependent p53 target genes. Together, our complementary approaches delineate several nodes of the p53 signaling cascade upon starvation, shedding new light on the mechanisms of p53 as nutrient stress sensor. Given the central role of p53 in cancer biology and the beneficial effects of fasting in cancer treatment, the identified interaction partners and networks could pinpoint novel pharmacologic targets to fine-tune p53 activity.
Precision oncology is a rapidly evolving interdisciplinary medical specialty. Comprehensive cancer panels are becoming increasingly available at pathology departments worldwide, creating the urgent need for scalable cancer variant annotation and molecularly informed treatment recommendations. A wealth of mainly academia-driven knowledge bases calls for software tools supporting the multi-step diagnostic process. We derive a comprehensive list of knowledge bases relevant for variant interpretation by a review of existing literature followed by a survey among medical experts from university hospitals in Germany. In addition, we review cancer variant interpretation tools, which integrate multiple knowledge bases. We categorize the knowledge bases along the diagnostic process in precision oncology and analyze programmatic access options as well as the integration of knowledge bases into software tools. The most commonly used knowledge bases provide good programmatic access options and have been integrated into a range of software tools. For the wider set of knowledge bases, access options vary across different parts of the diagnostic process. Programmatic access is limited for information regarding clinical classifications of variants and for therapy recommendations. The main issue for databases used for biological classification of pathogenic variants and pathway context information is the lack of standardized interfaces. There is no single cancer variant interpretation tool that integrates all identified knowledge bases. Specialized tools are available and need to be further developed for different steps in the diagnostic process.
Massive stars, at least similar to 10 times more massive than the Sun, have two key properties that make them the main drivers of evolution of star clusters, galaxies, and the Universe as a whole. On the one hand, the outer layers of massive stars are so hot that they produce most of the ionizing ultraviolet radiation of galaxies; in fact, the first massive stars helped to re-ionize the Universe after its Dark Ages. Another important property of massive stars are the strong stellar winds and outflows they produce. This mass loss, and finally the explosion of a massive star as a supernova or a gamma-ray burst, provide a significant input of mechanical and radiative energy into the interstellar space. These two properties together make massive stars one of the most important cosmic engines: they trigger the star formation and enrich the interstellar medium with heavy elements, that ultimately leads to formation of Earth-like rocky planets and the development of complex life. The study of massive star winds is thus a truly multidisciplinary field and has a wide impact on different areas of astronomy. In recent years observational and theoretical evidences have been growing that these winds are not smooth and homogeneous as previously assumed, but rather populated by dense "clumps". The presence of these structures dramatically affects the mass loss rates derived from the study of stellar winds. Clump properties in isolated stars are nowadays inferred mostly through indirect methods (i.e., spectroscopic observations of line profiles in various wavelength regimes, and their analysis based on tailored, inhomogeneous wind models). The limited characterization of the clump physical properties (mass, size) obtained so far have led to large uncertainties in the mass loss rates from massive stars. Such uncertainties limit our understanding of the role of massive star winds in galactic and cosmic evolution. Supergiant high mass X-ray binaries (SgXBs) are among the brightest X-ray sources in the sky. A large number of them consist of a neutron star accreting from the wind of a massive companion and producing a powerful X-ray source. The characteristics of the stellar wind together with the complex interactions between the compact object and the donor star determine the observed X-ray output from all these systems. Consequently, the use of SgXBs for studies of massive stars is only possible when the physics of the stellar winds, the compact objects, and accretion mechanisms are combined together and confronted with observations. This detailed review summarises the current knowledge on the theory and observations of winds from massive stars, as well as on observations and accretion processes in wind-fed high mass X-ray binaries. The aim is to combine in the near future all available theoretical diagnostics and observational measurements to achieve a unified picture of massive star winds in isolated objects and in binary systems.
Climate change has a major impact on arctic and boreal terrestrial ecosystems as warming leads to northward treeline shifts, inducing consequences for heterotrophic organisms associated with the plant taxa. To unravel ecological dependencies, we address how long-term climatic changes have shaped the co-occurrence of plants and fungi across selected sites in Siberia. We investigated sedimentary ancient DNA from five lakes spanning the last 47,000 years, using the ITS1 marker for fungi and the chloroplast P6 loop marker for vegetation metabarcoding. We obtained 706 unique fungal operational taxonomic units (OTUs) and 243 taxa for the plants. We show higher OTU numbers in dry forest tundra as well as boreal forests compared to wet southern tundra. The most abundant fungal taxa in our dataset are Pseudeurotiaceae, Mortierella, Sordariomyceta, Exophiala, Oidiodendron, Protoventuria, Candida vartiovaarae, Pseudeurotium, Gryganskiella fimbricystis, and Tricho-sporiella cerebriformis. The overall fungal composition is explained by the plant composition as revealed by redundancy analysis. The fungal functional groups show antagonistic relationships in their climate susceptibility. The advance of woody taxa in response to past warming led to an increase in the abun-dance of mycorrhizae, lichens, and parasites, while yeast and saprotroph distribution declined. We also show co-occurrences between Salicaceae, Larix, and Alnus and their associated pathogens and detect higher mycorrhizal fungus diversity with the presence of Pinaceae. Under future warming, we can expect feedbacks between fungus composition and plant diversity changes which will affect forest advance, species diversity, and ecosystem stability in arctic regions.
Although temporal heterogeneity is a well-accepted driver of biodiversity, effects of interannual variation in land-use intensity (LUI) have not been addressed yet. Additionally, responses to land use can differ greatly among different organisms; therefore, overall effects of land-use on total local biodiversity are hardly known. To test for effects of LUI (quantified as the combined intensity of fertilization, grazing, and mowing) and interannual variation in LUI (SD in LUI across time), we introduce a unique measure of whole-ecosystem biodiversity, multidiversity. This synthesizes individual diversity measures across up to 49 taxonomic groups of plants, animals, fungi, and bacteria from 150 grasslands. Multidiversity declined with increasing LUI among grasslands, particularly for rarer species and aboveground organisms, whereas common species and belowground groups were less sensitive. However, a high level of interannual variation in LUI increased overall multidiversity at low LUI and was even more beneficial for rarer species because it slowed the rate at which the multidiversity of rare species declined with increasing LUI. In more intensively managed grasslands, the diversity of rarer species was, on average, 18% of the maximum diversity across all grasslands when LUI was static over time but increased to 31% of the maximum when LUI changed maximally over time. In addition to decreasing overall LUI, we suggest varying LUI across years as a complementary strategy to promote biodiversity conservation.
Interpretation of conformational effects on 2-endo-norborneol by natural chemical shielding analysis
(2005)
This paper represents an extension of our work on the H-1 and C-13 NMR chemical shifts of norbornane and 2-endo- norborneol. NCS-NBO analysis was employed to probe contributions of bond orbitals and orbitals of lone pairs to nuclear shielding in conformers of the alcohol generated by rotation of the C-O bond. Variations in H-1 and C-13 chemical shifts with the dihedral angle are discussed in terms of Lewis and non-Lewis partitioning and their respective importance is evaluated. In addition to hyperconjugation of the lone pair in a p orbital of oxygen that was previously reported, a sizable participation of the lone pair which is in an sp orbital is also observed and their combined effect dominates the carbon chemical shifts of the C-1-C-2-OH and C-3-C-2-OH fragments. Both lone pairs on oxygen also contribute to localized, though-space effects on nuclei in the vicinity, these effects answering for the largest deviations in hydrogen chemical shifts on rotation around the C-O bond. On the other hand, for conformers in which nonbonded repulsions lead to distortions in the molecular framework, variations in chemical shifts may be attributed to angular effects
The anisotropic effect of the olefinic C=C double bond has been calculated by employing the NICS (nucleus independent chemical shift) concept and visualized as an anisotropic cone by a through space NMR shielding grid. Sign and size of this spatial effect on 1H chemical shifts of protons in norbornene, exo- and endo-2-methylnorbornenes, and in three highly congested tetracyclic norbornene analogs have been compared with the experimental 1H NMR spectra as far as published. 1H NMR spectra have also been calculated at the HF/6-31G* level of theory to get a full, comparable set of proton chemical shifts. Differences between ;(1H)/ppm and the calculated anisotropic effect of the C=C double bond are discussed in terms of the steric compression that occurs in the compounds studied.
Push-pull allenes-conjugation, (anti)aromaticity and quantification of the push-pull character
(2013)
Structures, H-1/C-13 chemical shifts, and pi electron distribution/conjugation of an experimentally available and theoretically completed set of push-pull allenes Acc(2)C=C=CDon(2) (Acc=F, CHO, CF3, C N; Don=t-Bu, OMe, OEt, SMe, SEt, NCH2R) have been computed at the OFT level of theory. Both orthogonal linear and orthogonal bent structures have been obtained. In the latter case the push-pull character could be quantified by the quotient method. The C-13 chemical shift of the central allene carbon atom C-2 and chemical shift differences Delta delta(C-1, C-2) and Delta delta(C-2, C-3) of allene carbon atoms proved to be a quantitative alternative. TSNMRS of ring-closed push-pull allenes have been computed in addition and were employed to identify polar, carbene-like and carbone-like canonical structures of these molecules.
We trace the specific star formation rate (sSFR) of massive star-forming galaxies (greater than or similar to 10(10)M(circle dot)) from z similar to 2 to 7. Our method is substantially different from previous analyses, as it does not rely on direct estimates of star formation rate, but on the differential evolution of the galaxy stellar mass function (SMF). We show the reliability of this approach by means of semianalytical and hydrodynamical cosmological simulations. We then apply it to real data, using the SMFs derived in the COSMOS and CANDELS fields. We find that the sSFR is proportional to (1 + z)(1.1) (+/-) (0.2) at z > 2, in agreement with other observations but in tension with the steeper evolution predicted by simulations from z similar to 4 to 2. We investigate the impact of several sources of observational bias, which, however, cannot account for this discrepancy. Although the SMF of high-redshift galaxies is still affected by significant errors, we show that future large-area surveys will substantially reduce them, making our method an effective tool to probe the massive end of the main sequence of star-forming galaxies.
Intermittent riverine resuspension effects on phosphorus transformations and heterotrophic bacteria
(2013)
Intermittent riverine resuspension (IRR), a common phenomenon, was applied to investigate its effects on sedimentary resources availability and bacteria in the water column. This lab experiment used organic-rich lowland river sediment in a newly designed erosion chamber, the Benthic Water Column Simulator, generating well-defined ratios of shear velocity u* to turbulence intensity. Eight consecutive resuspension events, 1-8, were initiated at u* = 1.1 cm s(-1). Sedimentary and phosphorus entrainment decreased from 20.4 g m(-2) h(-1) and 111.6 mg m(-2) h(-1) at event 1 to 1.31 g m(-2) h(-1) and 18.7 mg m(-2) h(-1) at event 8, suggesting an exhaustion of particulate and dissolved sediment constituents. Entrainment of particle-associated (PA) bacteria (132.7 x 10(9)-251.1 x 10(9) cells m(-2) h(-1)) was strongly correlated to that of particles. Free-living (FL) bacteria (-27.6 x 10(9)-36.4 x 10(9) cells m(-2) h(-1)) were fractionally entrained. Numbers of PA bacteria remained low after each event, whereas those of FL bacteria strongly increased 5-15 h after an event because of growth due to increased availability of dissolved organic carbon and inorganic nutrients following each event. FL bacteria community structure also changed during IRR. The systematic changes over consecutive IRR cycles show a strong effect in all considered parameters that elude the typical single-event, steady-state experiments. IRR should thus be considered in two respects: experimental protocols on riverine water quality should be revised. In ecosystem modeling, IRR should be considered to better predict extent and effect of resuspension. Only IRR adequately reflects the natural interplay between hydrodynamics and organisms in rivers.
Bioenergetic approaches are increasingly used to understand how marine mammal populations could be affected by a changing and disturbed aquatic environment. There remain considerable gaps in our knowledge of marine mammal bioenergetics, which hinder the application of bioenergetic studies to inform policy decisions. We conducted a priority-setting exercise to identify high-priority unanswered questions in marine mammal bioenergetics, with an emphasis on questions relevant to conservation and management. Electronic communication and a virtual workshop were used to solicit and collate potential research questions from the marine mammal bioenergetic community. From a final list of 39 questions, 11 were identified as 'key'questions because they received votes from at least 50% of survey participants. Key questions included those related to energy intake (prey landscapes, exposure to human activities) and expenditure (field metabolic rate, exposure to human activities, lactation, time-activity budgets), energy allocation priorities, metrics of body condition and relationships with survival and reproductive success and extrapolation of data from one species to another. Existing tools to address key questions include labelled water, animal-borne sensors, mark-resight data from long-term research programs, environmental DNA and unmanned vehicles. Further validation of existing approaches and development of new methodologies are needed to comprehensively address some key questions, particularly for cetaceans. The identification of these key questions can provide a guiding framework to set research priorities, which ultimately may yield more accurate information to inform policies and better conserve marine mammal populations.
Ziel Vergleich der Erkennungsgüte von drei Depressions-Screeninginstrumenten bei Patienten mit koronarer Herzerkrankung (KHK).
Methodik 1019 KHK-Patienten erhielten den Patient Health Questionnaire (PHQ-9 und PHQ-2) und die Hospital Anxiety and Depression Scale (HADS-D) sowie ein klinisches Interview (Composite International Diagnostic Interview) als Referenzstandard.
Ergebnisse Bezüglich der Erkennungsgüte waren PHQ-9 und HADS-D dem PHQ-2 überlegen. Optimale Cut-off-Werte waren 7 (PHQ-9 und HADS-D) und 2 (PHQ-2).
Schlussfolgerung PHQ-9 und HADS-D haben eine vergleichbare Diskriminationsfähigkeit für depressive Störungen bei KHK-Patienten.
Carbon Adsorbents from Spent Coffee for Removal of
Methylene Blue and Methyl Orange from Water
(2021)
Activated carbons (ACs) were prepared from dried spent coffee (SCD), a biological waste product, to produce adsorbents for methylene blue (MB) and methyl orange (MO) from aqueous solution. Pre-pyrolysis activation of SCD was achieved via treatment of the SCD with aqueous sodium hydroxide solutions at 90 °C. Pyrolysis of the pretreated SCD at 500 °C for 1 h produced powders with typical characteristics of AC suitable and effective for dye adsorption. As an alternative to the rather harsh base treatment, calcium carbonate powder, a very common and abundant resource, was also studied as an activator. Mixtures of SCD and CaCO3 (1:1 w/w) yielded effective ACs for MO and MB removal upon pyrolysis needing only small amounts of AC to clear the solutions. A selectivity of the adsorption process toward anionic (MO) or cationic (MB) dyes was not observed.
Carbon adsorbents from spent coffee for removal of methylene blue and methyl orange from water
(2021)
Activated carbons (ACs) were prepared from dried spent coffee (SCD), a biological waste product, to produce adsorbents for methylene blue (MB) and methyl orange (MO) from aqueous solution. Pre-pyrolysis activation of SCD was achieved via treatment of the SCD with aqueous sodium hydroxide solutions at 90 °C. Pyrolysis of the pretreated SCD at 500 °C for 1 h produced powders with typical characteristics of AC suitable and effective for dye adsorption. As an alternative to the rather harsh base treatment, calcium carbonate powder, a very common and abundant resource, was also studied as an activator. Mixtures of SCD and CaCO3 (1:1 w/w) yielded effective ACs for MO and MB removal upon pyrolysis needing only small amounts of AC to clear the solutions. A selectivity of the adsorption process toward anionic (MO) or cationic (MB) dyes was not observed.