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  • Springer Nature  (88,492)
  • American Physical Society  (55,775)
  • Wiley-Blackwell  (43,084)
  • American Geophysical Union  (26,549)
  • American Association for the Advancement of Science (AAAS)
  • International Union of Crystallography
  • 2020-2023  (365)
  • 2020-2022  (113,352)
  • 1980-1984  (121,161)
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  • 1
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    Millimeter wave spectroscopic measurements over the South Pole: 5. Morphology and evolution of HNO3vertical distribution, 1993 versus 1995 (2020)
    American Geophysical Union
    Details
    Publication Date: 2020-09-21
    Description: We compare differences and similarities in the annual stratospheric HNO3 cycle derived from ground‐based measurements at the South Pole during 1993 and 1995, after correcting an error in earlier published profile retrievals for 1993 which led to under estimation of mixing ratios. The data series presented here provide profiling over the range ∼16–48 km, and cover the fall‐winter‐spring cycle in the behavior of HNO3 in the extreme Antarctic with a large degree of temporal overlap. With the exception of one gap of 20 days, the combined data sets cover a full annual cycle. The record shows an increase in HNO3 above 30 km occurring about 20 days before sunset, which appears to be the result of higher altitude heterogeneous conversion of NOx as photolysis diminishes. Both years show a strong increase in HNO3 beginning about polar sunset, in a layer peaking at about 25 km, as additional NOx is heterogeneously converted to nitric acid. When temperatures drop to the polar stratospheric cloud (PSC) formation range near the end of May, gas phase HNO3 is rapidly reduced in the lower stratosphere, although at least 2–3 weeks of temperatures ≤192 K appear to be required to complete most of the gas‐phase removal at the upper end of the depletion range (22–25 km). Despite a significant difference in residual sulfate loading from the explosion of Mount Pinatubo, there appears to be little gross difference in the timing and effects of PSC formation in removing gas phase HNO3 in these 2 years, though removal may be more rapid in 1995. Incorporation of gas phase HNO3 into PSCs appears to be nearly complete up to ∼25 km by midwinter. We also see a repeat of the formation of gas phase HNO3 in the middle stratosphere in early midwinter of 1995 with about the same timing as in 1993, suggesting that this phenomenon is driven by a repetition of dynamical transport and appropriate temperatures and pressures in the polar night, and not (as has been suggested) by ion‐based heterogeneous chemistry that requires triggering by large relativistic electron fluxes. High‐altitude HNO3 production peaks during a period of ∼20 days, but appears to persist for up to ∼40 days in the 40–45 km range, ceasing well before sunrise. This HNO3 descends rapidly throughout the production period, at a rate in good agreement with theoretically determined midwinter subsidence rates. As noted in earlier studies, later warming of this region above PSC evaporation temperatures does not cause reappearance of large amounts of HNO3, indicating that most PSCs gravitationally sink out of the stratosphere before early spring. We present evidence that smaller PSCs do evaporate to ∼1 to 3.5 ppbv of HNO3 in the lower stratosphere, however, working downward from ∼25 km as temperatures rise during the late winter. There is a delay of ∼15 days after sunrise before photolysis causes significant depletion in the altitude range below ∼30 km, where subsidence has carried virtually all higher‐altitude HNO3 by polar sunrise. Some continued subsidence and photolysis combine to keep mixing ratios less than ∼5 ppbv below 30 km until the final breakdown of the vortex in November brings larger amounts of HNO3 with air from lower latitudes.
    Description: Published
    Description: 17739-17750
    Description: 5A. Ricerche polari e paleoclima
    Description: JCR Journal
    Keywords: ozone depletion ; HNO3 ; Antarctic stratosphere ; 01.01. Atmosphere
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 2
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    Applying the Values of Geoethics for Sustainable Speleotourism Development (2020)
    Springer Nature
    Details
    Publication Date: 2020-09-01
    Description: Establishing sustainable and responsible speleotourism development is a major challenge and involves complex activities. Adequate theoretical starting point is the application of geoethical values related to the conservation and protection of the caves to be used for touristic purposes. Positive and negative cases of human behaviors towards speleological geoheritage are discussed, in order to highlight what should be done in cave management to avoid malpractices and on what elements could be founded adequate strategies aimed at promoting sustainable speleotourism. This is important to tourism management organizations involved in the promotion of caves and in creating economic opportunities for local populations, while respecting cave ecosystems. Modern cave management must be focused on the protection of the cave ecosystems, finding ways to achieve at the same time an economic development of local communities. But this approach needs the adoption of a geoethical framework of values to be shared by all stakeholders involved so that successful cooperation can be achieved despite differences in interests and expectations. The aim of this paper is to raise the awareness about the need to apply the values of geoethics to speleotourism, stimulating new fields of discussion within the scientific and technical communities involved in studies and activities related to geotourism and geoheritage. The possibilities of developing new ways to manage caves, in order to promote a sustainable socio-economic development of local communities, have to be balanced with the protection of natural environments as much as possible. The proposed theoretical frameworks have the goal to increase the discussion on the best ways of connecting speleotourism to sustainable and responsible cave management, presenting two case studies, and pointing out potential solutions.
    Description: Open access funding provided by Istituto Nazionale di Geofisica e Vulcanologia within the CRUI-CARE Agreement
    Description: Published
    Description: id 73
    Description: 7SR AMBIENTE – Servizi e ricerca per la società
    Description: 1TM. Formazione
    Description: 2TM. Divulgazione Scientifica
    Description: JCR Journal
    Keywords: Geoethics ; Responsibility ; Sustainability ; Caves ; Speleotourism ; 05.03. Educational, History of Science, Public Issues ; 05.09. Miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 3
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    Magnitude-dependent epidemic-type aftershock sequences model for earthquakes (2020)
    American Physical Society
    Details
    Publication Date: 2020-10-16
    Description: We propose a version of the pure temporal epidemic type aftershock sequences (ETAS) model: the ETAS model with correlated magnitudes. As for the standard case, we assume the Gutenberg-Richter law to be the probability density for the magnitudes of the background events. Instead, the magnitude of the triggered shocks is assumed to be probabilistically dependent on that of the relative mother events. This probabilistic dependence is motivated by some recent works in the literature and by the results of a statistical analysis made on some seismic catalogs [Spassiani and Sebastiani, J. Geophys. Res. 121, 903 (2016)10.1002/2015JB012398]. On the basis of the experimental evidences obtained in the latter paper for the real catalogs, we theoretically derive the probability density function for the magnitudes of the triggered shocks proposed in Spassiani and Sebastiani and there used for the analysis of two simulated catalogs. To this aim, we impose a fundamental condition: averaging over all the magnitudes of the mother events, we must obtain again the Gutenberg-Richter law. This ensures the validity of this law at any event's generation when ignoring past seismicity. The ETAS model with correlated magnitudes is then theoretically analyzed here. In particular, we use the tool of the probability generating function and the Palm theory, in order to derive an approximation of the probability of zero events in a small time interval and to interpret the results in terms of the interevent time between consecutive shocks, the latter being a very useful random variable in the assessment of seismic hazard.
    Description: Published
    Description: 042134
    Description: 6T. Studi di pericolosità sismica e da maremoto
    Description: JCR Journal
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 4
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    Probabilistic Seismic Hazard Analysis at Regional and National Scales: State of the Art and Future Challenges (2020)
    American Geophysical Union
    Details
    Publication Date: 2020-09-01
    Description: Seismic hazard modeling is a multidisciplinary science that aims to forecast earthquake occurrence and its resultant ground shaking. Such models consist of a probabilistic framework that quantifies uncertainty across a complex system; typically, this includes at least two model components developed from Earth science: seismic source and ground motion models. Although there is no scientific prescription for the forecast length, the most common probabilistic seismic hazard analyses consider forecasting windows of 30 to 50 years, which are typically an engineering demand for building code purposes. These types of analyses are the topic of this review paper. Although the core methods and assumptions of seismic hazard modeling have largely remained unchanged for more than 50 years, we review the most recent initiatives, which face the difficult task of meeting both the increasingly sophisticated demands of society and keeping pace with advances in scientific understanding. A need for more accurate and spatially precise hazard forecasting must be balanced with increased quantification of uncertainty and new challenges such as moving from time‐independent hazard to forecasts that are time dependent and specific to the time period of interest. Meeting these challenges requires the development of science‐driven models, which integrate all information available, the adoption of proper mathematical frameworks to quantify the different types of uncertainties in the hazard model, and the development of a proper testing phase of the model to quantify its consistency and skill. We review the state of the art of the National Seismic Hazard Modeling and how the most innovative approaches try to address future challenges.
    Description: Published
    Description: e2019RG000653
    Description: 6T. Studi di pericolosità sismica e da maremoto
    Description: JCR Journal
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 5
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    On the correlation between solar activity and large earthquakes worldwide (2021)
    Springer Nature
    Details
    Publication Date: 2021-03-03
    Description: Large earthquakes occurring worldwide have long been recognized to be non Poisson distributed, so involving some large scale correlation mechanism, which could be internal or external to the Earth. Till now, no statistically significant correlation of the global seismicity with one of the possible mechanisms has been demonstrated yet. In this paper, we analyze 20 years of proton density and velocity data, as recorded by the SOHO satellite, and the worldwide seismicity in the corresponding period, as reported by the ISC-GEM catalogue. We found clear correlation between proton density and the occurrence of large earthquakes (M 〉 5.6), with a time shift of one day. The significance of such correlation is very high, with probability to be wrong lower than 10-5. The correlation increases with the magnitude threshold of the seismic catalogue. A tentative model explaining such a correlation is also proposed, in terms of the reverse piezoelectric effect induced by the applied electric field related to the proton density. This result opens new perspectives in seismological interpretations, as well as in earthquake forecast.
    Description: Published
    Description: 11495
    Description: 7T. Variazioni delle caratteristiche crostali e precursori sismici
    Description: JCR Journal
    Keywords: correlation ; solar activity ; large earthquakes worldwide
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 6
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    Assessment of earthquake locations in 3D deterministic velocity models: a case study from the Altotiberina Near Fault Observatory (Italy) (2020)
    American Geophysical Union
    Details
    Publication Date: 2021-07-14
    Description: An edited version of this paper was published by AGU. Copyright (2016) American Geophysical Union.
    Description: The accuracy of earthquake locations and their correspondence with subsurface geology depends strongly on the accuracy of the available seismic velocity model. Most modern methods to construct a velocity model for earthquake location are based on the inversion of passive source seismological data. Another approach is the integration of high-resolution geological and geophysical data to construct deterministic velocity models in which earthquake locations can be directly correlated to the geological structures. Such models have to be kinematically consistent with independent seismological data in order to provide precise hypocenter solutions. We present the Altotiberina (AT) seismic model, a three-dimensional velocity model for the Upper Tiber Valley region (Northern Apennines, Italy), constructed by combining 300 km of seismic reflection profiles, 6 deep boreholes (down to 5 km depth), detailed data from geological surveys and direct measurements of P- and S-wave velocities performed in situ and in laboratory. We assess the robustness of the AT seismic model by locating 11,713 earthquakes with a non-linear, global-search inversion method and comparing the probabilistic hypocenter solutions to those calculated in three previously published velocity models, constructed by inverting passive seismological data only. Our results demonstrate that the AT seismic model is able to provide higher-quality hypocenter locations than the previous velocity models. Earthquake locations are consistent with the subsurface geological structures and show a high degree of spatial correlation with specific lithostratigraphic units, suggesting a lithological control on the seismic activity evolution.
    Description: Published
    Description: 8113-8135
    Description: 4T. Sismicità dell'Italia
    Description: JCR Journal
    Keywords: deterministic velocity model ; earthquakes ; nonlinear hypocenter location ; lithological control on seismicity ; 04. Solid Earth::04.06. Seismology::04.06.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 7
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    Intercomparison of stratospheric HNO3measurements over Antarctica: Ground-based millimeter-wave versus UARS/MLS Version 5 retrievals (2020)
    American Geophysical Union
    Details
    Publication Date: 2020-09-21
    Description: [1] We present the first intercomparison between the two most comprehensive records of gas‐phase HNO3 profiles in the Antarctic stratosphere, covering the greater part of 1993 and 1995. We compare measurements by the Stony Brook Ground‐Based Millimeter‐wave Spectrometer (GBMS) at the South Pole with Version 5 HNO3 data from the Microwave Limb Sounder (MLS) aboard the Upper Atmospheric Research Satellite. Trajectory tracing was used to select MLS measurements in the 70°–80°S latitude band that sampled air observed by the GBMS during passage over the Pole. When temperatures were near the HNO3 condensation range, additional screening was performed to select MLS measurements that sampled air parcels within 1.5 K of the temperature they experienced over the Pole. Quantitative comparisons are given at 7 different potential temperature levels spanning the range ∼19–30 km. Agreement between the data sets is quite good between 465 and 655 K (∼20–25 km) during a large fraction of the year. Agreement is best during winter and spring, when seasonally averaged differences are generally within 1 ppbv below ∼25 km. At higher altitudes, and during summer and fall, the agreement becomes worse, and GBMS measurements can exceed MLS values by more than 3 ppbv. We provide evidence that differences occurring in the lower stratosphere during fall are due to lack of colocation between the two data sets during a period of strong poleward gradients in HNO3. Remaining discrepancies between GBMS and MLS V5 HNO3 measurements are thought to be due to instrumental or retrieval biases.
    Description: Published
    Description: id 4809
    Description: 5A. Ricerche polari e paleoclima
    Description: JCR Journal
    Keywords: MLS ; Nitric acid ; polar stratosphere ; 01.01. Atmosphere
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 8
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    Tracking the recent dynamics of Mt. Vesuvius from joint investigations of ground deformation, seismicity and geofluid circulation (2021)
    Springer Nature
    Details
    Publication Date: 2021-01-15
    Description: We reconstruct the composite dynamics of Mt. Vesuvius volcano in the period 2012–2019 from the study of ground deformation, seismicity, and geofluid (groundwater and fumarolic fluids) circulation and recognize complex spatio-temporal variations in these observables at medium (years) and short (months) time-scales. We interpret the observed patterns as the combined effect of structural changes affecting the volcanic edifice and variations of the dynamics of the hydrothermal system. In particular, we identify a change in the activity state of Mt. Vesuvius. After the activity reached minimum levels in 2014, the centroid of the surface manifestations migrated towards the SE. Episodic variations of co-seismic and aseismic deformation and fluid release, if analysed separately, would likely have been interpreted as pseudo-random oscillations of the background geophysical and geochemical signals. When organised in a comprehensive, multiparametric fashion, they shed light on the evolution of the volcano in 4D (x,y,z, time) space. These inferences play a crucial role in the formulation of civil protection scenarios for Mt. Vesuvius, a high risk, densely urbanized volcanic area which has never experienced unrest episodes in the modern era of instrumental volcanology.
    Description: Published
    Description: 965
    Description: 2V. Struttura e sistema di alimentazione dei vulcani
    Description: JCR Journal
    Keywords: recent dynamics ; Mt. Vesuvius ; investigations ; ground deformation ; seismicity ; geofluid circulation
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 9
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    Tropical Rains Controlling Deposition of Saharan Dust Across the North Atlantic Ocean (2020)
    American Geophysical Union
    In:  EPIC3Geophysical Research Letters, American Geophysical Union, 47(5), ISSN: 0094-8276
    Details
    Publication Date: 2020-05-13
    Description: Mineral dust plays an important role in the atmospheric radiation budget as well as in the ocean carbon cycle through fertilization and by ballasting of settling organic matter. However, observational records of open‐ocean dust deposition are sparse. Here, we present the spatial and temporal evolution of Saharan dust deposition over 2 years from marine sediment traps across the North Atlantic, directly below the core of the Saharan dust plume, with highest dust fluxes observed in summer. We combined the observed deposition fluxes with model simulations and satellite observations and argue that dust deposition in the Atlantic is predominantly controlled by summer rains. The dominant depositional pathway changes from wet deposition in summer to dry deposition in winter. Wet deposition has previously been suggested to increase the release of dust‐derived nutrients and their bioavailability, which may be a key contributor to surface‐ocean productivity in remote and oligotrophic parts of the oceans.
    Repository Name: EPIC Alfred Wegener Institut
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  • 10
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    Niche-based assembly of bacterial consortia on the diatom Thalassiosira rotula is stable and reproducible (2020)
    Springer Nature
    In:  EPIC3The Isme Journal, Springer Nature
    Details
    Publication Date: 2020-03-26
    Description: With each cell division, phytoplankton create new space for primary colonization by marine bacteria. Although this surface microenvironment is available to all planktonic bacterial colonizers, we show the assembly of bacterial consortia on a cosmopolitan marine diatom to be highly specific and reproducible. While phytoplankton–bacteria interactions play fundamental roles in marine ecosystems, namely primary production and the carbon cycle, the ecological paradigm behind epiphytic microbiome assembly remains poorly understood. In a replicated and repeated primary colonization experiment, we exposed the axenic diatom Thalassiosira rotula to several complex and compositionally different bacterial inocula derived from phytoplankton species of varying degrees of relatedness to the axenic Thalassiosira host or natural seawater. This revealed a convergent assembly of diverse and compositionally different bacterial inocula, containing up to 2071 operational taxonomic units (OTUs), towards a stable and reproducible core community. Four of these OTUs already accounted for a cumulative abundance of 60%. This core community was dominated by Rhodobacteraceae (30.5%), Alteromonadaceae (27.7%), and Oceanospirillales (18.5%) which was qualitatively and quantitatively most similar to its conspecific original. These findings reject a lottery assembly model of bacterial colonization and suggest selective microhabitat filtering. This is likely due to diatom host traits such as surface properties and different levels of specialization resulting in reciprocal stable-state associations.
    Repository Name: EPIC Alfred Wegener Institut
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  • 11
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    Arctic Continental Margin Sediments as Possible Fe and Mn Sources to Seawater as Sea Ice Retreats: Insights From the Eurasian Margin (2020)
    American Geophysical Union
    In:  EPIC3Global Biogeochemical Cycles, American Geophysical Union, 34(8), ISSN: 0886-6236
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    Publication Date: 2020-09-02
    Repository Name: EPIC Alfred Wegener Institut
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  • 12
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    Circadian regulation of diel vertical migration (DVM) in Antarctic krill (Euphausia superba) and its link with photoperiod and circadian clock activity (2020)
    Springer Nature
    In:  EPIC3Scientific Reports, Springer Nature
    Details
    Publication Date: 2020-11-25
    Description: Antarctic krill (Euphausia superba) are high latitude pelagic organisms which play a key ecological role in the ecosystem of the Southern Ocean. To synchronize their daily and seasonal life-traits with their highly rhythmic environment, krill rely on the implementation of rhythmic strategies which might be regulated by a circadian clock. A recent analysis of krill circadian transcriptome revealed that their clock might be characterized by an endogenous free-running period of about 12–15 h. Using krill exposed to simulated light/dark cycles (LD) and constant darkness (DD), we investigated the circadian regulation of krill diel vertical migration (DVM) and oxygen consumption, together with daily patterns of clock gene expression in brain and eyestalk tissue. In LD, we found clear 24 h rhythms of DVM and oxygen consumption, suggesting a synchronization with photoperiod. In DD, the DVM rhythm shifted to a 12 h period, while the peak of oxygen consumption displayed a temporal advance during the subjective light phase. This suggested that in free-running conditions the periodicity of these clock-regulated output functions might reflect the shortening of the endogenous period observed at the transcriptional level. Moreover, differences in the expression patterns of clock gene in brain and eyestalk, in LD and DD, suggested the presence in krill of a multiple oscillator system. Evidence of short periodicities in krill behavior and physiology further supports the hypothesis that a short endogenous period might represent a circadian adaption to cope with extreme seasonal photoperiodic variability at high latitude.
    Repository Name: EPIC Alfred Wegener Institut
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  • 13
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    Vulnerability of the North Water ecosystem to climate change (2021)
    Springer Nature
    In:  EPIC3Nature Communications, Springer Nature, 12, pp. 4475, ISSN: 2041-1723
    Details
    Publication Date: 2021-08-02
    Description: High Arctic ecosystems and Indigenous livelihoods are tightly linked and exposed to climate change, yet assessing their sensitivity requires a long-term perspective. Here, we assess the vulnerability of the North Water polynya, a unique seaice ecosystem that sustains the world’s northernmost Inuit communities and several keystone Arctic species. We reconstruct mid-tolate Holocene changes in sea ice, marine primary production, and little auk colony dynamics through multi-proxy analysis of marine and lake sediment cores. Our results suggest a productive ecosystem by 4400–4200 cal yrs b2k coincident with the arrival of the first humans in Greenland. Climate forcing during the late Holocene, leading to periods of polynya instability and marine productivity decline, is strikingly coeval with the human abandonment of Greenland from c. 2200–1200 cal yrs b2k. Our long-term perspective highlights the future decline of the North Water ecosystem, due to climate warming and changing sea-ice conditions, as an important climate change risk.
    Repository Name: EPIC Alfred Wegener Institut
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  • 14
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    Travel Time and Source Variation Explain the Molecular Transformation of Dissolved Organic Matter in an Alpine Stream Network (2020)
    Wiley-Blackwell
    In:  EPIC3JGR Biogeosciences, Wiley-Blackwell, ISSN: 2169-8961
    Details
    Publication Date: 2020-09-21
    Description: Streams and rivers are important components of the carbon cycle as they transport and transform dissolved organic matter (DOM). Using high‐resolution Fourier‐transform ion cyclotron resonance mass spectrometry, we studied the spatial distribution of DOM at the molecular level at more than 100 sites across a stream network during summer and winter baseflow. We developed a model approximating the time DOM spent in the fluvial network, a key constraint on the biogeochemical processing of DOM. Discharge‐weighted travel time explained the compositional changes of DOM, which differed markedly in summer and winter. We attribute these seasonal differences to variation in source material, putatively reflecting the dynamics of freshly produced DOM in summer and DOM with an imprint of leaf litter in winter. Hydrological mixing was an important driver of the spatial dynamics of DOM. From the convergence rate of DOM compound intensities to the network‐wide average, we inferred the spatial distribution of sources within the catchment. Finally, we estimated network‐wide apparent mass transfer coefficients (vf app) of individual DOM compounds, which describe the vertical velocity at which DOM compounds are removed by biotic and abiotic processes. We identified the oxidative state of carbon as an important factor explaining vf app, which we consequently attribute to biological uptake of thermodynamically favorable DOM compounds. This work contributes to our understanding of the spatial processes, temporal constraints, and chemical properties of DOM that regulate the transformation and diagenesis of DOM at the fluvial network scale.
    Repository Name: EPIC Alfred Wegener Institut
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  • 15
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    Ice flow and the conditions of the ice-bed interface at the onset of the Northeast Greenland Ice Stream (2020)
    American Geophysical Union
    In:  EPIC3AGU Fall Meeting 2020 - Online Everywhere, Online, 2020-12-01-2020-12-17American Geophysical Union
    Details
    Publication Date: 2020-12-15
    Description: The Northeast Greenland Ice Stream (NEGIS) is an important dynamic component contributing to the total mass balance of the Greenland ice sheet, as it reaches up to the central divide and drains 12% of the ice sheet. The ice stream geometry and surface velocities in the onset region of the NEGIS are not yet sufficiently well reproduced by ice sheet models. We present an assessment of the basal conditions of the onset region in a systematic analysis of airborne ultra-wideband radar data. Our data yield a new detailed model of ice-thickness distribution and basal topography in the upstream part of the ice stream. We observe a change from a smooth to a rougher bed where the ice stream widens from 10 to 60 km, and a distinct roughness anisotropy, indicating a preferred orientation of subglacial structures. The observation of off-nadir reflections that are symmetrical to the bed reflection in the radargrams suggests that these structures are elongated subglacial landforms, which in turn indicate potential streamlining of the bed. Together with basal water routing pathways, our observations hint to two different zones in this part of the NEGIS: an accelerating and smooth upstream region, which is collecting water, with reduced basal traction, and in the further downstream part, where the ice stream is slowing down and is widening, with a distribution of basal water towards the shear margins. Our findings support the hypothesis that the NEGIS is strongly interconnected to the subglacial water system in its onset region, but also to the subglacial substrate and morphology.
    Repository Name: EPIC Alfred Wegener Institut
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  • 16
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    A new global ice sheet reconstruction for the past 80 000 years (2021)
    Springer Nature
    In:  EPIC3Nature Communications, Springer Nature, 12(1199), pp. 1-9, ISSN: 2041-1723
    Details
    Publication Date: 2021-07-01
    Description: The evolution of past global ice sheets is highly uncertain. One example is the missing ice problem during the Last Glacial Maximum (LGM, 26 000-19 000 years before present) – an apparent 8-28 m discrepancy between far-field sea level indicators and modelled sea level from ice sheet reconstructions. In the absence of ice sheet reconstructions, researchers often use marine δ 18 O proxy records to infer ice volume prior to the LGM. We present a global ice sheet reconstruction for the past 80 000 years, called PaleoMIST 1.0, constructed inde- pendently of far-field sea level and δ 18 O proxy records. Our reconstruction is compatible with LGM far-field sea-level records without requiring extra ice volume, thus solving the missing ice problem. However, for Marine Isotope Stage 3 (57 000-29 000 years before present) - a pre-LGM period - our reconstruction does not match proxy-based sea level reconstructions, indicating the relationship between marine δ 18 O and sea level may be more complex than assumed.
    Repository Name: EPIC Alfred Wegener Institut
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  • 17
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    Simulated Thermohaline Fingerprints in Response to Different Greenland‐Scotland Ridge and Fram Strait Subsidence Histories (2020)
    American Geophysical Union
    In:  EPIC3Paleoceanography and Paleoclimatology, American Geophysical Union, 35, ISSN: 2572-4525
    Details
    Publication Date: 2021-02-16
    Description: Changes in ocean gateway configuration can induce basin‐scale rearrangements in ocean current characteristics. However, there is large uncertainty in the relative timing of the Oligocene/Miocene subsidence histories of the Greenland‐Scotland Ridge (GSR) and the Fram Strait (FS). By using a climate model, we investigate the temperature and salinity changes in response to the subsidence of these two key ocean gateways during early to middle Miocene. For a singular subsidence of the GSR, we detect warming and a salinity increase in the Nordic Seas and the Arctic Ocean. As convection sites shift to the north of Iceland, North Atlantic Deep Water (NADW) is formed at cooler temperatures. The associated deep ocean cooling and upwelling of deep waters to the Southern Ocean surface can cause a cooling in the southern high latitudes. These characteristic responses to the GSR deepening are independent of the FS being shallow or deep. An isolated subsidence of the FS gateway for a deep GSR shows less pronounced warming and salinity increase in the Nordic Seas. Arctic temperatures remain unaltered, but a stronger salinity increase is detected, which further increases the density of NADW. The increase in salinity enhances the contribution of NADW to the abyssal ocean at the expense of the colder southern source water component. These relative changes largely counteract each other and cause a negligible warming in the upwelling regions of the Southern Ocean.
    Repository Name: EPIC Alfred Wegener Institut
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    Thermal reaction norms of key metabolic enzymes reflect divergent physiological and behavioral adaptations of closely related amphipod species (2021)
    Springer Nature
    In:  EPIC3Scientific Reports, Springer Nature, 11(4562)
    Details
    Publication Date: 2021-03-08
    Description: Lake Baikal is inhabited by more than 300 endemic amphipod species, which are narrowly adapted to certain thermal niches due to the high interspecific competition. In contrast, the surrounding freshwater fauna is commonly represented by species with large‐scale distribution and high phenotypic thermal plasticity. Here, we investigated the thermal plasticity of the energy metabolism in two closely‐related endemic amphipod species from Lake Baikal (Eulimnogammarus verrucosus; stenothermal and Eulimnogammarus cyaneus; eurythermal) and the ubiquitous Holarctic amphipod Gammarus lacustris (eurythermal) by exposure to a summer warming scenario (6–23.6 °C; 0.8 °C d−1). In concert with routine metabolic rates, activities of key metabolic enzymes increased strongly with temperature up to 15 °C in E. verrucosus, whereupon they leveled off (except for lactate dehydrogenase). In contrast, exponential increases were seen in E. cyaneus and G. lacustris throughout the thermal trial (Q10‐values: 1.6–3.7). Cytochrome‐c‐oxidase, lactate dehydrogenase, and 3‐hydroxyacyl‐CoA dehydrogenase activities were found to be higher in G. lacustris than in E. cyaneus, especially at the highest experimental temperature (23.6 °C). Decreasing gene expression levels revealed some thermal compensation in E. cyaneus but not in G. lacustris. In all species, shifts in enzyme activities favored glycolytic energy generation in the warmth. The congruent temperature‐ dependencies of enzyme activities and routine metabolism in E. verrucosus indicate a strong feedback‐ regulation of enzymatic activities by whole organism responses. The species‐specific thermal reaction norms reflect the different ecological niches, including the spatial distribution, distinct thermal behavior such as temperature‐dependent migration, movement activity, and mating season.
    Repository Name: EPIC Alfred Wegener Institut
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    Iron and sulfate reduction structure microbial communities in (sub-)Antarctic sediments (2021)
    Springer Nature
    In:  EPIC3The ISME Journal, Springer Nature
    Details
    Publication Date: 2021-06-30
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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    Planet Microbe: An Ontology-Enriched Cyberinfrastructure System for FAIR Marine ‘Omics Data (2020)
    American Geophysical Union
    In:  EPIC3Ocean Sciences Meeting 2020, 2020-02-16-2020-02-21American Geophysical Union
    Details
    Publication Date: 2020-02-12
    Repository Name: EPIC Alfred Wegener Institut
    Type: Conference , notRev
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    Antarctic Circumpolar Current Dynamics at the Pacific Entrance to the Drake Passage Over the Past 1.3 Million Years (2020)
    American Geophysical Union
    In:  EPIC3Paleoceanography and Paleoclimatology, American Geophysical Union, 35(7), pp. e2019PA003773, ISSN: 2572-4525
    Details
    Publication Date: 2021-02-01
    Description: The Antarctic Circumpolar Current (ACC) is the world's largest current system connecting all three major basins of the global ocean. Our knowledge of glacial‐interglacial changes in ACC dynamics in the southeast Pacific is not well constrained and presently only based on reconstructions covering the last glacial cycle. Here we use a combination of mean sortable silt grain size of the terrigenous sediment fraction (10–63 μm, "Sortable Silt") and X‐ray fluorescence scanner‐derived Zr/Rb ratios as flow strength proxies to examine ACC variations at the Pacific entrance to the Drake Passage (DP) in the vicinity of the Subantarctic Front. Our results indicate that at the DP entrance, ACC strength varied by ~6–16% on glacial‐interglacial time scales, yielding higher current speeds during interglacial times and reduced current speeds during glacials. We provide evidence that previous observations of a reduction in DP throughflow during the last glacial period are part of a consistent pattern extending for at least the last 1.3 Ma. The orbital‐scale cyclicity follows well‐known global climate changes from prevailing ca. 41‐kyr cycles in the early part of the record (1.3 Ma to 850 ka; marine isotope stage 21) across the mid‐Pleistocene transition into the middle and late Pleistocene 100‐kyr world. A comparison to a bottom water flow record from the deep western boundary current off New Zealand (Ocean Drilling Program Site 1123) reveals anti‐phased changes between the two sites. The enhanced supply of deep water along the DP and into the Atlantic Ocean during interglacials corresponds to a weakened flow of the SW Pacific deep western boundary current.
    Repository Name: EPIC Alfred Wegener Institut
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    On the curious case of the recent decade, mid-spring precipitation deficit in central Europe (2020)
    Springer Nature
    In:  EPIC3npj Climate and Atmospheric Science, Springer Nature, 3(1), pp. 49, ISSN: 2397-3722
    Details
    Publication Date: 2021-01-04
    Description: Central Europe has experienced a severe drought almost every April for the last 14 years consecutively, driven by record high temperatures, low flows, high evapotranspiration, and high soil moisture deficit. The dynamic of this recent and recurrent mid-spring dryness is not yet understood. Here we show that the period 2007â€``2020 was characterized by a reduction of ~50% of the usual April rainfall amount over large areas in central Europe. The precipitation deficit and the record high temperatures were triggered by a multiyear recurrent high-pressure system centered over the North Sea and northern Germany and a decline in the temperature gradient between the Arctic region and the mid-latitudes, which diverted the Atlantic storm tracks northward. From a long-term perspective, the precipitation, temperature, and soil moisture anomalies observed over the last 14 years have reached the highest amplitudes over the observational record. Our study provides an in-depth analysis of the hydroclimate extremes in central Europe over the last 140 years and their atmospheric drivers, enabling us to increase our dynamical understating of long-term dry periods, which is vital to enhance forecasting and mitigation of such events.
    Repository Name: EPIC Alfred Wegener Institut
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    Observed interannual changes beneath Filchner-Ronne Ice Shelf linked to large-scale atmospheric circulation (2021)
    Springer Nature
    In:  EPIC3Nature Communications, Springer Nature, 12(1), ISSN: 2041-1723
    Details
    Publication Date: 2021-06-16
    Description: Floating ice shelves are the Achilles’ heel of the Antarctic Ice Sheet. They limit Antarctica’s contribution to global sea level rise, yet they can be rapidly melted from beneath by a warming ocean. At Filchner-Ronne Ice Shelf, a decline in sea ice formation may increase basal melt rates and accelerate marine ice sheet mass loss within this century. However, the understanding of this tipping-point behavior largely relies on numerical models. Our new multi-annual observations from five hot-water drilled boreholes through Filchner-Ronne Ice Shelf show that since 2015 there has been an intensification of the density-driven ice shelf cavity-wide circulation in response to reinforced wind-driven sea ice formation in the Ronne polynya. Enhanced southerly winds over Ronne Ice Shelf coincide with westward displacements of the Amundsen Sea Low position, connecting the cavity circulation with changes in large-scale atmospheric circulation patterns as a new aspect of the atmosphere-ocean-ice shelf system.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev , info:eu-repo/semantics/article
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  • 24
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    Year-round population dynamics of Limacina spp. early stages in a high-Arctic fjord (Adventfjorden, Svalbard) (2021)
    Springer Nature
    In:  EPIC3Polar Biology, Springer Nature, 44(8), pp. 1605-1618, ISSN: 0722-4060
    Details
    Publication Date: 2021-07-27
    Description: The thecosome pteropods Limacina helicina and L. retroversa are important contributors to the zooplankton community in high-latitude environments but little is known about their distribution and life cycle under polar conditions. We collected the early life stages (〈 1 mm) of the thecosome population in 2012 and 2013 at a bi-weekly to monthly resolution in fjord highly influenced by Arctic waters as well as Atlantic inflows (Adventfjorden, Svalbard, 78°N), together with environmental parameters. L. retroversa only occurred episodically, in association with the inflow of Atlantic water, with low numbers and random size distributions. This suggests that this boreal species does not fulfill its life cycle in Adventfjorden. In contrast, young specimens of L. helicina were present during the entire study. Veligers hatched in late summer/autumn and measured 0.14 mm on average. They grew with rates of 0.0006 mm day− 1 over the 10–11 months of development. Only thereafter, growth accelerated by one order of magnitude and maximal rates were reached in autumn (0.0077 mm day− 1). Our results indicate that L. helicina reaches a size of 1 mm after approximately 1.5 years in Adventfjorden. We therefore suggest that L. helicina overwinters the first year as a small juvenile and that it needs at least 2 years to reach an adult size of 5 mm in Adventfjorden. This reveals an complex and delicate aspect of the life-cycle of L. helicina and further research is needed to determine if it makes the population especially vulnerable towards climate changes.
    Repository Name: EPIC Alfred Wegener Institut
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    Facilitated crystal handling using a simple device for evaporation reduction in microtiter plates (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-30
    Description: In the past two decades, most of the steps in a macromolecular crystallography experiment have undergone tremendous development with respect to speed, feasibility and increase of throughput. The part of the experimental workflow that is still a bottleneck, despite significant efforts, involves the manipulation and harvesting of the crystals for the diffraction experiment. Here, a novel low‐cost device is presented that functions as a cover for 96‐well crystallization plates. This device enables access to the individual experiments one at a time by its movable parts, while minimizing evaporation of all other experiments of the plate. In initial tests, drops of many typically used crystallization cocktails could be successfully protected for up to 6 h. Therefore, the manipulation and harvesting of crystals is straightforward for the experimenter, enabling significantly higher throughput. This is useful for many macromolecular crystallography experiments, especially multi‐crystal screening campaigns.
    Description: A simple and low‐cost device has been developed to minimize evaporation in microtiter plates for easy crystal handling and harvesting. image
    Keywords: 548 ; evaporation reduction ; crystal handling ; crystal harvesting ; crystallographic fragment screening
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    Cation distribution in Cu2ZnSnSe4, Cu2FeSnS4 and Cu2ZnSiSe4 by multiple‐edge anomalous diffraction (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-30
    Description: Multiple‐Edge Anomalous Diffraction (MEAD) has been applied to various quaternary sulfosalts belonging to the adamantine compound family in order to validate the distribution of copper, zinc and iron cations in the structure. Semiconductors from this group of materials are promising candidates for photovoltaic applications. Their properties strongly depend on point defects, in particular related to cation order–disorder. However, Cu+, Zn2+ and Fe2+ have very similar scattering factors and are all but indistinguishable in usual X‐ray diffraction experiments. Anomalous diffraction utilizes the dependency of the atomic scattering factors f′ and f′′ of the energy of the radiation, especially close to the element‐specific absorption edges. In the MEAD technique, individual Bragg peaks are tracked over an absorption edge. The intensity changes depending on the structure factor can be highly characteristic for Miller indices selected for a specific structural problem, but require very exact measurements. Beamline KMC‐2 at synchrotron BESSY II, Berlin, has been recently upgraded for this technique. Anomalous X‐ray powder diffraction and XAFS compliment the data. Application of this technique confirmed established cation distribution in Cu2ZnSnSe4 (CZTSe) and Cu2FeSnS4 (CFTS). In contrast to the literature, cation distribution in Cu2ZnSiSe4 (CZSiSe) is shown to adopt a highly ordered wurtz‐kesterite structure type.
    Description: Multiple‐Edge Anomalous Diffraction (MEAD) has been applied to various quaternary sulfosalts belonging to the adamantine compound family in order to validate the distribution of copper, zinc and iron cations in the structure. Application of this technique confirms established cation distribution in Cu2ZnSnSe4 (CZTSe) and Cu2FeSnS4 (CFTS), but in Cu2ZnSiSe4 (CZSiSe) the cation distribution is shown to adopt a highly ordered wurtz‐kesterite structure type in contrast to the literature. image
    Keywords: 548 ; synchrotron ; anomalous diffraction ; semiconductor ; MEAD
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  • 27
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    The copper(II)‐binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-27
    Description: The growth of diffraction‐quality crystals and experimental phasing remain two of the main bottlenecks in protein crystallography. Here, the high‐affinity copper(II)‐binding tripeptide GHK was fused to the N‐terminus of a GFP variant and an MBP‐FG peptide fusion. The GHK tag promoted crystallization, with various residues (His, Asp, His/Pro) from symmetry molecules completing the copper(II) square‐pyramidal coordination sphere. Rapid structure determination by copper SAD phasing could be achieved, even at a very low Bijvoet ratio or after significant radiation damage. When collecting highly redundant data at a wavelength close to the copper absorption edge, residual S‐atom positions could also be located in log‐likelihood‐gradient maps and used to improve the phases. The GHK copper SAD method provides a convenient way of both crystallizing and phasing macromolecular structures, and will complement the current trend towards native sulfur SAD and MR‐SAD phasing.
    Description: A novel three‐residue tag containing the residues GHK that can be used to promote crystallization and in SAD phasing experiments using its tightly bound copper ion is described. image
    Keywords: 548 ; phasing ; crystallization ; GHK ; SAD
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    Determining paracrystallinity in mixed‐tacticity polyhydroxybutyrates (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-30
    Description: Recently, the authors reported on the development of crystallinity in mixed‐tacticity polyhydroxybutyrates. Comparable values reported in the literature vary depending on the manner of determination, the discrepancies being partially attributable to scattering from paracrystalline portions of the material. These portions can be qualified by peak profile fitting or quantified by allocation of scattered X‐ray intensities. However, the latter requires a good quality of the former, which in turn must additionally account for peak broadening inherent in the measurement setup, and due to limited crystallite sizes and the possible presence of microstrain. Since broadening due to microstrain and paracrystalline order both scale with scattering vector, they are easily confounded. In this work, a method to directionally discern these two influences on the peak shape in a Rietveld refinement is presented. Allocating intensities to amorphous, bulk and paracrystalline portions with changing tactic disturbance provided internal validations of the obtained directional numbers. In addition, the correlation between obtained thermal factors and Young's moduli, determined in earlier work, is discussed.
    Description: A method to robustly determine paracrystalline contents from Rietveld‐refined powder X‐ray data is presented and discussed for the example of mixed‐tacticity polyhydroxybutyrates. image
    Keywords: 548 ; polyhydroxybutyrates ; mixed tacticity ; paracrystallinity ; Rietveld refinement ; thermal factors
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    Concepts for nondestructive and depth‐resolved X‐ray residual stress analysis in the near‐surface region of nearly single crystalline materials with mosaic structure (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-27
    Description: Two evaluation concepts for nondestructive depth‐resolved X‐ray residual stress analysis in the near‐surface region of materials with cubic symmetry and nearly single crystalline structure are introduced by simulated examples. Both concepts are based on the same data acquisition strategy, which consists in the determination of lattice‐spacing depth profiles along the ⟨hkl⟩ poles by stepwise sample rotation around the scattering vector. Segmentation of these profiles parallel to the sample surface provides the lattice strain state as a function of depth. The first evaluation concept extends the crystallite group method developed for materials with pronounced crystallographic texture by the feature of depth resolution and can be applied to samples with arbitrary orientation. The second evaluation concept, which adapts the linear regression approach of the sin2ψ method for the case of single crystalline materials, is restricted to samples with (001) orientation. The influence of the strain‐free lattice parameter a0 on residual stress analysis using both evaluation concepts is discussed on the basis of explicitly derived relations.
    Description: Two data evaluation concepts are proposed for nondestructive and depth‐resolved X‐ray residual stress analysis by means of energy‐dispersive diffraction on materials featuring cubic symmetry and a nearly single crystalline structure. image
    Keywords: 548 ; residual stress ; X‐ray diffraction ; depth‐resolved analysis ; mosaic crystals
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    X‐ray dichroism in polyimide caused by non‐resonant scattering (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-30
    Description: Dichroism is one of the most important optical effects in both the visible and the X‐ray range. Besides absorption, scattering can also contribute to dichroism. This paper demonstrates that, based on the example of polyimide, materials can show tiny dichroism even far from electronic resonances due to scattering. Although the effect is small, it can lead to a measurable polarization change and might have influence on highly sensitive polarimetric experiments.
    Description: Aligned molecules, for example in polyimide foils, lead to small dichroism even far from resonances, which can be revealed by high‐precision X‐ray polarimetry. image
    Keywords: 548 ; polyimide ; polarization ; X‐ray polarimetry ; wide‐angle scattering ; X‐ray dichroism
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    Elastic stiffness coefficients of thiourea from thermal diffuse scattering (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-27
    Description: The complete elastic stiffness tensor of thiourea has been determined from thermal diffuse scattering (TDS) using high‐energy photons (100 keV). Comparison with earlier data confirms a very good agreement of the tensor coefficients. In contrast with established methods to obtain elastic stiffness coefficients (e.g. Brillouin spectroscopy, inelastic X‐ray or neutron scattering, ultrasound spectroscopy), their determination from TDS is faster, does not require large samples or intricate sample preparation, and is applicable to opaque crystals. Using high‐energy photons extends the applicability of the TDS‐based approach to organic compounds which would suffer from radiation damage at lower photon energies.
    Description: The elastic stiffness coefficients of thiourea are determined from thermal diffuse scattering. image
    Keywords: 548 ; thermal diffuse scattering ; elastic stiffness ; thiourea
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    Fast fitting of reflectivity data of growing thin films using neural networks (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-07-03
    Description: X‐ray reflectivity (XRR) is a powerful and popular scattering technique that can give valuable insight into the growth behavior of thin films. This study shows how a simple artificial neural network model can be used to determine the thickness, roughness and density of thin films of different organic semiconductors [diindenoperylene, copper(II) phthalocyanine and α‐sexithiophene] on silica from their XRR data with millisecond computation time and with minimal user input or a priori knowledge. For a large experimental data set of 372 XRR curves, it is shown that a simple fully connected model can provide good results with a mean absolute percentage error of 8–18% when compared with the results obtained by a genetic least mean squares fit using the classical Parratt formalism. Furthermore, current drawbacks and prospects for improvement are discussed.
    Description: Artificial neural networks trained with simulated data are shown to correctly and quickly determine film parameters from experimental X‐ray reflectivity curves.
    Keywords: 548 ; X‐ray reflectivity ; machine learning ; organic semi‐conductors ; neural networks
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    Numerically stable form factor of any polygon and polyhedron (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-05
    Description: Coordinate‐free expressions for the form factors of arbitrary polygons and polyhedra are derived using the divergence theorem and Stokes's theorem. Apparent singularities, all removable, are discussed in detail. Cancellation near the singularities causes a loss of precision that can be avoided by using series expansions. An important application domain is small‐angle scattering by nanocrystals.
    Description: Coordinate‐free expressions for the form factors of arbitrary polygons and polyhedra are derived using the divergence theorem and Stokes's theorem. Series expansions are used to ensure numeric precision close to apparent singularities. image
    Keywords: 548 ; form factors ; polyhedra ; Fourier shape transform
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    ROBL‐II at ESRF: a synchrotron toolbox for actinide research (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-30
    Description: ROBL‐II provides four different experimental stations to investigate actinide and other alpha‐ and beta‐emitting radionuclides at the new EBS storage ring of ESRF within an energy range of 3 to 35 keV. The XAFS station consists of a highly automatized, high sample throughput installation in a glovebox, to measure EXAFS and conventional XANES of samples routinely at temperatures down to 10 K, and with a detection limit in the sub‐p.p.m. range. The XES station with its five bent‐crystal analyzer, Johann‐type setup with Rowland circles of 1.0 and 0.5 m radii provides high‐energy resolution fluorescence detection (HERFD) for XANES, XES, and RIXS measurements, covering both actinide L and M edges together with other elements accessible in the 3 to 20 keV energy range. The six‐circle heavy duty goniometer of XRD‐1 is equipped for both high‐resolution powder diffraction as well as surface‐sensitive CTR and RAXR techniques. Single crystal diffraction, powder diffraction with high temporal resolution, as well as X‐ray tomography experiments can be performed at a Pilatus 2M detector stage (XRD‐2). Elaborate radioprotection features enable a safe and easy exchange of samples between the four different stations to allow the combination of several methods for an unprecedented level of information on radioactive samples for both fundamental and applied actinide and environmental research.
    Description: ROBL‐II at ESRF provides four experimental stations to investigate actinides with X‐ray absorption and emission spectroscopy, and with surface, high‐resolution powder, and single‐crystal X‐ray diffractometry.
    Keywords: 549 ; actinides ; EXAFS ; XANES ; HERFD‐XANES ; XAS ; XES ; RIXS ; XRD ; CTR ; RAXR ; surface diffraction
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    ATSAS 3.0: expanded functionality and new tools for small‐angle scattering data analysis (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-30
    Description: The ATSAS software suite encompasses a number of programs for the processing, visualization, analysis and modelling of small‐angle scattering data, with a focus on the data measured from biological macromolecules. Here, new developments in the ATSAS 3.0 package are described. They include IMSIM, for simulating isotropic 2D scattering patterns; IMOP, to perform operations on 2D images and masks; DATRESAMPLE, a method for variance estimation of structural invariants through parametric resampling; DATFT, which computes the pair distance distribution function by a direct Fourier transform of the scattering data; PDDFFIT, to compute the scattering data from a pair distance distribution function, allowing comparison with the experimental data; a new module in DATMW for Bayesian consensus‐based concentration‐independent molecular weight estimation; DATMIF, an ab initio shape analysis method that optimizes the search model directly against the scattering data; DAMEMB, an application to set up the initial search volume for multiphase modelling of membrane proteins; ELLLIP, to perform quasi‐atomistic modelling of liposomes with elliptical shapes; NMATOR, which models conformational changes in nucleic acid structures through normal mode analysis in torsion angle space; DAMMIX, which reconstructs the shape of an unknown intermediate in an evolving system; and LIPMIX and BILMIX, for modelling multilamellar and asymmetric lipid vesicles, respectively. In addition, technical updates were deployed to facilitate maintainability of the package, which include porting the PRIMUS graphical interface to Qt5, updating SASpy – a PyMOL plugin to run a subset of ATSAS tools – to be both Python 2 and 3 compatible, and adding utilities to facilitate mmCIF compatibility in future ATSAS releases. All these features are implemented in ATSAS 3.0, freely available for academic users at https://www.embl‐hamburg.de/biosaxs/software.html.
    Description: ATSAS is a comprehensive software suite for the processing, visualization, analysis and modelling of small‐angle scattering data. This article describes developments in the ATSAS 3.0 release, including new programs for data simulation and for the structural modelling of lipids, nucleic acids and polydisperse systems. image
    Keywords: 548 ; small‐angle scattering ; data analysis ; biological macromolecules ; structural modelling ; ATSAS
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    XGANDALF – extended gradient descent algorithm for lattice finding (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-27
    Description: Serial crystallography records still diffraction patterns from single, randomly oriented crystals, then merges data from hundreds or thousands of them to form a complete data set. To process the data, the diffraction patterns must first be indexed, equivalent to determining the orientation of each crystal. A novel automatic indexing algorithm is presented, which in tests usually gives significantly higher indexing rates than alternative programs currently available for this task. The algorithm does not require prior knowledge of the lattice parameters but can make use of that information if provided, and also allows indexing of diffraction patterns generated by several crystals in the beam. Cases with a small number of Bragg spots per pattern appear to particularly benefit from the new approach. The algorithm has been implemented and optimized for fast execution, making it suitable for real‐time feedback during serial crystallography experiments. It is implemented in an open‐source C++ library and distributed under the LGPLv3 licence. An interface to it has been added to the CrystFEL software suite.
    Description: A description and evaluation are given of XGANDALF, extended gradient descent algorithm for lattice finding, an algorithm developed for fast and accurate indexing of snapshot diffraction patterns. image
    Keywords: 548 ; indexing ; XGANDALF ; CrystFEL ; multiple lattices ; serial crystallography
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    pinkIndexer – a universal indexer for pink‐beam X‐ray and electron diffraction snapshots (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-27
    Description: A crystallographic indexing algorithm, pinkIndexer, is presented for the analysis of snapshot diffraction patterns. It can be used in a variety of contexts including measurements made with a monochromatic radiation source, a polychromatic source or with radiation of very short wavelength. As such, the algorithm is particularly suited to automated data processing for two emerging measurement techniques for macromolecular structure determination: serial pink‐beam X‐ray crystallography and serial electron crystallography, which until now lacked reliable programs for analyzing many individual diffraction patterns from crystals of uncorrelated orientation. The algorithm requires approximate knowledge of the unit‐cell parameters of the crystal, but not the wavelengths associated with each Bragg spot. The use of pinkIndexer is demonstrated by obtaining 1005 lattices from a published pink‐beam serial crystallography data set that had previously yielded 140 indexed lattices. Additionally, in tests on experimental serial crystallography diffraction data recorded with quasi‐monochromatic X‐rays and with electrons the algorithm indexed more patterns than other programs tested.
    Description: pinkIndexer, an algorithm developed for indexing of snapshot diffraction patterns recorded with pink‐beam X‐rays, monochromatic X‐rays and electrons, is described and its use evaluated. image
    Keywords: 548 ; indexing ; pinkIndexer ; CrystFEL ; pink X‐ray beam ; serial electron diffraction
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    Crystal structure of human CRM1, covalently modified by 2‐mercaptoethanol on Cys528, in complex with RanGTP (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-17
    Description: CRM1 is a nuclear export receptor that has been intensively targeted over the last decade for the development of antitumor and antiviral drugs. Structural analysis of several inhibitor compounds bound to CRM1 revealed that their mechanism of action relies on the covalent modification of a critical cysteine residue (Cys528 in the human receptor) located in the nuclear export signal‐binding cleft. This study presents the crystal structure of human CRM1, covalently modified by 2‐mercaptoethanol on Cys528, in complex with RanGTP at 2.58 Å resolution. The results demonstrate that buffer components can interfere with the characterization of cysteine‐dependent inhibitor compounds.
    Description: The covalent modification of human CRM1 by 2‐mercaptoethanol interferes with the characterization of cysteine‐dependent inhibitor compounds. image
    Keywords: 548 ; nuclear export ; cancer ; exportin 1 ; cysteine modification
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  • 39
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    Staircase array of inclined refractive multi‐lenses for large field of view pixel super‐resolution scanning transmission hard X‐ray microscopy (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-26
    Description: Owing to the development of X‐ray focusing optics during the past decades, synchrotron‐based X‐ray microscopy techniques allow the study of specimens with unprecedented spatial resolution, down to 10 nm, using soft and medium X‐ray photon energies, though at the expense of the field of view (FOV). One of the approaches to increase the FOV to square millimetres is raster‐scanning of the specimen using a single nanoprobe; however, this results in a long data acquisition time. This work employs an array of inclined biconcave parabolic refractive multi‐lenses (RMLs), fabricated by deep X‐ray lithography and electroplating to generate a large number of long X‐ray foci. Since the FOV is limited by the pattern height if a single RML is used by impinging X‐rays parallel to the substrate, many RMLs at regular intervals in the orthogonal direction were fabricated by tilted exposure. By inclining the substrate correspondingly to the tilted exposure, 378000 X‐ray line foci were generated with a length in the centimetre range and constant intervals in the sub‐micrometre range. The capability of this new X‐ray focusing device was first confirmed using ray‐tracing simulations and then using synchrotron radiation at BL20B2 of SPring‐8, Japan. Taking account of the fact that the refractive lens is effective for focusing high‐energy X‐rays, the experiment was performed with 35 keV X‐rays. Next, by scanning a specimen through the line foci, this device was used to perform large FOV pixel super‐resolution scanning transmission hard X‐ray microscopy (PSR‐STHXM) with a 780 ± 40 nm spatial resolution within an FOV of 1.64 cm × 1.64 cm (limited by the detector area) and a total scanning time of 4 min. Biomedical implant abutments fabricated via selective laser melting using Ti–6Al–4V medical alloy were measured by PSR‐STHXM, suggesting its unique potential for studying extended and thick specimens. Although the super‐resolution function was realized in one dimension in this study, it can be expanded to two dimensions by aligning a pair of presented devices orthogonally.
    Description: A new X‐ray focusing device generates hundreds of thousands of line foci, periodically spaced in the sub‐micrometre range, with centimetre length. It enables to achieve large FOV pixel super‐resolution scanning transmission hard X‐ray microscopy. image
    Keywords: 502.82 ; inclined refractive X‐ray multi‐lens array ; pixel super‐resolution ; scanning transmission hard X‐ray microscopy ; deep X‐ray lithography and electroplating
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  • 40
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    A new concept for temporal gating of synchrotron X‐ray pulses (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-07-02
    Description: A new concept for temporal gating of synchrotron X‐ray pulses based on laser‐induced thermal transient gratings is presented. First experimental tests of the concept yield a diffraction efficiency of 0.18%; however, the calculations indicate a theoretical efficiency and contrast of 〉30% and 10−5, respectively. The full efficiency of the pulse picker has not been reached yet due to a long‐range thermal deformation of the sample after absorption of the excitation laser. This method can be implemented in a broad spectral range (100 eV to 20 keV) and is only minimally invasive to an existing setup.
    Description: A new concept for temporal gating of synchrotron X‐ray pulses based on laser‐induced thermal transient gratings is presented.
    Keywords: 548 ; synchrotron ; time‐resolved ; thermal deformation ; transient grating ; pulse picking
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  • 41
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    The time‐resolved hard X‐ray diffraction endstation KMC‐3 XPP at BESSY II (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-06
    Description: The time‐resolved hard X‐ray diffraction endstation KMC‐3 XPP for optical pump/X‐ray probe experiments at the electron storage ring BESSY II is dedicated to investigating the structural response of thin film samples and heterostructures after their excitation with ultrashort laser pulses and/or electric field pulses. It enables experiments with access to symmetric and asymmetric Bragg reflections via a four‐circle diffractometer and it is possible to keep the sample in high vacuum and vary the sample temperature between ∼15 K and 350 K. The femtosecond laser system permanently installed at the beamline allows for optical excitation of the sample at 1028 nm. A non‐linear optical setup enables the sample excitation also at 514 nm and 343 nm. A time‐resolution of 17 ps is achieved with the `low‐α' operation mode of the storage ring and an electronic variation of the delay between optical pump and hard X‐ray probe pulse conveniently accesses picosecond to microsecond timescales. Direct time‐resolved detection of the diffracted hard X‐ray synchrotron pulses use a gated area pixel detector or a fast point detector in single photon counting mode. The range of experiments that are reliably conducted at the endstation and that detect structural dynamics of samples excited by laser pulses or electric fields are presented.
    Description: The KMC‐3 XPP endstation of the synchrotron BESSY II is dedicated to time‐resolved studies of structural dynamics of matter upon optical and/or electrical excitation using hard X‐ray diffraction with an accessible time range from 17 ps to several microseconds. image
    Keywords: 548 ; beamline instrumentation ; time‐resolved X‐ray diffraction ; optical excitation ; thermal transport ; ferroelectric switching
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  • 42
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    Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-27
    Description: The crystal structures of sodium ethoxide (sodium ethanolate, NaOEt), sodium n‐propoxide (sodium n‐propanolate, NaOnPr), sodium n‐butoxide (sodium n‐butanolate, NaOnBu) and sodium n‐pentoxide (sodium n‐amylate, NaOnAm) were determined from powder X‐ray diffraction data. NaOEt crystallizes in space group P421m, with Z = 2, and the other alkoxides crystallize in P4/nmm, with Z = 2. To resolve space‐group ambiguities, a Bärnighausen tree was set up, and Rietveld refinements were performed with different models. In all structures, the Na and O atoms form a quadratic net, with the alkyl groups pointing outwards on both sides (anti‐PbO type). The alkyl groups are disordered. The disorder becomes even more pronounced with increasing chain length. Recrystallization from the corresponding alcohols yielded four sodium alkoxide solvates: sodium ethoxide ethanol disolvate (NaOEt·2EtOH), sodium n‐propoxide n‐propanol disolvate (NaOnPr·2nPrOH), sodium isopropoxide isopropanol pentasolvate (NaOiPr·5iPrOH) and sodium tert‐amylate tert‐amyl alcohol monosolvate (NaOtAm·tAmOH, tAm = 2‐methyl‐2‐butyl). Their crystal structures were determined by single‐crystal X‐ray diffraction. All these solvates form chain structures consisting of Na+, –O− and –OH groups, encased by alkyl groups. The hydrogen‐bond networks diverge widely among the solvate structures. The hydrogen‐bond topology of the iPrOH network in NaOiPr·5iPrOH shows branched hydrogen bonds and differs considerably from the networks in pure crystalline iPrOH.
    Description: The crystal structures of NaOEt, NaOPr, NaOBu and NaOAm (Am = amyl = pentyl) were determined from powder data. These compounds crystallize in an anti‐PbO structure in the space groups P21m and P4/nmm. Additionally, solvates with the composition NaOEt·2EtOH, NaOPr·2PrOH, NaOiPr·5iPrOH and NaOtAm·tAmOH were synthesized, and their structures were determined from single crystals. They form interesting chain structures of different compositions and topologies. image
    Keywords: 548 ; sodium alkoxide ; powder data ; solvate ; isopropanol ; Bärnighausen tree ; PXRD
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  • 43
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    Small‐angle X‐ray scattering from GaN nanowires on Si(111): facet truncation rods, facet roughness and Porod's law (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-27
    Description: Small‐angle X‐ray scattering from GaN nanowires grown on Si(111) is measured in the grazing‐incidence geometry and modelled by means of a Monte Carlo simulation that takes into account the orientational distribution of the faceted nanowires and the roughness of their side facets. It is found that the scattering intensity at large wavevectors does not follow Porod's law I(q) ∝ q−4. The intensity depends on the orientation of the side facets with respect to the incident X‐ray beam. It is maximum when the scattering vector is directed along a facet normal, reminiscent of surface truncation rod scattering. At large wavevectors q, the scattering intensity is reduced by surface roughness. A root‐mean‐square roughness of 0.9 nm, which is the height of just 3–4 atomic steps per micrometre‐long facet, already gives rise to a strong intensity reduction.
    Description: The intensity of small‐angle X‐ray scattering from GaN nanowires on Si(111) depends on the orientation of the side facets with respect to the incident beam. This reminiscence of truncation rod scattering gives rise to a deviation from Porod's law. A roughness of just 3–4 atomic steps per micrometre‐long side facet notably changes the intensity curves. image
    Keywords: 548 ; nanowires ; Porod's law ; facet truncation rods ; small‐angle X‐ray scattering ; SAXS ; grazing‐incidence small‐angle X‐ray scattering ; GISAXS
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  • 44
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    The accuracy of protein models automatically built into cryo‐EM maps with ARP/wARP (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-28
    Description: Recent developments in cryogenic electron microscopy (cryo‐EM) have enabled structural studies of large macromolecular complexes at resolutions previously only attainable using macromolecular crystallography. Although a number of methods can already assist in de novo building of models into high‐resolution cryo‐EM maps, automated and reliable map interpretation remains a challenge. Presented here is a systematic study of the accuracy of models built into cryo‐EM maps using ARP/wARP. It is demonstrated that the local resolution is a good indicator of map interpretability, and for the majority of the test cases ARP/wARP correctly builds 90% of main‐chain fragments in regions where the local resolution is 4.0 Å or better. It is also demonstrated that the coordinate accuracy for models built into cryo‐EM maps is comparable to that of X‐ray crystallographic models at similar local cryo‐EM and crystallographic resolutions. The model accuracy also correlates with the refined atomic displacement parameters.
    Keywords: 548 ; ARP/wARP ; model building ; cryo‐EM ; model accuracy ; sequence assignment
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  • 45
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    Synthesis, crystal structure and structure–property relations of strontium orthocarbonate, Sr2CO4 (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    Publication Date: 2021-06-05
    Description: Carbonates containing CO4 groups as building blocks have recently been discovered. A new orthocarbonate, Sr2CO4 is synthesized at 92 GPa and at a temperature of 2500 K. Its crystal structure was determined by in situ synchrotron single‐crystal X‐ray diffraction, selecting a grain from a polycrystalline sample. Strontium orthocarbonate crystallizes in the orthorhombic crystal system (space group Pnma) with CO4, SrO9 and SrO11 polyhedra as the main building blocks. It is isostructural to Ca2CO4. DFT calculations reproduce the experimental findings very well and have, therefore, been used to predict the equation of state, Raman and IR spectra, and to assist in the discussion of bonding in this compound.
    Description: A new orthocarbonate, Sr2CO4, was synthesized under extreme pressure and temperature conditions of 92 GPa and 2500 K, respectively. The crystal structure of the compound s fully characterized in situ by synchrotron single‐crystal X‐ray diffraction and DFT calculations were employed to provide insight into its equation of state, Raman and IR spectra, and bonding. image
    Keywords: 548 ; orthocarbonates ; crystal structure ; single‐crystal X‐ray diffraction ; high pressure ; Sr2CO4
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  • 46
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    Anomalous SAXS at P12 beamline EMBL Hamburg: instrumentation and applications (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    Publication Date: 2021-06-28
    Description: Small‐angle X‐ray scattering (SAXS) is an established method for studying nanostructured systems and in particular biological macromolecules in solution. To obtain element‐specific information about the sample, anomalous SAXS (ASAXS) exploits changes of the scattering properties of selected atoms when the energy of the incident X‐rays is close to the binding energy of their electrons. While ASAXS is widely applied to condensed matter and inorganic systems, its use for biological macromolecules is challenging because of the weak anomalous effect. Biological objects are often only available in small quantities and are prone to radiation damage, which makes biological ASAXS measurements very challenging. The BioSAXS beamline P12 operated by the European Molecular Biology Laboratory (EMBL) at the PETRA III storage ring (DESY, Hamburg) is dedicated to studies of weakly scattering objects. Here, recent developments at P12 allowing for ASAXS measurements are presented. The beamline control, data acquisition and data reduction pipeline of the beamline were adapted to conduct ASAXS experiments. Modelling tools were developed to compute ASAXS patterns from atomic models, which can be used to analyze the data and to help designing appropriate data collection strategies. These developments are illustrated with ASAXS experiments on different model systems performed at the P12 beamline.
    Keywords: 548 ; ASAXS ; biological SAXS ; metalloproteins ; gold nanoparticles ; anomalous scattering ; beamline development
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    Symmetry relations in wurtzite nitrides and oxide nitrides and the curious case of Pmc21 (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-27
    Description: Binary III–V nitrides such as AlN, GaN and InN in the wurtzite‐type structure have long been considered as potent semiconducting materials because of their optoelectronic properties, amongst others. With rising concerns over the utilization of scarce elements, a replacement of the trivalent cations by others in ternary and multinary nitrides has led to the development of different variants of nitrides and oxide nitrides crystallizing in lower‐symmetry variants of wurtzite. This work presents the symmetry relationships between these structural types specific to nitrides and oxide nitrides and updates some prior work on this matter. The non‐existence of compounds crystallizing in Pmc21, formally the highest subgroup of the wurtzite type fulfilling Pauling's rules for 1:1:2 stoichiometries, has been puzzling scientists for a while; a rationalization is given, from a crystallographic basis, of why this space group is unlikely to be adopted.
    Keywords: 548 ; group–subgroup relationships ; nitride materials ; wurtzite type
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    Comparison and evaluation of pair distribution functions, using a similarity measure based on cross‐correlation functions (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-20
    Description: An approach for the comparison of pair distribution functions (PDFs) has been developed using a similarity measure based on cross‐correlation functions. The PDF is very sensitive to changes in the local structure, i.e. small deviations in the structure can cause large signal shifts and significant discrepancies between the PDFs. Therefore, a comparison based on pointwise differences (e.g. R values and difference curves) may lead to the assumption that the investigated PDFs as well as the corresponding structural models are not in agreement at all, whereas a careful visual inspection of the investigated structural models and corresponding PDFs may reveal a relatively good match. To quantify the agreement of different PDFs for those cases an alternative approach is introduced: the similarity measure based on cross‐correlation functions. In this paper, the power of this application of the similarity measure to the analysis of PDFs is highlighted. The similarity measure is compared with the classical Rwp values as representative of the comparison based on pointwise differences as well as with the Pearson product‐moment correlation coefficient, using polymorph IV of barbituric acid as an example.
    Description: A novel approach to the quantification of the agreement between pair distribution functions by a similarity measure based on cross‐correlation functions is introduced and evaluated. image
    Keywords: 548 ; pair distribution functions ; similarity measures ; total scattering techniques ; cross‐correlation functions ; R values
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  • 49
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    Novel experimental setup for megahertz X‐ray diffraction in a diamond anvil cell at the High Energy Density (HED) instrument of the European X‐ray Free‐Electron Laser (EuXFEL) (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-26
    Description: The high‐precision X‐ray diffraction setup for work with diamond anvil cells (DACs) in interaction chamber 2 (IC2) of the High Energy Density instrument of the European X‐ray Free‐Electron Laser is described. This includes beamline optics, sample positioning and detector systems located in the multipurpose vacuum chamber. Concepts for pump–probe X‐ray diffraction experiments in the DAC are described and their implementation demonstrated during the First User Community Assisted Commissioning experiment. X‐ray heating and diffraction of Bi under pressure, obtained using 20 fs X‐ray pulses at 17.8 keV and 2.2 MHz repetition, is illustrated through splitting of diffraction peaks, and interpreted employing finite element modeling of the sample chamber in the DAC.
    Description: The high‐precision X‐ray diffraction (XRD) setup for work with diamond anvil cells (DACs) in Interaction Chamber 2 of the High Energy Density (HED) instrument of the European X‐ray Free‐Electron Laser is described. image
    Keywords: 548 ; diamond anvil cells ; X‐ray free‐electron lasers ; high‐precision X‐ray diffraction ; finite element modeling
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  • 50
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    The anisotropy in the optical constants of quartz crystals for soft X‐rays (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-26
    Description: The refractive index of a y‐cut SiO2 crystal surface is reconstructed from orientation‐dependent soft X‐ray reflectometry measurements in the energy range from 45 to 620 eV. Owing to the anisotropy of the crystal structure in the (100) and (001) directions, a significant deviation of the measured reflectance at the Si L2,3 and O K absorption edges is observed. The anisotropy in the optical constants reconstructed from these data is also confirmed by ab initio Bethe–Salpeter equation calculations for the O K edge. This new experimental data set expands the existing literature data for quartz crystal optical constants significantly, particularly in the near‐edge regions.
    Description: The refractive index of a y‐cut SiO2 crystal surface is reconstructed from polarization‐dependent soft X‐ray reflectometry measurements in the energy range from 45 to 620 eV. The reconstructed anisotropy in the optical constants is also confirmed by ab initio Bethe–Salpeter equation calculations of the O K edge. image
    Keywords: 548 ; optical constants ; quartz ; anisotropy ; soft X‐ray reflectometry
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    Unravelling the crystal structure of Nd5.8WO12−δ and Nd5.7W0.75Mo0.25O12−δ mixed ionic electronic conductors (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-07-05
    Description: Mixed ionic electronic conducting ceramics Nd6−yWO12−δ (δ is the oxygen deficiency) provide excellent stability in harsh environments containing strongly reactive gases such as CO2, CO, H2, H2O or H2S. Due to this chemical stability, they are promising and cost‐efficient candidate materials for gas separation, catalytic membrane reactors and protonic ceramic fuel cell technologies. As in La6−yWO12−δ, the ionic/electronic transport mechanism in Nd6−yWO12−δ is expected to be largely controlled by the crystal structure, the conclusive determination of which is still lacking. This work presents a crystallographic study of Nd5.8WO12−δ and molybdenum‐substituted Nd5.7W0.75Mo0.25O12−δ prepared by the citrate complexation route. High‐resolution synchrotron and neutron powder diffraction data were used in combined Rietveld refinements to unravel the crystal structure of Nd5.8WO12−δ and Nd5.7W0.75Mo0.25O12−δ. Both investigated samples crystallize in a defect fluorite crystal structure with space group Fm3m and doubled unit‐cell parameter due to cation ordering. Mo replaces W at both Wyckoff sites 4a and 48h and is evenly distributed, in contrast with La6−yWO12−δ. X‐ray absorption spectroscopy as a function of partial pressure pO2 in the near‐edge regions excludes oxidation state changes of Nd (Nd3+) and W (W6+) in reducing conditions: the enhanced hydrogen permeation, i.e. ambipolar conduction, observed in Mo‐substituted Nd6−yWO12−δ is therefore explained by the higher Mo reducibility and the creation of additional – disordered – oxygen vacancies.
    Description: The crystal structures of non‐substituted and Mo‐substituted neodymium tungstates are described in detail through neutron diffraction and high‐resolution X‐ray diffraction. Combined X‐ray and neutron diffraction refinements and electron probe micro‐analysis were employed to locate Mo atoms in the crystal structure of Nd6−yW1−zMozO12−δ (z = 0, 0.25), while X‐ray absorption spectroscopy in the near‐edge regions confirmed no changes in the oxidation states of Nd and W.
    Keywords: 548 ; powder diffraction ; mixed conductors ; X‐ray absorption spectroscopy (XAS) ; Nd6−yWO12−δ
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    High‐temperature treatments of niobium under high vacuum, dilute air‐ and nitrogen‐atmospheres as investigated by in situ X‐ray absorption spectroscopy (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    Publication Date: 2021-06-30
    Description: Niobium metal foils were heat‐treated at 900°C under different conditions and in situ investigated with time‐resolved X‐ray absorption fine‐structure (EXAFS and XANES) measurements. The present study aims to mimic the conditions usually applied for heat treatments of Nb materials used for superconducting radiofrequency cavities, in order to better understand the evolving processes during vacuum annealing as well as for heat treatments in controlled dilute gases. Annealing in vacuum in a commercially available cell showed a substantial amount of oxidation, so that a designated new cell was designed and realized, allowing treatments under clean high‐vacuum conditions as well as under well controllable gas atmospheres. The experiments performed under vacuum demonstrated that the original structure of the Nb foils is preserved, while a detailed evaluation of the X‐ray absorption fine‐structure data acquired during treatments in dilute air atmospheres (10−5 mbar to 10−3 mbar) revealed a linear oxidation with the time of the treatment, and an oxidation rate proportional to the oxygen (air) pressure. The structure of the oxide appears to be very similar to that of polycrystalline NbO. The cell also permits controlled exposures to other reactive gases at elevated temperatures; here the Nb foils were exposed to dilute nitrogen atmospheres after a pre‐conditioning of the studied Nb material for one hour under high‐vacuum conditions, in order to imitate typical conditions used for nitrogen doping of cavity materials. Clear structural changes induced by the N2 exposure were found; however, no evidence for the formation of niobium nitride could be derived from the EXAFS and XANES experiments. The presented results establish the feasibility to study the structural changes of the Nb materials in situ during heat treatments in reactive gases with temporal resolution, which are important to better understand the underlaying mechanisms and the dynamics of phase formation during those heat treatments in more detail.
    Keywords: 548 ; in situ EXAFS ; high temperature ; time‐resolved EXAFS ; niobium
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    Pressure‐induced Pb–Pb bonding and phase transition in Pb2SnO4 (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-03-27
    Description: High‐pressure single‐crystal to 20 GPa and powder diffraction measurements to 50 GPa, show that the structure of Pb2SnO4 strongly distorts on compression with an elongation of one axis. A structural phase transition occurs between 10 GPa and 12 GPa, with a change of space group from Pbam to Pnam. The resistivity decreases by more than six orders of magnitude when pressure is increased from ambient conditions to 50 GPa. This insulator‐to‐semiconductor transition is accompanied by a reversible appearance change from transparent to opaque. Density functional theory‐based calculations show that at ambient conditions the channels in the structure host the stereochemically‐active Pb 6s2 lone electron pairs. On compression the lone electron pairs form bonds between Pb2+ ions. Also provided is an assignment of irreducible representations to the experimentally observed Raman bands.
    Description: The structure of Pb2SnO4 is found to strongly distort on compression and a structural phase transition with a change of space group from Pbam to Pnam occurs at ∼11 GPa. Our complementary DFT‐based calculations show that at ambient conditions, the channels in the structure host the stereochemically active Pb 6s2 lone electron pairs which form bonds between the Pb2+ ions with increasing pressure. image
    Keywords: 548 ; lead stannate (Pb2SnO4) ; density functional theory ; high‐pressure X‐ray diffraction ; pressure‐induced phase transition ; insulator–semiconductor transition
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  • 54
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    A discussion on `Domain formation and phase transitions in the wurtzite‐based heterovalent ternaries: a Landau theory analysis' (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    Publication Date: 2021-06-05
    Description: Heterovalent ternary nitrides are considered one of the promising classes of materials for photovoltaics, combining attractive physical properties with low toxicity and element abundance. One of the front‐runner systems under consideration is ZnSnN2. Although it is nominally a ternary compound, no clear crystallographic evidence for cation ordering has been observed so far. An attempt to elucidate this discrepancy [Quayle (2020). Acta Cryst. A76, 410–420] was the trigger for an intensive discussion between the authors, and an agreement was reached to elaborate on some points in order to set things in perspective. Rather than using a conventional comment–answer scheme, this is published in the form of a joint discussion to celebrate constructive criticism and collegiality.
    Description: A scientific exchange on an earlier paper [Quayle (2020). Acta Cryst. A76, 410–420] has led to the clarification of some of the points. image
    Keywords: 548 ; group–subgroup relationships ; nitride materials ; wurtzite type
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    X‐SPEC: a 70 eV to 15 keV undulator beamline for X‐ray and electron spectroscopies (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    Publication Date: 2021-06-26
    Description: X‐SPEC is a high‐flux spectroscopy beamline at the KIT (Karlsruhe Institute of Technology) Synchrotron for electron and X‐ray spectroscopy featuring a wide photon energy range. The beamline is equipped with a permanent magnet undulator with two magnetic structures of different period lengths, a focusing variable‐line‐space plane‐grating monochromator, a double‐crystal monochromator and three Kirkpatrick–Baez mirror pairs. By selectively moving these elements in or out of the beam, X‐SPEC is capable of covering an energy range from 70 eV up to 15 keV. The flux of the beamline is maximized by optimizing the magnetic design of the undulator, minimizing the number of optical elements and optimizing their parameters. The beam can be focused into two experimental stations while maintaining the same spot position throughout the entire energy range. The first experimental station is optimized for measuring solid samples under ultra‐high‐vacuum conditions, while the second experimental station allows in situ and operando studies under ambient conditions. Measurement techniques include X‐ray absorption spectroscopy (XAS), extended X‐ray absorption fine structure (EXAFS), photoelectron spectroscopy (PES) and hard X‐ray PES (HAXPES), as well as X‐ray emission spectroscopy (XES) and resonant inelastic X‐ray scattering (RIXS).
    Description: X‐SPEC is a high‐flux undulator beamline for electron and X‐ray spectroscopy with an energy range from 70 eV to 15 keV. It offers X‐ray absorption spectroscopy (XAS), extended X‐ray absorption fine structure (EXAFS), photoelectron spectroscopy (PES) and hard X‐ray PES (HAXPES), as well as X‐ray emission spectroscopy (XES) and resonant inelastic X‐ray scattering (RIXS) for in vacuo, in situ and operando sample environments. image
    Keywords: 548 ; undulator beamline ; soft X‐ray ; tender X‐ray ; hard X‐ray ; in situ ; operando ; HAXPES ; RIXS ; XAS ; XES
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    Energetic, antioxidant, inflammatory and cell death responses in the red muscle of thermally stressed Sparus aurata (2020)
    Springer Nature
    In:  EPIC3Journal of Comparative Physiology B, Springer Nature, ISSN: 0174-1578
    Details
    Publication Date: 2020-06-21
    Description: For a comprehensive understanding of fish responses to increasing thermal stress in marine environments, we investigated tissue energetics, antioxidant levels, inflammatory and cell death responses in Sparus aurata (gilthead seabream) red muscle during exposure to elevated temperatures (24 °C, 26 °C, 30 °C) compared to the control temperature of 18 °C. Energetic aspects were assessed by determining lactate, glucose and lipids levels in blood plasma, ATP, ADP and AMP levels, and AMPK phosphorylation as an indicator of regulatory changes in energy metabolism, in tissue extracts. Oxidative defence was assessed by determining superoxide dismutase, catalase and glutathione reductase maximum activities. Moreover, xanthine levels were determined as an indicator of purine conversion to xanthine and associated ROS production. In the context of inflammatory response and cell death due to oxidative stress, pro-inflammatory cytokines (IkBα phosphorylation, IL-6 and TNFα) levels, and LC3 II/I ratio and SQSTM1/p62 as indicators of autophagic-lysosomal pathway were also determined. A recovery in the efficacy of ATP production after a marked decrease during the 1st day of exposure to 24 °C is observed. This biphasic pattern is paralleled by antioxidant enzymes’ activities and inflammatory and autophagy responses, indicating a close correlation between ATP turnover and stress responses, which may benefit tissue function and survival. However, exposure beyond 24 °C caused tissue’s antioxidant capacity loss, triggering the inflammatory and cell death response, lead-ing to increased fish mortality. The results of the present study set the thermal limits of the gilthead seabream at 22–24 °C and establish the used cellular and metabolic indicators as tools for the definition of the extreme thermal limits in marine organisms.
    Repository Name: EPIC Alfred Wegener Institut
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    Rebuilding marine life (2020)
    Springer Nature
    In:  EPIC3Nature, Springer Nature, 580(7801), pp. 39-51, ISSN: 0028-0836
    Details
    Publication Date: 2020-06-25
    Description: Sustainable Development Goal 14 of the United Nations aims to “conserve and sustainably use the oceans, seas and marine resources for sustainable development”. Achieving this goal will require rebuilding the marine life-support systems that deliver the many benefits that society receives from a healthy ocean. Here we document the recovery of marine populations, habitats and ecosystems following past conservation interventions. Recovery rates across studies suggest that substantial recovery of the abundance, structure and function of marine life could be achieved by 2050, if major pressures—including climate change—are mitigated. Rebuilding marine life represents a doable Grand Challenge for humanity, an ethical obligation and a smart economic objective to achieve a sustainable future.
    Repository Name: EPIC Alfred Wegener Institut
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    Mediterranean heat injection to the North Atlantic delayed the intensification of Northern Hemisphere glaciations (2021)
    Springer Nature
    In:  EPIC3Communications Earth & Environment, Springer Nature, 2(1), ISSN: 2662-4435
    Details
    Publication Date: 2021-08-16
    Description: The intensification of Northern Hemisphere glaciations at the end of the Pliocene epoch marks one of the most substantial climatic shifts of the Cenozoic. Despite global cooling, sea surface temperatures in the high latitude North Atlantic Ocean rose between 2.9–2.7 million years ago. Here we present sedimentary geochemical proxy data from the Gulf of Cadiz to reconstruct the variability of Mediterranean Outflow Water, an important heat source to the North Atlantic. We find evidence for enhanced production of Mediterranean Outflow from the mid-Pliocene to the late Pliocene which we infer could have driven a sub-surface heat channel into the high-latitude North Atlantic. We then use Earth System Models to constrain the impact of enhanced Mediterranean Outflow production on the northward heat transport in the North Atlantic. In accord with the proxy data, the numerical model results support the formation of a sub-surface channel that pumped heat from the subtropics into the high latitude North Atlantic. We further suggest that this mechanism could have delayed ice sheet growth at the end of the Pliocene.
    Repository Name: EPIC Alfred Wegener Institut
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    On incoherent diffractive imaging (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-04-07
    Description: Incoherent diffractive imaging (IDI) promises structural analysis with atomic resolution based on intensity interferometry of pulsed X‐ray fluorescence emission. However, its experimental realization is still pending and a comprehensive theory of contrast formation has not been established to date. Explicit expressions are derived for the equal‐pulse two‐point intensity correlations, as the principal measured quantity of IDI, with full control of the prefactors, based on a simple model of stochastic fluorescence emission. The model considers the photon detection statistics, the finite temporal coherence of the individual emissions, as well as the geometry of the scattering volume. The implications are interpreted in view of the most relevant quantities, including the fluorescence lifetime, the excitation pulse, as well as the extent of the scattering volume and pixel size. Importantly, the spatiotemporal overlap between any two emissions in the sample can be identified as a crucial factor limiting the contrast and its dependency on the sample size can be derived. The paper gives rigorous estimates for the optimum sample size, the maximum photon yield and the expected signal‐to‐noise ratio under optimal conditions. Based on these estimates, the feasibility of IDI experiments for plausible experimental parameters is discussed. It is shown in particular that the mean number of photons per detector pixel which can be achieved with X‐ray fluorescence is severely limited and as a consequence imposes restrictive constraints on possible applications.
    Description: Starting from a simple model of stochastic fluorescence emission, a theory is derived of contrast formation and signal‐to‐noise ratio for incoherent diffractive imaging; its feasibility for plausible experimental parameters is discussed. image
    Keywords: ddc:548
    Language: English
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    Vp/Vs ratio of incoming sediments off Cascadia subduction zone from analysis of controlled-source multicomponent OBS records (2020)
    American Geophysical Union
    Details
    Publication Date: 2022-05-25
    Description: Author Posting. © American Geophysical Union, 2020. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Solid Earth 125(6), (2020): e2019JB019239, doi:10.1029/2019JB019239.
    Description: P‐to‐S‐converted waves observed in controlled‐source multicomponent ocean bottom seismometer (OBS) records were used to derive the Vp/Vs structure of Cascadia Basin sediments. We used P‐to‐S waves converted at the basement to derive an empirical function describing the average Vp/Vs of Cascadia sediments as a function of sediment thickness. We derived one‐dimensional interval Vp/Vs functions from semblance velocity analysis of S‐converted intrasediment and basement reflections, which we used to define an empirical Vp/Vs versus burial depth compaction trend. We find that seaward from the Cascadia deformation front, Vp/Vs structure offshore northern Oregon and Washington shows little variability along strike, while the structure of incoming sediments offshore central Oregon is more heterogeneous and includes intermediate‐to‐deep sediment layers of anomalously elevated Vp/Vs. These zones with elevated Vp/Vs are likely due to elevated pore fluid pressures, although layers of high sand content intercalated within a more clayey sedimentary sequence, and/or a higher content of coarser‐grained clay minerals relative to finer‐grained smectite could be contributing factors. We find that the proto‐décollement offshore central Oregon develops within the incoming sediments at a low‐permeability boundary that traps fluids in a stratigraphic level where fluid overpressure exceeds 50% of the differential pressure between the hydrostatic pressure and the lithostatic pressure. Incoming sediments with the highest estimated fluid overpressures occur offshore central Oregon where deformation of the accretionary prism is seaward vergent. Conversely, landward vergence offshore northern Oregon and Washington correlates with more moderate pore pressures and laterally homogeneous Vp/Vs functions of Cascadia Basin sediments.
    Description: This research was funded by National Science Foundation (NSF) Grant OCE‐1657237 to J. P. C, OCE‐1657839 to A. F. A. and S. H., and OCE‐1657737 to S. M. C. Data used in this study were acquired with funding from NSF Grants OCE‐1029305 and OCE‐1249353. Data used in this research were provided by instruments from the Ocean Bottom Seismic Instrument Center (http://obsic.whoi.edu, formerly OBSIP), which is funded by the NSF. OBSIC/OBSIP data are archived at the IRIS Data Management Center (http://www.iris.edu) under network code X6 (https://doi.org/10.7914/SN/X6_2012). Data processing was conducted with Emerson‐Paradigm Software package Echos licensed to Woods Hole Oceanographic Institution under Paradigm Academic Software Program and MATLAB package SeismicLab of the University of Alberta, Canada (http://seismic-lab.physics.ualberta.ca), under GNU General Public License (MATLAB® is a registered trademark of MathWorks).
    Description: 2020-11-28
    Keywords: Vp/Vs ; sediments ; ocean bottom seismometer ; Juan de Fuca plate ; Cascadia
    Repository Name: Woods Hole Open Access Server
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    Labrador Sea Water transport across the Charlie-Gibbs Fracture Zone (2020)
    American Geophysical Union
    Details
    Publication Date: 2022-05-25
    Description: Author Posting. © American Geophysical Union, 2020. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Oceans 125(8), (2020): e2020JC016068, doi:10.1029/2020JC016068.
    Description: Labrador Sea Water (LSW) is a major component of the deep limb of the Atlantic Meridional Overturning Circulation, yet LSW transport pathways and their variability lack a complete description. A portion of the LSW exported from the subpolar gyre is advected eastward along the North Atlantic Current and must contend with the Mid‐Atlantic Ridge before reaching the eastern basins of the North Atlantic. Here, we analyze observations from a mooring array and satellite altimetry, together with outputs from a hindcast ocean model simulation, to estimate the mean transport of LSW across the Charlie‐Gibbs Fracture Zone (CGFZ), a primary gateway for the eastward transport of the water mass. The LSW transport estimated from the 25‐year altimetry record is 5.3 ± 2.9 Sv, where the error represents the combination of observational variability and the uncertainty in the projection of the surface velocities to the LSW layer. Current velocities modulate the interannual to higher‐frequency variability of the LSW transport at the CGFZ, while the LSW thickness becomes important on longer time scales. The modeled mean LSW transport for 1993–2012 is higher than the estimate from altimetry, at 8.2 ± 4.1 Sv. The modeled LSW thickness decreases substantially at the CGFZ between 1996 and 2009, consistent with an observed decline in LSW volume in the Labrador Sea after 1994. We suggest that satellite altimetry and continuous hydrographic measurements in the central Labrador Sea, supplemented by profiles from Argo floats, could be sufficient to quantify the LSW transport at the CGFZ.
    Description: A. G. N. appreciates conversations with Kathy Donohue, Tom Rossby and Lisa Beal, which helped to interpret the results. J. B. P. acknowledges support from NSF through Grant OCE‐1947829. The authors thank all colleagues and ship crew involved in the R/V Meteor cruise M‐82/2 and Maria S. Merian cruise MSM‐21/2. The mooring data presented in this paper were funded by NSF through Grant OCE‐0926656.
    Description: 2021-01-03
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    Are elevation and open-water conversion of salt marshes connected? (2020)
    American Geophysical Union
    Details
    Publication Date: 2022-05-25
    Description: Author Posting. © American Geophysical Union, 2020. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Geophysical Research Letters 47(3), (2020): e2019GL086703, doi:10.1029/2019GL086703.
    Description: Salt marsh assessments focus on vertical metrics such as accretion or lateral metrics such as open‐water conversion, without exploration of how the dimensions are related. We exploited a novel geospatial data set to explore how elevation is related to the unvegetated‐vegetated marsh ratio (UVVR), a lateral metric, across individual marsh “units” within four estuarine‐marsh systems. We find that elevation scales consistently with the UVVR across systems, with lower elevation units demonstrating more open‐water conversion and higher UVVRs. A normalized elevation‐UVVR relationship converges across systems near the system‐mean elevation and a UVVR of 0.1, a critical threshold identified by prior studies. This indicates that open‐water conversion becomes a dominant lateral instability process at a relatively conservative elevation threshold. We then integrate the UVVR and elevation to yield lifespan estimates, which demonstrate that higher elevation marshes are more resilient to internal deterioration, with an order‐of‐magnitude longer lifespan than predicted for lower elevation marshes.
    Description: This study was supported by the USGS through the Coastal Marine Hazards/Resources Program, the National Park Service through the Natural Resource Preservation Program, and the U.S. Fish and Wildlife Service through the Science Support Partnership. Erika Lentz, Elizabeth Pendleton, Meagan Gonneea, Joel Carr, and two anonymous reviewers provided constructive advice on the study. S.F. was partly supported by US National Science Foundation award 1637630 (PIE LTER), 1832221 (VCR LTER). The geospatial data used in this study are published in the Coastal Wetlands Synthesis Products catalog on ScienceBase (https://www.sciencebase.gov/catalog/item/5b73325ee4b0f5d5787c5ff3).
    Repository Name: Woods Hole Open Access Server
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    Decreased soil organic matter in a long-term soil warming experiment lowers soil water holding capacity and affects soil thermal and hydrological buffering (2020)
    American Geophysical Union
    Details
    Publication Date: 2022-05-25
    Description: Author Posting. © American Geophysical Union, 2020. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research- Biogeosciences 125(4), (2020): e2019JG005158, doi:10.1029/2019JG005158.
    Description: Long‐term soil warming can decrease soil organic matter (SOM), resulting in self‐reinforcing feedback to the global climate system. We investigated additional consequences of SOM reduction for soil water holding capacity (WHC) and soil thermal and hydrological buffering. At a long‐term soil warming experiment in a temperate forest in the northeastern United States, we suspended the warming treatment for 104 days during the summer of 2017. The formerly heated plot remained warmer (+0.39 °C) and drier (−0.024 cm3 H2O cm−3 soil) than the control plot throughout the suspension. We measured decreased SOM content (−0.184 g SOM g−1 for O horizon soil, −0.010 g SOM g−1 for A horizon soil) and WHC (−0.82 g H2O g−1 for O horizon soil, −0.18 g H2O g−1 for A horizon soil) in the formerly heated plot relative to the control plot. Reduced SOM content accounted for 62% of the WHC reduction in the O horizon and 22% in the A horizon. We investigated differences in SOM composition as a possible explanation for the remaining reductions with Fourier transform infrared (FTIR) spectra. We found FTIR spectra that correlated more strongly with WHC than SOM, but those particular spectra did not differ between the heated and control plots, suggesting that SOM composition affects WHC but does not explain treatment differences in this study. We conclude that SOM reductions due to soil warming can reduce WHC and hydrological and thermal buffering, further warming soil and decreasing SOM. This feedback may operate in parallel, and perhaps synergistically, with carbon cycle feedbacks to climate change.
    Description: We would like to acknowledge Jeffery Blanchard, Priya Chowdhury, Kristen DeAngelis, Luiz Dominguez‐Horta, Kevin Geyer, Rachelle Lacroix, Xaiojun Liu, William Rodriguez, and Alexander Truchonand and for assistance with field sampling. We would like to acknowledge Michael Bernard for assistance with field sampling and lab work. We would like to acknowledge Aaron Ellison for statistical consultation. This research was financially supported by the U.S. National Science Foundation's Long Term Ecological Research Program (NSF‐DEB‐0620443 and NSF‐DEB‐1237491), the Long Term Research in Environmental Biology Program (NSF DEB‐1456528) , and the U.S. Department of Energy (DOE‐DE‐SC0005421 and DOE‐DE‐SC0010740). Data used in this study are available from the Harvard Forest Data Archive (Datasets HF018‐03, HF018‐04, and HF018‐13), accessible at https://harvardforest.fas.harvard.edu/harvard‐forest‐data‐archive.
    Description: 2020-10-04
    Repository Name: Woods Hole Open Access Server
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    Interannual variability of the Mid-Atlantic bight cold pool (2020)
    American Geophysical Union
    Details
    Publication Date: 2022-05-25
    Description: Author Posting. © American Geophysical Union, 2020. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Oceans 125(8), (2020): e2020JC016445, doi:10.1029/2020JC016445.
    Description: The Mid‐Atlantic Bight (MAB) Cold Pool is a bottom‐trapped, cold (temperature below 10°C) and fresh (practical salinity below 34) water mass that is isolated from the surface by the seasonal thermocline and is located over the midshelf and outer shelf of the MAB. The interannual variability of the Cold Pool with regard to its persistence time, volume, temperature, and seasonal along‐shelf propagation is investigated based on a long‐term (1958–2007) high‐resolution regional model of the northwest Atlantic Ocean. A Cold Pool Index is defined and computed in order to quantify the strength of the Cold Pool on the interannual timescale. Anomalous strong, weak, and normal years are categorized and compared based on the Cold Pool Index. A detailed quantitative study of the volume‐averaged heat budget of the Cold Pool region (CPR) has been examined on the interannual timescale. Results suggest that the initial temperature and abnormal warming/cooling due to advection are the primary drivers in the interannual variability of the near‐bottom CPR temperature anomaly during stratified seasons. The long persistence of temperature anomalies from winter to summer in the CPR also suggests a potential for seasonal predictability.
    Description: This work was funded by the National Oceanic and Atmospheric Administration through Awards NOAA‐NA‐15OAR4310133 and NOAA‐NA‐13OAR4830233 and the National Science Foundation Awards OCE‐1049088, OCE‐1419584, and OCE‐0961545.
    Description: 2021-02-03
    Keywords: Mid‐Atlantic Bight ; Cold Pool ; continental shelf ; temperature balance ; interannual variability ; near‐bottom temperature
    Repository Name: Woods Hole Open Access Server
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    Resource partitioning of phytoplankton metabolites that support bacterial heterotrophy (2020)
    Springer Nature
    Details
    Publication Date: 2022-05-25
    Description: © The Author(s), 2020. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Ferrer-González, F. X., Widner, B., Holderman, N. R., Glushka, J., Edison, A. S., Kujawinski, E. B., & Moran, M. A. Resource partitioning of phytoplankton metabolites that support bacterial heterotrophy. ISME Journal, (2020), doi:10.1038/s41396-020-00811-y.
    Description: The communities of bacteria that assemble around marine microphytoplankton are predictably dominated by Rhodobacterales, Flavobacteriales, and families within the Gammaproteobacteria. Yet whether this consistent ecological pattern reflects the result of resource-based niche partitioning or resource competition requires better knowledge of the metabolites linking microbial autotrophs and heterotrophs in the surface ocean. We characterized molecules targeted for uptake by three heterotrophic bacteria individually co-cultured with a marine diatom using two strategies that vetted the exometabolite pool for biological relevance by means of bacterial activity assays: expression of diagnostic genes and net drawdown of exometabolites, the latter detected with mass spectrometry and nuclear magnetic resonance using novel sample preparation approaches. Of the more than 36 organic molecules with evidence of bacterial uptake, 53% contained nitrogen (including nucleosides and amino acids), 11% were organic sulfur compounds (including dihydroxypropanesulfonate and dimethysulfoniopropionate), and 28% were components of polysaccharides (including chrysolaminarin, chitin, and alginate). Overlap in phytoplankton-derived metabolite use by bacteria in the absence of competition was low, and only guanosine, proline, and N-acetyl-d-glucosamine were predicted to be used by all three. Exometabolite uptake pattern points to a key role for ecological resource partitioning in the assembly marine bacterial communities transforming recent photosynthate.
    Description: This work was supported by grants from the Gordon and Betty Moore Foundation (5503) and the National Science Foundation (IOS-1656311) to MAM, ASE, and EBK, and by the Simons Foundation grant 542391 to MAM within the Principles of Microbial Ecosystems (PriME) Collaborative.
    Repository Name: Woods Hole Open Access Server
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    The Atlantic Water boundary current in the Chukchi Borderland and Southern Canada Basin (2020)
    American Geophysical Union
    Details
    Publication Date: 2022-05-25
    Description: Author Posting. © American Geophysical Union, 2020. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Oceans 125(8), (2020): e2020JC016197, doi:10.1029/2020JC016197.
    Description: Synoptic shipboard measurements, together with historical hydrographic data and satellite data, are used to elucidate the detailed structure of the Atlantic Water (AW) boundary current system in the southern Canada Basin and its connection to the upstream source of AW in the Chukchi Borderland. Nine high‐resolution occupations of a transect extending from the Beaufort shelf to the deep basin near 152°W, taken between 2003 and 2018, reveal that there are two branches of the AW boundary current that flow beneath and counter to the Beaufort Gyre. Each branch corresponds to a warm temperature core and transports comparable amounts of Fram Strait Branch Water between roughly 200–700 m depth, although they are characterized by a different temperature/salinity (T/S) structure. The mean volume flux of the combined branches is 0.87 ± 0.13 Sv. Using the historical hydrographic data, the two branches are tracked upstream by their temperature cores and T/S signatures. This sheds new light on how the AW negotiates the Chukchi Borderland and why two branches emerge from this region. Lastly, the propagation of warm temperature anomalies through the region is quantified and shown to be consistent with the deduced circulation scheme.
    Description: This work was funded by the following sources: National Science Foundation Grants PLR‐1504333, OPP‐1733564, and OPP‐1504394; National Oceanic and Atmospheric Administration Grant NA14OAR4320158; and National Aeronautics and Space Administration Grant NNX10AF42G.
    Description: 2021-01-27
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    Structure determination of organic compounds by a fit to the pair distribution function from scratch without prior indexing (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-06-26
    Description: A method for the ab initio crystal structure determination of organic compounds by a fit to the pair distribution function (PDF), without prior knowledge of lattice parameters and space group, has been developed. The method is called `PDF‐Global‐Fit' and is implemented by extension of the program FIDEL (fit with deviating lattice parameters). The structure solution is based on a global optimization approach starting from random structural models in selected space groups. No prior indexing of the powder data is needed. The new method requires only the molecular geometry and a carefully determined PDF. The generated random structures are compared with the experimental PDF and ranked by a similarity measure based on cross‐correlation functions. The most promising structure candidates are fitted to the experimental PDF data using a restricted simulated annealing structure solution approach within the program TOPAS, followed by a structure refinement against the PDF to identify the correct crystal structure. With the PDF‐Global‐Fit it is possible to determine the local structure of crystalline and disordered organic materials, as well as to determine the local structure of unindexable powder patterns, such as nanocrystalline samples, by a fit to the PDF. The success of the method is demonstrated using barbituric acid as an example. The crystal structure of barbituric acid form IV solved and refined by the PDF‐Global‐Fit is in excellent agreement with the published crystal structure data.
    Keywords: 548 ; pair distribution function analysis ; structure determination ; total scattering technique ; similarity measures ; PDF‐Global‐Fit
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    Structural basis of chitin utilization by a GH20 β‐N‐acetylglucosaminidase from Vibrio campbellii strain ATCC BAA‐1116 (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-07-01
    Description: Vibrio species play a crucial role in maintaining the carbon and nitrogen balance between the oceans and the land through their ability to employ chitin as a sole source of energy. This study describes the structural basis for the action of the GH20 β‐N‐acetylglucosaminidase (VhGlcNAcase) in chitin metabolism by Vibrio campbellii (formerly V. harveyi) strain ATCC BAA‐1116. Crystal structures of wild‐type VhGlcNAcase in the absence and presence of the sugar ligand, and of the unliganded D437A mutant, were determined. VhGlcNAcase contains three distinct domains: an N‐terminal carbohydrate‐binding domain linked to a small α+β domain and a C‐terminal (β/α)8 catalytic domain. The active site of VhGlcNAcase has a narrow, shallow pocket that is suitable for accommodating a small chitooligosaccharide. VhGlcNAcase is a monomeric enzyme of 74 kDa, but its crystal structures show two molecules of enzyme per asymmetric unit, in which Gln16 at the dimeric interface of the first molecule partially blocks the entrance to the active site of the neighboring molecule. The GlcNAc unit observed in subsite −1 makes exclusive hydrogen bonds to the conserved residues Arg274, Tyr530, Asp532 and Glu584, while Trp487, Trp546, Trp582 and Trp505 form a hydrophobic wall around the −1 GlcNAc. The catalytic mutants D437A/N and E438A/Q exhibited a drastic loss of GlcNAcase activity, confirming the catalytic role of the acidic pair (Asp437–Glu438).
    Description: Crystal structures of a GH20 β‐N‐acetylglucosaminidase from V. campbellii reveal substrate specificity in chitin utilization.
    Keywords: 577.14 ; GH20 β‐N‐acetylglucosaminidase ; chitin recycling ; Vibrio spp ; marine bacteria
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    Earthquake location in tectonic structures of the Alpine Chain: the case of the Constance Lake (Central Europe) seismic sequence (2021)
    Springer Nature
    Details
    Publication Date: 2021-09-22
    Description: A set of four magnitude Ml≥3.0 earthquakes including the magnitude Ml=3.7 mainshock of the seismic sequence hitting the Lake Constance, Southern Germany, area in July–August 2019 was studied by means of bulletin and waveform data collected from 86 seismic stations of the Central Europe-Alpine region. The frst single-event locations obtained using a uniform 1-D velocity model, and both fxed and free depths, showed residuals of the order of up±2.0 s, systematically afecting stations located in diferent areas of the study region. Namely, German stations to the northeast of the epicenters and French stations to the west exhibit negative residuals, while Italian stations located to the southeast are characterized by similarly large positive residuals. As a consequence, the epicentral coordinates were afected by a signifcant bias of the order of 4–5 km to the NNE. The locations were repeated applying a method that uses diferent velocity models for three groups of stations situated in diferent geological environments, obtaining more accurate locations. Moreover, the application of two methods of relative locations and joint hypocentral determination, without improving the absolute location of the master event, has shown that the sources of the four considered events are separated by distances of the order of one km both in horizontal coordinates and in depths. A particular attention has been paid to the geographical positions of the seismic stations used in the locations and their relationship with the known crustal features, such as the Moho depth and velocity anomalies in the studied region. Signifcant correlations between the observed travel time residuals and the crustal structure were obtained.
    Description: Published
    Description: 1163–1175
    Description: 1T. Struttura della Terra
    Description: 2TR. Ricostruzione e modellazione della struttura crostale
    Description: JCR Journal
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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    Deep carbon degassing in the Matese massif chain (Southern Italy) inferred by geochemical and isotopic data (2021)
    Springer Nature
    Details
    Publication Date: 2021-09-22
    Description: The Italian Apennines are among the most important sources of freshwater for several Italian regions. With evidences of deep CO2-rich fluids intruding into aquifers in the nearby central-southern Apennines, a thorough investigation into the geochemistry of groundwater became critical to ensure the water quality in the area. Here, we show the main hydrogeochemical processes occurring in the Matese Massif (MM) aquifer through the investigation of 98 water samples collected from springs and water wells. All waters were classified as HCO3 type with Ca dominance (from 50% up to 97%) and variable amount of Mg (from 1% up to 49%). A multivariate statistical approach through the application of the factor analysis (FA) highlighted three main hydrogeochemical processes: (i) water-carbonate rock interactions mostly enhanced in peripheral areas of the MM by CO2 deep degassing; (ii) addition of NaCl-rich components linked to recharging process and to water mixing processes of the groundwater with a thermal component relatively rich in Cl, Na, and CO2; (iii) anthropogenic activities influencing groundwater composition at the foothills of MM. Furthermore, the first detailed TDIC, pCO2, and δ13C-TDIC distribution maps of the MM area have been created, which track chemical and isotopic anomalies in several peripheral areas (Pratella, Ailano, and Telese) throughout the region. These maps systematically highlight that the greater the amount of dissolved carbon occurs the heavier the C isotope enrichment, especially in the peripheral areas. Conversely, spring waters emerging at higher altitudes within MM are only slightly mineralized and associated with δ13C-TDIC values mainly characterized by recharging processes with the addition of biogenic carbon during the infiltration process through the soil.
    Description: Published
    Description: 46614–46626
    Description: 6A. Geochimica per l'ambiente e geologia medica
    Description: 2IT. Laboratori analitici e sperimentali
    Description: JCR Journal
    Keywords: CO2 degassing; Factor analysis; Mineral springs; Total dissolved inorganic carbon; δ13C-TDIC ; 03.02. Hydrology ; 04.04. Geology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 71
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    High geothermal heat flow beneath Thwaites Glacier in West Antarctica inferred from aeromagnetic data (2021)
    Springer Nature
    In:  EPIC3Communications Earth & Environment, Springer Nature, 2(162), pp. 1-6
    Details
    Publication Date: 2021-08-31
    Description: Geothermal heat flow in the polar regions plays a crucial role in understanding ice-sheet dynamics and predictions of sea level rise. Continental-scale indirect estimates often have a low spatial resolution and yield largest discrepancies in West Antarctica. Here we analyse geophysical data to estimate geothermal heat flow in the Amundsen Sea Sector of West Antarctica. With Curie depth analysis based on a new magnetic anomaly grid compilation, we reveal variations in lithospheric thermal gradients. We show that the rapidly retreating Thwaites and Pope glaciers in particular are underlain by areas of largely elevated geothermal heat flow, which relates to the tectonic and magmatic history of the West Antarctic Rift System in this region. Our results imply that the behavior of this vulnerable sector of the West Antarctic Ice Sheet is strongly coupled to the dynamics of the underlying lithosphere.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 72
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    Resolution of a bent‐crystal spectrometer for X‐ray free‐electron laser pulses: diamond versus silicon (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-09-29
    Description: The resolution function of a spectrometer based on a strongly bent single crystal (bending radius of 10 cm or less) is evaluated. It is shown that the resolution is controlled by two parameters: (i) the ratio of the lattice spacing of the chosen reflection to the crystal thickness and (ii) a single parameter comprising crystal thickness, its bending radius, distance to a detector, and anisotropic elastic constants of the chosen crystal. The results allow the optimization of the parameters of bent‐crystal spectrometers for the hard X‐ray free‐electron laser sources.
    Description: The resolution function of a bent‐crystal spectrometer for pulses of an X‐ray free‐electron laser is evaluated. Under appropriate conditions, the energy resolution reaches the ratio of the lattice spacing to the crystal thickness. image
    Keywords: 548 ; X‐ray free‐electron lasers ; X‐ray spectroscopy ; bent crystals ; diamond crystal optics ; femtosecond X‐ray diffraction
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  • 73
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    Separation of the inelastic and elastic scattering in time‐of‐flight mode on the pinhole small‐angle neutron scattering diffractometer KWS‐2 (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-09-29
    Description: To study and control the incoherent inelastic background in small‐angle neutron scattering, which makes a significant contribution to the detected scattering from hydrocarbon systems, the KWS‐2 small‐angle neutron scattering diffractometer operated by the Jülich Centre for Neutron Science (JCNS) at Heinz‐Maier Leibnitz Zentrum (MLZ), Garching, Germany, was equipped with a secondary single‐disc chopper that is placed in front of the sample stage. This makes it possible to record in time‐of‐flight mode the scattered neutrons in the high‐Q regime of the instrument (i.e. short incoming wavelengths and detection distances) and to discard the inelastic component from the measured data. Examples of measurements on different materials routinely used as standard samples, sample containers and solvents in the experiments at KWS‐2 are presented. When only the elastic region of the spectrum is used in the data‐reduction procedure, a decrease of up to two times in the incoherent background of the experimentally measured scattering cross section may be obtained. The proof of principle is demonstrated on a solution of bovine serum albumin in D2O.
    Description: A new chopper has been installed at the sample position in front of the sample stage at the KWS‐2 small‐angle neutron‐scattering diffractometer of the Jülich Centre for Neutron Science. The pulsed beam and the time‐of‐flight data acquisition enable the separation of elastic and inelastic scattering from hydrogenous samples.
    Keywords: 548 ; TOF‐SANS ; incoherent neutron scattering ; inelastic neutron scattering ; hydrocarbon systems
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  • 74
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    Czochralski growth of mixed cubic sesquioxide crystals in the ternary system Lu2O3–Sc2O3–Y2O3 (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-09-29
    Description: Cubic rare‐earth sesquioxide crystals are strongly demanded host materials for high power lasers, but due to their high melting points investigations on their thermodynamics and the growth of large‐size crystals of high optical quality remain a challenge. Detailed thermal investigations of the ternary system Lu2O3–Sc2O3–Y2O3 revealing a large range of compositions with melting temperatures below 2200°C and a minimum of 2053°C for the composition (Sc0.45Y0.55)2O3 are presented. These reduced temperatures enable for the first time the growth of high optical quality mixed sesquioxide crystals with disordered structure by the conventional Czochralski method from iridium crucibles. An (Er0.07Sc0.50Y0.43)2O3 crystal is successfully grown and characterized with respect to its crystallographic properties as well as its composition, thermal conductivity and optical absorption in the 1 µm range.
    Description: The phase diagram of the ternary system Lu2O3–Sc2O3–Y2O3 is investigated and compositions with melting points below 2200°C are found. This allows for the first successful growth of the mixed cubic sesquioxide crystal (Er0.07Sc0.50Y0.43)2O3 by the Czochralski method from an iridium crucible. image
    Keywords: 548 ; crystal growth ; optical materials ; phase diagrams ; melting points ; rare earth sesquioxides
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  • 75
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    Exploring Employee Perceptions towards Smart Working during the COVID-19 Pandemic: a Comparative Analysis of Two Italian Public Research Organizations (2021)
    Springer Nature
    Details
    Publication Date: 2022-03-16
    Description: Of all the socio-economic changes caused by the Covid-19 pandemic, the disruption to workforce organizations will probably leave the largest indelible mark. The way work will be organized in the future will be closely linked to the experience of work-ing under the same institution’s response to the pandemic. This paper aims to fill the gap in knowledge about smart working (SW) in public organizations, with a focus on the experience of the employees of two Italian research organizations, CNR and INGV. Analysing primary data, it explored and assessed how SW had been experi-enced following the implementation of governmental measures aimed at limiting the spread of COVID-19
    Description: Published
    Description: 815–833
    Description: 2TM. Divulgazione Scientifica
    Description: JCR Journal
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 76
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    Combining audio and visual displays to highlight temporal and spatial seismic patterns (2021)
    Springer Nature
    Details
    Publication Date: 2022-03-16
    Description: Data visualization, and to a lesser extent data sonification, are classic tools to the scientific community. However, these two approaches are very rarely combined, although they are highly complementary: our visual system is good at recognizing spatial patterns, whereas our auditory system is better tuned for temporal patterns. In this article, data representation methods are proposed that combine visualization, sonification, and spatial audio techniques, in order to optimize the user’s perception of spatial and temporal patterns in a single display, to increase the feeling of immersion, and to take advantage of multimodal integration mechanisms. Three seismic data sets are used to illustrate the methods, covering different physical phenomena, time scales, spatial distributions, and spatio-temporal dynamics. The methods are adapted to the specificities of each data set, and to the amount of information that the designer wants to display. This leads to further developments, namely the use of audification with two time scales, the switch from pure audification to time-modulated noise, and the switch from pure audification to sonic icons. First user feedback from live demonstrations indicates that the methods presented in this article seem to enhance the perception of spatio-temporal patterns, which is a key parameter to the understanding of seismically active systems, and a step towards apprehending the processes that drive this activity.
    Description: Published
    Description: 125–142
    Description: 7T. Variazioni delle caratteristiche crostali e "precursori"
    Description: JCR Journal
    Keywords: 04.06. Seismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 77
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    Deep water inflow slowed offshore expansion of the West Antarctic Ice Sheet at the Eocene-Oligocene transition (2022)
    Springer Nature
    In:  EPIC3Nature Communications Earth & Environment, Springer Nature, 3(1)
    Details
    Publication Date: 2022-02-21
    Description: The stability of the West Antarctic Ice Sheet is threatened by the incursion of warm Circumpolar Deepwater which flows southwards via cross-shelf troughs towards the coast there melting ice shelves. However, the onset of this oceanic forcing on the development and evolution of the West Antarctic Ice Sheet remains poorly understood. Here, we use single- and multichannel seismic reflection profiles to investigate the architecture of a sediment body on the shelf of the Amundsen Sea Embayment. We estimate the formation age of this sediment body to be around the Eocene-Oligocene Transition and find that it possesses the geometry and depositional pattern of a plastered sediment drift. We suggest this indicates a southward inflow of deep water which probably supplied heat and, thus, prevented West Antarctic Ice Sheet advance beyond the coast at this time. We conclude that the West Antarctic Ice Sheet has likely experienced a strong oceanic influence on its dynamics since its initial formation.
    Repository Name: EPIC Alfred Wegener Institut
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  • 78
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    Above Ground biomass stocks, pool ages and fluxes in the largest arctic delta, the Lena Delta in Siberia (2021)
    American Geophysical Union
    In:  EPIC3AGU Fall Meeting 2021, Online, 2021-12-13-2021-12-17American Geophysical Union
    Details
    Publication Date: 2022-01-07
    Description: Vegetation biomass is a globally important climate-relevant terrestrial carbon pool. Landsat, Sentinel-2 and Sentinel-1 satellite missions provide a landscape-level opportunity to upscale tundra vegetation communities and biomass in high latitude terrestrial environments. We assessed the applicability of landscape-level remote sensing for the low Arctic Lena Delta region in Northern Yakutia, Siberia, Russia. The Lena Delta is the largest delta in the Arctic and is located North of the treeline and the 10 °C July isotherm at 72° Northern Latitude in the Laptev Sea region. During the LENA2018 expedition, we set up plots for plant projective cover and Above Ground Biomass (AGB) and sampled shrubs for shrub-ring analyses. AGB is providing the magnitude of the carbon flux, whereas stand age is irreplaceable to provide the cycle rate. AGB data and shrub age data clearly show a separation between i) low disturbance landscape types with dominant AGB moss contribution, but always low vascular plant AGB (〈0.5 kg m-2) characterised by old shrubs of several decades of stand age versus ii) a much higher vascular plant AGB contribution (〉 0.5 kg m-2) with only young shrubs in high disturbance regimes. The low disturbance regimes are represented on the Holocene and Pleistocene delta terraces in form of azonal polygonal tundra complexes and softly dissected valleys with zonal tussock tundra. In contrast, the high disturbance regimes are sites of thermo-erosion such as along thermo-erosional valleys and on floodplains. We upscaled AGB and above ground carbon pool ages using a Sentinel-2 satellite acquisition from early August 2018. We classified via classification training using Elementary Sampling Units that are the 30 m x 30 m vegetation field plots. We then used the land cover classes and grouped them according to their settings either in high disturbance or low disturbance regimes with each associated AGB value ranges and shrub age regimes. We also evaluated circum-Arctic harmonized ESA GlobPermafrost land cover and vegetation height remote sensing products covering subarctic to Arctic land cover types for the central Lena Delta. The products are freely available and published in the PANGAEA data repository under https://doi.org/10.1594/PANGAEA.897916 and https://doi.org/10.1594/PANGAEA.897045. ESA GlobPermafrost land cover and vegetation height remote sensing products and our Sentinel-2 derived AGB product for the central Lena Delta shows realistic spatial patterns of landcover classes and biomass distribution at landscape level. However, in all products, the high biomass patches of high shrubs in the tundra landscape could not spatially be resolved as they are confined to patchy and linear distribution, not representing large enough areas suitable for upscaling. We found that high disturbance regimes with linked high and rapid AGB fluxes are distributed mainly on the floodplains and as patches along thermoerosioal features, e.g. valleys. Whereas the low disturbance landscapes on Yedoma upland tundra and Holocene terraces occur with larger area coverage representing decades slower and in magnitude smaller AGB fluxes.
    Repository Name: EPIC Alfred Wegener Institut
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  • 79
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    Methane Emissions from Northern Wetlands During the Holocene : A Synthesis Approach to Account for Wetland Expansion and Fen-Bog-Permafrost Transitions (Invited) (2021)
    American Geophysical Union
    In:  EPIC3AGU Fall Meeting, New Orleans, LA, USA, 2021-12-13-2021-12-17American Geophysical Union
    Details
    Publication Date: 2021-12-23
    Description: Methane emissions from northern high latitude wetlands constitute a major uncertainty in the atmospheric methane (CH4) budget during the Holocene. To reconstruct northern wetland methane emissions, we used an empirical model based on syntheses of observations of peat initiation from more than 3600 radiocarbon-dated basal peat ages, plant-macrofossil-derived peatland type from more than 250 peat cores from sites across the northern high latitudes, and observed CH4 emissions averaged from modern-day wetland types in order to explore the effects of wetland expansion and changes in wetland type. Peatland basal ages and plant macrofossil records showed the widespread formation of fens in major northern wetland complexes before 8000 BP. After 8000 BP, new fen formation continued, but widespread peatland succession (to bogs) and permafrost aggradation also occurred. Reconstructed CH4 emissions from peatlands increased rapidly between 10,600 BP and 6900 BP due to fen formation and expansion, then stabilized after 5000 BP at 42 ± 25 Tg CH4 y-1, as high methane-emitting fens transitioned to lower methane-emitting bogs and permafrost peatlands. Permafrost formation in northern peatlands after 1000 BP decreased CH4 emissions by 20% to 34 ± 21 Tg y-1 by the present day. Warming temperatures, changes in peatland hydrology, and permafrost thaw will likely change the magnitude of northern peatland emissions in the future.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Conference , notRev , info:eu-repo/semantics/conferenceObject
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  • 80
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    Monitoring the human footprint across the Arctic coastal region in the context of climate change impact assessment (2021)
    American Geophysical Union
    In:  EPIC3AGU Fall Meeting 2021, Online, 2021-12-13-2021-12-17American Geophysical Union
    Details
    Publication Date: 2021-12-26
    Description: Infrastructure and anthropogenic impacts are expanding across the Arctic. A consistent record of human impact is required in order to quantify the changes and to assess climate change impacts on the communities. We derived a first panarctic satellite-based record of expanding infrastructure and anthropogenic impacts along all permafrost affected coasts (100 km buffer) within the H2020 project Nunataryuk based on Sentinel-1/2 satellite imagery. C-band synthetic aperture radar and multi-spectral information is combined through a machine learning framework. Depending on region, we identified up to 50% more information (human presence) than in OpenStreetMap. The combination with satellite records on vegetation change (specifically NDVI from Landsat since 2000) allowed quantification of recent expansion of infrastructure. Most of the expanded human presence occurred in Russia related predominantly to oil/gas industry. The majority of areas with human presence will be subject to thaw by mid-21st century based on ground temperature trends derived from the ESA CCI+ Permafrost time series (1997-2019). Of specific concern in this context are also settlements located directly at permafrost affected coasts. An efficient erosion rate monitoring scheme needs to be developed and combined with settlement records in order to assess the risk for local communities and infrastructure. Relevant progress in the framework of the ESA EO4PAC project will be discussed.
    Repository Name: EPIC Alfred Wegener Institut
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  • 81
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    Evaluating a deep-learning approach for mapping retrogressive thaw slumps across the Arctic (2021)
    American Geophysical Union
    In:  EPIC3AGU Fall Meeting 2021, Online, 2021-12-13-2021-12-17American Geophysical Union
    Details
    Publication Date: 2021-12-26
    Description: Retrogressive thaw slumps (RTS) are typical landforms indicating processes of rapid thawing and degrading permafrost. Their abundance is increasing in many regions and quantifying their dynamics is of high importance for assessing geomorphic, hydrologic, and biogeochemical impacts of climate change in the Arctic. Here we present a deep-learning (DL) based semantic segmentation framework to detect RTS, using high-resolution multi-spectral PlanetScope, topographic (ArcticDEM elevation and slope), and medium-resolution multi-temporal Landsat Trend data. We created a highly automated processing pipeline, which is designed to allow reproducible results and to be flexible for multiple input data types. The processing workflow is based on the pytorch deep-learning framework and includes a variety of different segmentation architectures (UNet, UNet++, DeepLabV3), backbones and includes common data transformation techniques such as augmentation or normalization. We tested (training, validation) our DL based model in six different regions of 100 to 300 km² size across Canada, and Siberia. We performed a regional cross-validation (5 regions training, 1 region validation) to test the spatial robustness and transferability of the algorithm. Furthermore, we tested different architectures, backbones and loss-functions to identify the best performing and most robust parameter sets. For training the models we created a database of manually digitized and validated RTS polygons. The resulting model performance varied strongly between different regions with maximum Intersection over Union (IoU) scores between 0.15 and 0.58. The strong regional variation emphasizes the need for sufficiently large training data, which is representative of the diversity of RTS types. However, the creation of good training data proved to be challenging due to the fuzzy definition and delineation of RTS. We are further continuing to improve the usability and the functionality to add further datasets and classes. We will show first results from the upscaling beyond small test areas towards large spatial clusters of extensive RTS presence e.g. Peel Plateau in NW Canada.
    Repository Name: EPIC Alfred Wegener Institut
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  • 82
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    Evaluating the Effects of Tundra Fires on Soil Microtopography and Hydrologic Surface Networks in Polygonal Permafrost Landscapes (2021)
    American Geophysical Union
    In:  EPIC3AGU Fall Meeting 2021, Online, 2021-12-13-2021-12-17American Geophysical Union
    Details
    Publication Date: 2021-12-26
    Description: With the Earth’s climate rapidly warming, the Arctic represents one of the most vulnerable regions to environmental change. These northern high latitude regions experience intensified fire seasons and especially tundra fires are projected to become more frequent and severe. Fires in permafrost regions have extensive impacts, including the initiation of thermokarst (rapid thaw of ice-rich ground), as they combust the upper organic soil layers which provide insulation to the permafrost below. Rapid permafrost thaw is, thus, often observable in fire scars in the first years post-disturbance. In polygonal ice-wedge landscapes, this becomes most prevalent through melting ice wedges and degrading troughs. The further these ice wedges degrade, the more troughs will likely connect and build an extensive hydrological network with changing patterns and degrees of connectivity that influences hydrology and runoff. While subsiding troughs over melting ice wedges may host new ponds, an increasing connectivity may also subsequently lead to more drainage of ponds, which in turn can limit further thaw and help stabilize the landscape. To quantify the changes in such dynamic landscapes over large regions, highly automated methods are needed that allow extracting information on the geomorphic state and changes over time of ice-wedge trough networks from remote sensing data. We developed a computer vision algorithm to automatically derive ice-wedge polygonal networks and the current microtopography of the degrading troughs from very high resolution, airborne laserscanning-based digital terrain models. We represent the networks as graphs (a concept from the computer sciences to describe complex networks) and apply methods from graph theory to describe and quantify hydrological network characteristics of the changing landscape. In fire scars, we especially observe rapidly growing networks and fast micromorphological change in those degrading troughs. In our study, we provide a space-for-time substitution comparing fire scars throughout the Alaskan tundra of up to 70 years since the fire disturbance, to show how this type of disturbed landscape evolves over time.
    Repository Name: EPIC Alfred Wegener Institut
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  • 83
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    How to discover an unknown mega-landslide in the Siberian far-east (2021)
    American Geophysical Union
    In:  EPIC3AGU Fall Meeting 2021, Online, 2021-12-13-2021-12-17American Geophysical Union
    Details
    Publication Date: 2021-12-26
    Description: Using our custom visualization tool for multitemporal Landsat satellite imagery we discovered, to our knowledge, an undocumented mega-landslide in far-east Siberia, which occurred in summer 2017 (https://bit.ly/2WYRLM1; 61.55°N; 170.01°E). To create and visualize this unique dataset, we processed temporal trends of multispectral indices of 〉100,000 Landsat images for a period from 2000-2019 using the freely available Google Earth Engine cloud processing platform (https://ingmarnitze.users.earthengine.app/view/hotspottcvisapp). The megaslide has a size of 3.66 km² and using the ArcticDEM data we estimate a volume movement of ~20 Mm³. With this size and volume, the landslide is among the largest globally known in recent decades. The landslide is accompanied by a smaller one (0.31 km², 1 Mm³) about 600 m further east, which already occurred in summer 2015. The large landslide caused the formation of several small lakes by blocking two valleys with debris and within newly formed crevasses near the hilltop, which are still persisting as of August 2021. As this event occurred in a remote valley far from any settlement, no visible damage to infrastructure or human livelihoods was detected. The remoteness has likely led to being not detected, like many similar, albeit a lot smaller, erosion features in the Arctic permafrost region. In this presentation we will show the main properties of the landslide, potential trigger mechanisms in the traditional sense. As this region is located along the fringes of permafrost presence we will discuss its potential connection to the rapidly warming climate in the high latitudes. Further, we will discuss how such a large event remained undetected for several years. We discuss and highlight the value of our landscape change visualization tool based on Landsat trend analysis (see Nitze et al., AGU 2020), which helped us to identify this extreme event. With more and more available data sources, this tool in addition to automated image analysis (e.g. deep-learning) or seismic analysis will help to uncover the hidden processes and dynamics of the Earth’s surface.
    Repository Name: EPIC Alfred Wegener Institut
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  • 84
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    The future of community- and policy- relevant thermokarst research: Lessons learned and a call to action (2021)
    American Geophysical Union
    In:  EPIC3AGU Fall Meeting 2021, Online, 2021-12-13-2021-12-17American Geophysical Union
    Details
    Publication Date: 2021-12-26
    Description: Several decades of research have provided insight into patterns of and controls on thermokarst initiation and expansion, yet studies tend to focus on individual types of thermokarst (i.e., thaw lake formation and subsequent drainage) in particular regions. Today, we are left with uneven knowledge about abrupt permafrost thaw both conceptually and regionally. The goal of this presentation is to summarize recent advancements in monitoring thermokarst and its impact on soil, vegetation, and water while also framing a call to action for the next decade of research. Over the next decade, permafrost researchers must align their efforts on several fronts to not only increase our knowledge about changing permafrost but to align this knowledge with key community and policy needs. To support climate change planning and adaptation, northern communities need future thaw vulnerability mapped at scales relevant to their needs, which will require a suite of downscaled and new mapping and remote sensing products. Thermokarst predisposition maps based on circumpolar datasets greatly overestimate the area vulnerable to thermokarst, which can lead to poor planning and climate anxiety. In some situations, existing mapping products may be useful for downscaling with more detailed input data. In other situations, entirely new approaches may be required to support local action. A second key need for community relevant research is the ability to detect and monitor early warning indicators of thermokarst. Such information is needed to support scenario planning and to help mitigate the risks to social, cultural, and physical infrastructure created by permafrost change. We are evaluating the potential for using changes in vegetation, wetting/drying and topography as early warning indicators of thermokarst, all of which can be remotely sensed. Finally, integrating fine-scale disturbances such as thermokarst into large scale models remains a key challenge but critical for supporting sound climate policy. While a diversity of permafrost modeling approaches is necessary, we outline guiding principles that will help enhance model comparisons, assimilation of simulated data across spatiotemporal scales, and the ability for policy decisions to be rapidly informed by emerging science on permafrost change.
    Repository Name: EPIC Alfred Wegener Institut
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  • 85
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    Interglacial Antarctic–Southern Ocean climate decoupling due to moisture source area shifts (2021)
    Springer Nature
    In:  EPIC3Nature Geoscience, Springer Nature, ISSN: 1752-0894
    Details
    Publication Date: 2021-12-15
    Description: Succession of cold glacials and warm interglacials during the Quaternary results from large global climate responses to variable orbital configurations, accompanied by fluctuating greenhouse gas concentrations. Despite the influences of sea ice and atmospheric and ocean circulations in the Southern Ocean on atmospheric CO2 concentrations and climate, past changes in this region remain poorly documented. Here, we present the 800 ka deuterium excess record from the East Antarctica EPICA Dome C ice core, tracking sea surface temperature in evaporative regions of the Indian sector of the Southern Ocean from which moisture precipitated in East Antarctica is derived. We find that low obliquity leads to surface warming in evaporative moisture source regions during each glacial inception, although this relative temperature increase is counterbalanced by global cooling during glacial maxima. Links between the two regions during interglacials depends on the existence of a temperature maximum at the interglacial onset. In its absence, temperature maxima in the evaporative moisture source regions and in East Antarctica were synchronous. For the other interglacials, temperature maxima in the source areas lag early local temperature maxima by several thousand years, probably because of a change in the position of the evaporative source areas.
    Repository Name: EPIC Alfred Wegener Institut
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  • 86
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    Selective feeding in Southern Ocean key grazers—diet composition of krill and salps (2021)
    Springer Nature
    In:  EPIC3Communications Biology, Springer Nature, 4(1), ISSN: 2399-3642
    Details
    Publication Date: 2021-12-15
    Description: Over the past decades, two key grazers in the Southern Ocean (SO), krill and salps, have experienced drastic changes in their distribution and abundance, leading to increasing overlap of their habitats. Both species occupy different ecological niches and long-term shifts in their distributions are expected to have cascading effects on the SO ecosystem. However, studies directly comparing krill and salps are lacking. Here, we provide a direct comparison of the diet and fecal pellet composition of krill and salps using 18S metabarcoding and fatty acid markers. Neither species’ diet reflected the composition of the plankton community, suggesting that in contrast to the accepted paradigm, not only krill but also salps are selective feeders. Moreover, we found that krill and salps had broadly similar diets, potentially enhancing the competition between both species. This could be augmented by salps’ ability to rapidly reproduce in favorable conditions, posing further risks to krill populations.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , peerRev
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  • 87
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    Short-term clustering modeling of seismicity in Eastern Aegean Sea (Greece): a retrospective forecast test of the 2017 Mw = 6.4 Lesvos, 2017 Mw = 6.6 Kos and 2020 Mw = 7.0 Samos earthquake sequences (2021)
    Springer Nature
    Details
    Publication Date: 2021-11-03
    Description: Short-term earthquake clustering properties in the Eastern Aegean Sea (Greece) area investigated through the application of an epidemic type stochastic model (Epidemic Type Earthquake Sequence; ETES). The computations are performed in an earthquake catalog covering the period 2008 to 2020 and including 2332 events with a completeness threshold of Mc = 3.1 and separated into two subcatalogs. The first subcatalog is employed for the learning period, which is between 2008/01/01 and 2016/12/31 (N = 1197 earthquakes), and used for the model’s parameters estimation. The second subcatalog from 2017/01/01 to 2020/11/10 (1135 earthquakes), in which the sequences of 2017 Mw = 6.4 Lesvos, 2017 Mw = 6.6 Kos and 2020 Mw = 7.0 Samos main shocks are included, and used for a retrospective forecast testing based on the constructed model. The estimated model parameters imply a swarm like behavior, indicating the ability of earthquakes of small to moderate magnitude above Mc to produce their own offsprings, along with the stronger earthquakes. The retrospective evaluation of the model is examined in the three aftershock sequences, where lack of foreshocks resulted in low predictability of the mainshocks, with estimated daily probabilities around 10– 5. Immediately after the mainshocks occurrence the model adjusts with notable resemblance between the expected and observed aftershock rates, particularly for earthquakes with M ≥ 3.5.
    Description: Published
    Description: 1085–1099
    Description: 6T. Studi di pericolosità sismica e da maremoto
    Description: JCR Journal
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 88
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    Simulation of non-stationary stochastic ground motions based on recent Italian earthquakes (2021)
    Springer Nature
    Details
    Publication Date: 2021-11-29
    Description: This work presents an up-to-date model for the simulation of non-stationary ground motions, including several novelties compared to the original study of Sabetta and Pugliese (Bull Seism Soc Am 86:337–352, 1996). The selection of the input motion in the framework of earthquake engineering has become progressively more important with the growing use of nonlinear dynamic analyses. Regardless of the increasing availability of large strong motion databases, ground motion records are not always available for a given earthquake scenario and site condition, requiring the adoption of simulated time series. Among the different techniques for the generation of ground motion records, we focused on the methods based on stochastic simulations, considering the time- frequency decomposition of the seismic ground motion. We updated the non-stationary stochastic model initially developed in Sabetta and Pugliese (Bull Seism Soc Am 86:337–352, 1996) and later modified by Pousse et al. (Bull Seism Soc Am 96:2103–2117, 2006) and Laurendeau et al. (Nonstationary stochastic simulation of strong ground-motion time histories: application to the Japanese database. 15 WCEE Lisbon, 2012). The model is based on the S-transform that implicitly considers both the amplitude and frequency modulation. The four model parameters required for the simulation are: Arias intensity, significant duration, central frequency, and frequency bandwidth. They were obtained from an empirical ground motion model calibrated using the accelerometric records included in the updated Italian strong-motion database ITACA. The simulated accelerograms show a good match with the ground motion model prediction of several amplitude and frequency measures, such as Arias intensity, peak acceleration, peak velocity, Fourier spectra, and response spectra.
    Description: Published
    Description: 3287–3315
    Description: 5T. Sismologia, geofisica e geologia per l'ingegneria sismica
    Description: JCR Journal
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  • 89
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    Insights on the Italian Seismic Network from location uncertainties (2021)
    Springer Nature
    Details
    Publication Date: 2021-12-01
    Description: Probabilistic earthquake locations provide confidence intervals for the hypocentre solutions such as errors encountered in the position, the origin time, and in magnitude. If the relationship of the parameters relative to the local arrangement of the seismic network is considered, such as the node distance, the number of stations, the seismic gap, and the quality of phase readings), the uncertainties can then provide insights on the location capability of the network. In this paper, we collect the earthquake data recorded from the Italian Seismic Network for a time span of 5 years. The data pertain to three different catalogues according to the progressive refinement phases of the location procedure: automatic location, revised location, and published location. By means of spatial analysis,we assess the distribution of the location-related and network-related estimators across the study area. These estimators are subsequently combined to assess the existence of spatial correlations at a local scale. The results indicate that the Italian network is generally able to provide robust locations at the national scale and for smaller earthquakes, and the elongated shape of Italy (and of its network) does not cause systematic bias in the locations. However, we highlight the existence of subregions in which the performance of the network is weaker. At present, a unique 2D, 3-layer velocity model is used for the earthquake location procedure, and this could represent the main limitation for the improvement of the locations. Therefore, the assessment of locally optimized velocity models is the priority for the homogenization and the improvement of the Italian Seismic Network performance.
    Description: Published
    Description: 1061–1076
    Description: 1IT. Reti di monitoraggio e sorveglianza
    Description: JCR Journal
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  • 90
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    New trenching results along the İznik segment of the central strand of the North Anatolian Fault (Turkey): an integration with preexisting data (2021)
    Springer Nature
    Details
    Publication Date: 2021-12-06
    Description: This paper provides a new contribution to the construction of the complex and fragmentary mosaic of the Late Holocene earthquakes history of the İznik segment of the central strand of the North Anatolian Fault (CNAF) in Turkey. The CNAF clearly displays lower dextral slip rates with respect to the northern strand however, surface rupturing and large damaging earthquakes (M 〉 7) occurred in the past, leaving clear signatures in the built and natural environments. The association of these historical events to specific earthquake sources (e.g., Gemlik, İznik, or Geyve fault segments) is still a matter of debate. We excavated two trenches across the İznik fault trace near Mustafali, a village about 10 km WSW of İznik where the morphological fault scarp was visible although modified by agricultural activities. Radiocarbon and TL dating on samples collected from the trenches show that the displaced deposits are very recent and span the past 2 millennia at most. Evidence for four surface faulting events was found in the Mustafali trenches. The integration of these results with historical data and previous paleoseismological data yields an updated Late Holocene history of surface-rupturing earthquakes along the İznik Fault in 1855, 740 (715), 362, and 121 CE. Evidence for the large M7 + historical earthquake dated 1419 CE generally attributed to this fault, was not found at any trench site along the İznik fault nor in the subaqueous record. This unfit between paleoseismological, stratigraphic, and historical data highlights one more time the urge for extensive paleoseismological trenching and offshore campaigns because of the high potential to solve the uncertainties on the seismogenic history (age, earthquake location, extent of the rupture and size) of this portion of NAFZ and especially on the attribution of historical earthquakes to the causative fault.
    Description: Published
    Description: 115–128
    Description: 2T. Deformazione crostale attiva
    Description: N/A or not JCR
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  • 91
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    Structure of the Shallow Supply System at Stromboli Volcano, Italy, through Integration of Muography, Digital Elevation Models, Seismicity, and Ground Deformation Data (2022)
    American Geophysical Union
    Details
    Publication Date: 2022-02-10
    Description: Muography represents a recent and innovative tool for investigating the interior of active volcanoes. However, when dealing with frequently erupting open-vent volcanoes such as Stromboli, any result should take into con- sideration the structural and morphology changes caused by the eruptive activity. This may cause either summit collapses by magma withdrawal, or morphology growth by the accumulations of a fallout from the explosive activity, or more often a combination of both. In this chapter, we present an integration of various techniques, comprising muography and digital elevation model reconstruction, together with GBInSAR ground deformation and volcano seismicity, to reconstruct the geometry of the shallow magma supply system of the volcano and its changes in time. We show how muography can display the interior of the volcano as well as its outer growth, being sensitive to all volume changes that occurred between the framed surface and the detector. This was discovered in Stromboli by comparing digital topography in the interval between 2010 and 2012, when the rapid growth of the volcano summit by the accumulation of ballistic products in the area between the crater zone and the muon detec- tor occurred. This deposit, together with the filling in of the graben-like depression, formed during the 2007 eruption, by fallout during the persistent explosive activity, contributed to generating a remarkable anomaly in the summit area of the volcano visualized by muography. In addition, the shallow feeding system of the volcano was surveyed by GBInSAR and seismicity, which allowed us to reconstruct its path up to a depth of a few hundred meters.
    Description: Published
    Description: 75-91
    Description: 2V. Struttura e sistema di alimentazione dei vulcani
    Keywords: Stromboli volcano ; Shallow supply system ; Muography of active volcanoes
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
    Type: book chapter
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  • 92
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    Checking the site categorization criteria and amplification factors of the 2021 draft of Eurocode 8 Part 1–1 (2021)
    Springer Nature
    Details
    Publication Date: 2021-11-29
    Description: In this paper the site categorization criteria and the corresponding site amplification factors proposed in the 2021 draft of Part 1 of Eurocode 8 (2021-draft, CEN/TC250/SC8 Working Draft N1017) are first introduced and compared with the current version of Eurocode 8, as well as with site amplification factors from recent empirical ground motion prediction equations. Afterwards, these values are checked by two approaches. First, a wide dataset of strong motion records is built, where recording stations are classified according to 2021-draft, and the spectral amplifications are empirically estimated computing the site-to-site residuals from regional and global ground motion models for reference rock conditions. Second, a comprehensive parametric numerical study of one-dimensional (1D) site amplification is carried out, based on randomly generated shear-wave velocity profiles, classified according to the new criteria. A reasonably good agreement is found by both approaches. The most relevant discrepancies occur for the shallow soft soil conditions (soil category E) that, owing to the complex interaction of shear wave velocity, soil deposit thickness and frequency range of the excitation, show the largest scatter both in terms of records and of 1D numerical simulations. Furthermore, 1D numerical simulations for soft soil conditions tend to provide lower site amplification factors than 2021-draft, as well as lower than the corresponding site-to-site residuals from records, because of higher impact of non-linear (NL) site effects in the simulations. A site-specific study on NL effects at three KiK-net stations with a significantly large amount of high-intensity recorded ground motions gives support to the 2021-draft NL reduction factors, although the very limited number of recording stations allowing such analysis prevents deriving more general implications. In the presence of such controversial arguments, it is reasonable that a standard should adopt a prudent solution, with a limited reduction of the site amplification factors to account for NL soil response, while leaving the possibility to carry out site-specific estimations of such factors when sufficient information is available to model the ground strain dependency of local soil properties.
    Description: Published
    Description: 4199–4234
    Description: 5T. Sismologia, geofisica e geologia per l'ingegneria sismica
    Description: JCR Journal
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  • 93
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    Exceedance of design actions in epicentral areas: insights from the ShakeMap envelopes for the 2016–2017 central Italy sequence (2021)
    Springer Nature
    Details
    Publication Date: 2021-11-29
    Description: ShakeMap is the tool to evaluate the ground motion effect of earthquakes in vast areas. It is useful to delimit the zones where the shaking is expected to have been most significant, for civil defense rapid response. From the earthquake engineering point of view, it can be used to infer the seismic actions on the built environment to calibrate vulnerability models or to define the reconstruction policies based on observed damage vs shaking. In the case of long-lasting seismic sequences, it can be useful to develop ShakeMap envelopes, that is, maps of the largest ground intensity among those from the ShakeMap of (selected) events of a seismic sequence, to delimit areas where the effects of the whole sequence have been of structural engineering relevance. This study introduces ShakeMap envelopes and discusses them for the central Italy 2016–2017 seismic sequence. The specific goals of the study are: (i) to compare the envelopes and the ShakeMap of the main events of the sequence to make the case for sequence-based maps; (ii) to quantify the exceedance of design seismic actions based on the envelopes; (iii) to make envelopes available for further studies and the reconstruction planning; (iv) to gather insights on the (repeated) exceedance of design seismic actions at some sites. Results, which include considerations of uncertainty in ShakeMap, show that the sequence caused exceedance of design hazard in thousands of square kilometers. The most relevant effects of the sequence are, as expected, due to the mainshock, yet seismic actions larger than those enforced by the code for structural design are found also around the epicenters of the smaller magnitude events. At some locations, the succession of ground-shaking that has excited structures, provides insights on structural damage accumulation that has likely taken place; something that is not accounted for explicitly in modern seismic design. The envelopes developed are available as supplemental material.
    Description: Published
    Description: 5391–5414
    Description: 5T. Sismologia, geofisica e geologia per l'ingegneria sismica
    Description: JCR Journal
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  • 94
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    Automatic inspection and analysis of digital waveform images by means of convolutional neural networks (2021)
    Springer Nature
    Details
    Publication Date: 2021-12-13
    Description: Analyzing seismic data to get information about earthquakes has always been a major task for seismologists and, more in general, for geophysicists. Recently, thanks to the technological development of observation systems, more and more data are available to perform such tasks. However, this data “grow up” makes “human possibility” of data processing more complex in terms of required efforts and time demanding. That is why new technological approaches such as artificial intelligence are becoming very popular and more and more exploited. In this paper, we explore the possibility of interpreting seismic waveform segments by means of pre-trained deep learning. More specifically, we apply convolutional networks to seismological waveforms recorded at local or regional distances without any pre-elaboration or filtering. We show that such an approach can be very successful in determining if an earthquake is “included” in the seismic wave image and in estimating the distance between the earthquake epicenter and the recording station.
    Description: Published
    Description: 1347–1359
    Description: 1T. Struttura della Terra
    Description: 3T. Fisica dei terremoti e Sorgente Sismica
    Description: JCR Journal
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  • 95
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    Midlatitude climatology of the ionospheric equivalent slab thickness over two solar cycles (2021)
    Springer Nature
    Details
    Publication Date: 2021-10-25
    Description: Themain climatological features of the ionospheric equivalent slab thickness (τ ) for the Northern hemispheremidlatitudes are analyzed. F2-layer peak electron density values recorded at three midlatitude ionospheric stations (Chilton 51.5° N, 0.6° W, U.K.; Roquetes 40.8° N, 0.5° E, Spain;Wallops Island 37.9° N, 75.5°W, USA) and vertical total electron content values from colocated ground-based Global Navigation Satellite System receivers are used to calculate a dataset of τ values for the last two solar cycles, considering only magnetically quiet periods. Results are presented both as grids of binned medians and as boxplots as a function of local time and month of the year, for different solar activity levels. Corresponding trends are first compared to those output by the midlatitude empirical model developed by Fox et al. (Radio Sci 26:429–438, 1991) and then discussed in the light of what is known so far. From this investigation, the strong need to implement an improved empirical model of τ has emerged. Both Space Weather and Space Geodesy applications might benefit from such model. Therefore, both the dataset and the methodology described in the paper represent a first fundamental step aimed at implementing an empirical climatological model of the ionospheric equivalent slab thickness. The study highlighted also that at midlatitudes τ shows the following main patterns: daytime values considerably smaller than nighttime ones (except in summer); well-defined maxima at solar terminator hours; a greater dispersion during nighttime and solar terminator hours; no clear and evident solar activity dependence.
    Description: Published
    Description: 124
    Description: 2A. Fisica dell'alta atmosfera
    Description: JCR Journal
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  • 96
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    Fracturing and healing of basaltic magmas during explosive volcanic eruptions (2021)
    Springer Nature
    Details
    Publication Date: 2021-11-26
    Description: The eruption of basaltic magmas dominates explosive volcanism on Earth and other planets within the Solar System. The mechanism through which continuous magma fragments into volcanic particles is central in governing eruption dynamics and the ensuing hazards. However, the mechanism of fragmentation of basaltic magmas is still disputed, with both viscous and brittle mechanisms having been proposed. Here we carry out textural analysis of the products of ten eruptions from seven volcanoes by scanning electron microscopy. We find broken crystals surrounded by intact glass that testify to the brittle fragmentation of basaltic magmas during explosive activity worldwide. We then replicated the natural textures of broken crystals in laboratory experiments where variably crystallized basaltic melt was fragmented by rapid deformation. The experiments reveal that crystals are broken by the propagation of a network of fractures through magma, and that afterwards the fractures heal by viscous flow of the melt. Fracturing and healing affect gas mobility, stress distribution, and bubble and crystal size distributions in magma. Our results challenge the idea that the grain size distribution of basaltic eruption products reflects the density of fractures that initially fragmented the magma and ultimately indicate that brittle fracturing and viscous healing of magma may underlie basaltic explosive eruptions globally.
    Description: Published
    Description: 248–254
    Description: 4V. Processi pre-eruttivi
    Description: 5V. Processi eruttivi e post-eruttivi
    Description: JCR Journal
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  • 97
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    Catching the Main Ethiopian Rift evolving towards plate divergence (2022)
    Springer Nature
    Details
    Publication Date: 2022-02-11
    Description: Magmatism accompanies rifting along divergent plate boundaries, although its role before continental breakup remains poorly understood. For example, the magma-assisted Northern Main Ethiopian Rift (NMER) lacks current volcanism and clear tectono-magmatic relationships with its contiguous rift portions. Here we define its magmatic behaviour, identifying the most recent eruptive fissures (EF) whose aphyric basalts have a higher Ti content than those of older monogenetic scoria cones (MSC), which are porphyritic and plagioclase-dominated. Despite these differences, calculations highlight a similar parental melt for EF and MSC products, suggesting only a different evolutionary history after melt generation. While MSC magmas underwent a further step of storage at intermediate crustal levels, EF magmas rose directly from the base of the crust without contamination, even below older polygenetic volcanoes, suggesting rapid propagation of transcrustal dikes across solidified magma chambers. Whether this recent condition in the NMER is stable or transient, it indicates a transition from central polygenetic to linear fissure volcanism, indicative of increased tensile conditions and volcanism directly fed from the base of the crust, suggesting transition towards mature rifting.
    Description: Published
    Description: 21821
    Description: 2V. Struttura e sistema di alimentazione dei vulcani
    Description: JCR Journal
    Keywords: 04.08. Volcanology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 98
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    Neapolitan volcanoes (2021)
    Springer Nature
    Details
    Publication Date: 2021-12-24
    Description: This book serves as a guide to discovering the most interesting volcano sites in Italy. Accompanied by some extraordinary contemporary images of active Neapolitan volcanoes, it explains the main volcanic processes that have been shaping the landscape of the Campania region and influencing human settlements in this area since Greek and Roman times and that have prompted leading international scientists to visit and study this natural volcanology laboratory. While volcanology is the central topic, the book also addresses other aspects related to the area’s volcanism and is divided into three sections: 1) Neapolitan volcanic activity and processes (with a general introduction to volcanology and its development around Naples together with descriptions of the landscape and the main sites worth visiting); 2) Volcanoes and their interactions with local human settlements since the Bronze Age, recent population growth and the transformation of the territory; 3) The risks posed by Neapolitan Volcanoes, their recent activity and the problem of forecasting any future eruption.
    Description: Published
    Description: 2TM. Divulgazione Scientifica
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  • 99
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    Effects of CO 2 and ocean mixing on Miocene and Pliocene temperature gradients (2022)
    American Geophysical Union
    In:  EPIC3Paleoceanography and Paleoclimatology, American Geophysical Union, 37(2), pp. e2020PA003953, ISSN: 2572-4517
    Details
    Publication Date: 2022-02-15
    Description: Cenozoic climate changes have been linked to tectonic activity and variations in atmospheric CO2 concentrations. Here we present Miocene and Pliocene sensitivity experiments performed with the climate model COSMOS. The experiments contain changes with respect to paleogeography, ocean gateway configuration, and atmospheric CO2 concentrations, as well as a range of vertical mixing coefficients in the ocean. For the Mid-Miocene, we show that the impact of ocean mixing on surface temperature is comparable to the effect of the possible range in reconstructed CO2 concentrations. In combination with stronger vertical mixing, relatively moderate CO2-concentrations of 450 ppmv enable global mean surface, deep-water and meridional temperature characteristics representative of Mid-Miocene Climatic Optimum (MMCO) reconstructions. The Miocene climate shows a reduced meridional temperature gradient and reduced seasonality. In the case of enhanced mixing, surface and deep ocean temperatures show significant warming of up to 5-10°C and an Arctic temperature anomaly of more than 12°C. In the Pliocene simulations, the impact of vertical mixing and CO2 is less important for the deep ocean, which we interpret as a different sensitivity dependence on the background state and mixed layer dynamics. We find a significant reduction in surface albedo and effective emissivity for either a high level of atmospheric CO2 or increased vertical mixing. Our mixing sensitivity experiments provide a warm deep ocean via ocean heat uptake. We propose that the mixing hypothesis can be tested by reconstructions of the thermocline and seasonal paleoclimate data indicating a lower seasonality relative to today.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 100
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    Numerical modelling of pan-arctic erosion using globally-available forcing data (2021)
    American Geophysical Union
    In:  EPIC3American Geophysical Union Conference 2021, Hybrid Online and in New Orleans, 2021-12-13-2021-12-17AGU 2021, American Geophysical Union
    Details
    Publication Date: 2022-02-15
    Description: As air temperatures rise and sea ice cover declines in the Arctic, permafrost coastal cliffs thaw more rapidly and wave energy rises. Thus, as the open water season continues to lengthen, climate change triggers a large part of the Arctic shoreline to become increasingly vulnerable to erosion. Arctic erosion supplies nutrient-laden and carbon-rich sediment into nearshore ecosystems. A retreating coastline also has consequences for residential, cultural, and industrial infrastructure. Despite its importance, erosion is currently neglected in global climate models, and existing physics-based numerical models of Arctic shoreline erosion are too complex and regionally-focused to be applied on a pan-Arctic scale. Here, we apply our simplified numerical erosion model, ArcticBeach v1.0, to the entire Arctic coastline. ArcticBeach v1.0 has previously been shown to simulate retreat rates at two sites that differ substantially in their main mechanisms of retreat (sub-aerial erosion/thaw slumping versus notch/block erosion). The model uses heat and sediment volume balances in order to predict horizontal cliff retreat and vertical erosion of a fronting beach. It contains an erosion module that uses empirical equations to estimate cross-shore sediment transport, coupled to a storm surge module forced by wind. We present Arctic maps of regional variation in trends in 2-meter air temperature, sea ice concentration, and wind speed.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Conference , notRev
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