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  • International Union of Crystallography (IUCr)
  • Nature Publishing Group
  • 2010-2014  (206)
  • 1980-1984  (23,570)
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  • 1
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    Nature Publishing Group
    In:  EPIC3Nature Geoscience, Nature Publishing Group, 7(5), pp. 376-381, ISSN: 1752-0894
    Publication Date: 2014-07-14
    Description: During the Middle Miocene climate transition about 14 million years ago, the Antarctic ice sheet expanded to near-modern volume. Surprisingly, this ice sheet growth was accompanied by a warming in the surface waters of the Southern Ocean, whereas a slight deep-water temperature increase was delayed by more than 200 thousand years. Here we use a coupled atmosphere–ocean model to assess the relative effects of changes in atmospheric CO2 concentration and ice sheet growth on regional and global temperatures. In the simulations, changes in the wind field associated with the growth of the ice sheet induce changes in ocean circulation, deep-water formation and sea-ice cover that result in sea surface warming and deep-water cooling in large swaths of the Atlantic and Indian ocean sectors of the Southern Ocean. We interpret these changes as the dominant ocean surface response to a 100-thousand-year phase of massive ice growth in Antarctica. A rise in global annual mean temperatures is also seen in response to increased Antarctic ice surface elevation. In contrast, the longer-term surface and deep-water temperature trends are dominated by changes in atmospheric CO2 concentration. We therefore conclude that the climatic and oceanographic impacts of the Miocene expansion of the Antarctic ice sheet are governed by a complex interplay between wind field, ocean circulation and the sea-ice system.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 2
    Publication Date: 2014-07-17
    Description: Thermokarst lakes formed across vast regions of Siberia and Alaska during the last deglaciation and are thought to be a net source of atmospheric methane and carbon dioxide during the Holocene epoch1, 2, 3, 4. However, the same thermokarst lakes can also sequester carbon5, and it remains uncertain whether carbon uptake by thermokarst lakes can offset their greenhouse gas emissions. Here we use field observations of Siberian permafrost exposures, radiocarbon dating and spatial analyses to quantify Holocene carbon stocks and fluxes in lake sediments overlying thawed Pleistocene-aged permafrost. We find that carbon accumulation in deep thermokarst-lake sediments since the last deglaciation is about 1.6 times larger than the mass of Pleistocene-aged permafrost carbon released as greenhouse gases when the lakes first formed. Although methane and carbon dioxide emissions following thaw lead to immediate radiative warming, carbon uptake in peat-rich sediments occurs over millennial timescales. We assess thermokarst-lake carbon feedbacks to climate with an atmospheric perturbation model and find that thermokarst basins switched from a net radiative warming to a net cooling climate effect about 5,000 years ago. High rates of Holocene carbon accumulation in 20 lake sediments (47 ± 10 grams of carbon per square metre per year; mean ± standard error) were driven by thermokarst erosion and deposition of terrestrial organic matter, by nutrient release from thawing permafrost that stimulated lake productivity and by slow decomposition in cold, anoxic lake bottoms. When lakes eventually drained, permafrost formation rapidly sequestered sediment carbon. Our estimate of about 160 petagrams of Holocene organic carbon in deep lake basins of Siberia and Alaska increases the circumpolar peat carbon pool estimate for permafrost regions by over 50 per cent (ref. 6). The carbon in perennially frozen drained lake sediments may become vulnerable to mineralization as permafrost disappears7, 8, 9, potentially negating the climate stabilization provided by thermokarst lakes during the late Holocene.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev , info:eu-repo/semantics/article
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  • 3
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    Nature Publishing Group
    In:  EPIC3Nature, Nature Publishing Group, 512(7514), pp. 290-294, ISSN: 0028-0836
    Publication Date: 2014-09-04
    Description: During glacial periods of the Late Pleistocene, an abundance of proxy data demonstrates the existence of large and repeated millennial-scale warming episodes, known as Dansgaard–Oeschger (DO) events1. This ubiquitous feature of rapid glacial climate change can be extended back as far as 800,000 years before present (BP) in the ice core record2, and has drawn broad attention within the science and policy-making communities alike3. Many studies have been dedicated to investigating the underlying causes of these changes, but no coherent mechanism has yet been identified3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15. Here we show, by using a comprehensive fully coupled model16, that gradual changes in the height of the Northern Hemisphere ice sheets (NHISs) can alter the coupled atmosphere–ocean system and cause rapid glacial climate shifts closely resembling DO events. The simulated global climate responses—including abrupt warming in the North Atlantic, a northward shift of the tropical rainbelts, and Southern Hemisphere cooling related to the bipolar seesaw—are generally consistent with empirical evidence1, 3, 17. As a result of the coexistence of two glacial ocean circulation states at intermediate heights of the ice sheets, minor changes in the height of the NHISs and the amount of atmospheric CO2 can trigger the rapid climate transitions via a local positive atmosphere–ocean–sea-ice feedback in the North Atlantic. Our results, although based on a single model, thus provide a coherent concept for understanding the recorded millennial-scale variability and abrupt climate changes in the coupled atmosphere–ocean system, as well as their linkages to the volume of the intermediate ice sheets during glacials.
    Repository Name: EPIC Alfred Wegener Institut
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  • 4
    Publication Date: 2019-03-08
    Description: Coccolithophores have influenced the global climate for over 200 million years1. These marine phytoplankton can account for 20 per cent of total carbon fixation in some systems2. They form blooms that can occupy hundreds of thousands of square kilometres and are distinguished by their elegantly sculpted calcium carbonate exoskeletons (coccoliths), rendering themvisible fromspace3.Although coccolithophores export carbon in the form of organic matter and calcite to the sea floor, they also release CO2 in the calcification process. Hence, they have a complex influence on the carbon cycle, driving either CO2 production or uptake, sequestration and export to the deep ocean4. Here we report the first haptophyte reference genome, from the coccolithophore Emiliania huxleyi strain CCMP1516, and sequences from 13 additional isolates. Our analyses reveal a pan genome (core genes plus genes distributed variably between strains) probably supported by an atypical complement of repetitive sequence in the genome. Comparisons across strains demonstrate thatE. huxleyi, which has long been considered a single species, harbours extensive genome variability reflected in different metabolic repertoires. Genome variability within this species complex seems to underpin its capacity both to thrive in habitats ranging from the equator to the subarctic and to form large-scale episodic blooms under a wide variety of environmental conditions.
    Repository Name: EPIC Alfred Wegener Institut
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  • 5
    Publication Date: 2017-04-04
    Description: The MW 8.8 mega-thrust earthquake and tsunami that occurred on February 27, 2010, offshore Maule region, Chile, was not unexpected. A clearly identified seismic gap existed in an area where tectonic loading has been accumulating since the great 1835 earthquake experienced and described by Darwin during the voyage of the Beagle. Here we jointly invert tsunami and geodetic data (InSAR, GPS, land-level changes), to derive a robust model for the co-seismic slip distribution and induced co-seismic stress changes, and compare them to past earthquakes and the pre-seismic locking distribution. We aim to assess if the Maule earthquake has filled the Darwin gap, decreasing the probability of a future shock . We find that the main slip patch is located to the north of the gap, overlapping the rupture zone of the MW 8.0 1928 earthquake, and that a secondary concentration of slip occurred to the south; the Darwin gap was only partially filled and a zone of high pre-seismic locking remains unbroken. This observation is not consistent with the assumption that distributions of seismic rupture might be correlated with pre-seismic locking, potentially allowing the anticipation of slip distributions in seismic gaps. Moreover, increased stress on this unbroken patch might have increased the probability of another major to great earthquake there in the near future.
    Description: Published
    Description: 173-177
    Description: 3.1. Fisica dei terremoti
    Description: 4.2. TTC - Modelli per la stima della pericolosità sismica a scala nazionale
    Description: JCR Journal
    Description: restricted
    Keywords: Source process ; Chile ; Tsunami ; Joint Inversion ; Seismic Gap ; 04. Solid Earth::04.06. Seismology::04.06.99. General or miscellaneous ; 04. Solid Earth::04.07. Tectonophysics::04.07.05. Stress ; 04. Solid Earth::04.07. Tectonophysics::04.07.06. Subduction related processes ; 05. General::05.01. Computational geophysics::05.01.03. Inverse methods
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 6
    Publication Date: 2017-04-04
    Description: Studies of past sea-level markers are commonly used to unveil the tectonic history and seismic behavior of subduction zones. We present new evidence on vertical motions of the Hellenic subduction zone as resulting from a suite of Late Pleistocene - Holocene shorelines in western Crete (Greece). Shoreline ages obtained by AMS radiocarbon dating of seashells, together with the reappraisal of shoreline ages from previous works, testify a long-term uplift rate of 2.5-2.7 mm/y. This average value, however, includes periods in which the vertical motions vary significantly: 2.6-3.2 mm/y subsidence rate from 42 ka to 23 ka, followed by ~7.7 mm/y sustained uplift rate from 23 ka to present. The last ~5 ky shows a relatively slower uplift rate of 3.0-3.3 mm/y, yet slightly higher than the long-term average. A preliminary tectonic model attempts at explaining these up and down motions by across-strike partitioning of fault activity in the subduction zone.
    Description: Published
    Description: 5677
    Description: 2T. Tettonica attiva
    Description: JCR Journal
    Description: restricted
    Keywords: coastal geomorphology ; tectonic rates ; paleoshorelines ; subduction ; Crete ; 04. Solid Earth::04.04. Geology::04.04.03. Geomorphology ; 04. Solid Earth::04.07. Tectonophysics::04.07.07. Tectonics
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 7
    Publication Date: 2017-04-04
    Description: The 2011 Tohoku-oki (Mw 9.1) earthquake is so far the best-observed megathrust rupture, which allowed the collection of unprecedented offshore data. The joint inversion of tsunami waveforms (DART buoys, bottom pressure sensors, coastal wave gauges, and GPS-buoys) and static geodetic data (onshore GPS, seafloor displacements obtained by a GPS/acoustic combination technique), allows us to retrieve the slip distribution on a non-planar fault. We show that the inclusion of near-source data is necessary to image the details of slip pattern (maximum slip ,48 m, up to ,35 m close to the Japan trench), which generated the large and shallow seafloor coseismic deformations and the devastating inundation of the Japanese coast. We investigate the relation between the spatial distribution of previously inferred interseismic coupling and coseismic slip and we highlight the importance of seafloor geodetic measurements to constrain the interseismic coupling, which is one of the key-elements for long-term earthquake and tsunami hazard assessment.
    Description: Published
    Description: 385
    Description: 3.1. Fisica dei terremoti
    Description: N/A or not JCR
    Description: restricted
    Keywords: Tohoku ; Subduction ; Tsunami ; Inverse problem ; 04. Solid Earth::04.06. Seismology::04.06.03. Earthquake source and dynamics ; 04. Solid Earth::04.07. Tectonophysics::04.07.06. Subduction related processes
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 8
    Publication Date: 2017-04-04
    Description: Improving lava flow hazard assessment is one of the most important and challenging fields of volcanology, and has an immediate and practical impact on society. Here, we present a methodology for the quantitative assessment of lava flow hazards based on a combination of field data, numerical simulations and probability analyses. With the extensive data available on historic eruptions of Mt. Etna, going back over 2000 years, it has been possible to construct two hazard maps, one for flank and the other for summit eruptions, allowing a quantitative analysis of the most likely future courses of lava flows. The effective use of hazard maps of Etna may help in minimizing the damage from volcanic eruptions through correct land use in densely urbanized area with a population of almost one million people. Although this study was conducted on Mt. Etna, the approach used is designed to be applicable to other volcanic areas.
    Description: This work was developed within the framework of TecnoLab, the Laboratory for Technological Advance in Volcano Geophysics organized by INGV-CT, DIEES-UNICT, and DMI-UNICT.
    Description: Published
    Description: 3493
    Description: 1V. Storia e struttura dei sistemi vulcanici
    Description: 2V. Dinamiche di unrest e scenari pre-eruttivi
    Description: 3V. Dinamiche e scenari eruttivi
    Description: 4V. Vulcani e ambiente
    Description: 6A. Monitoraggio ambientale, sicurezza e territorio
    Description: 3IT. Calcolo scientifico e sistemi informatici
    Description: JCR Journal
    Description: restricted
    Keywords: Lava flow hazard ; Etna ; 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous ; 04. Solid Earth::04.08. Volcanology::04.08.99. General or miscellaneous ; 05. General::05.01. Computational geophysics::05.01.99. General or miscellaneous ; 05. General::05.02. Data dissemination::05.02.99. General or miscellaneous ; 05. General::05.08. Risk::05.08.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 9
    Publication Date: 2017-04-04
    Description: In recent decades, geophysical investigations have detected wide magma reservoirs beneath quiescent calderas. However, the discovery of partially melted horizons inside the crust is not sufficient to put constraints on capability of reservoirs to supply cataclysmic eruptions, which strictly depends on the chemical-physical properties of magmas (composition, viscosity, gas content etc.), and thus on their differentiation histories. In this study, by using geochemical, isotopic and textural records of rocks erupted from the high-risk Campi Flegrei caldera, we show that the alkaline magmas have evolved toward a critical state of explosive behaviour over a time span shorter than the repose time of most volcanic systems and that these magmas have risen rapidly toward the surface. Moreover, similar results on the depth and timescale of magma storage were previously obtained for the neighbouring Somma-Vesuvius volcano. This consistency suggests that there might be a unique long-lived magma pool beneath the whole Neapolitan area.
    Description: Published
    Description: article 712
    Description: 2.3. TTC - Laboratori di chimica e fisica delle rocce
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: 3.6. Fisica del vulcanismo
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: N/A or not JCR
    Description: open
    Keywords: magma ; campi flegrei caldera ; 04. Solid Earth::04.04. Geology::04.04.05. Mineralogy and petrology ; 04. Solid Earth::04.08. Volcanology::04.08.03. Magmas ; 04. Solid Earth::04.08. Volcanology::04.08.05. Volcanic rocks ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 10
    Publication Date: 2019-07-17
    Description: The mid-Piacenzian climate represents the most geologically recent interval of long-term average warmth relative to the last million years, and shares similarities with the climate projected for the end of the 21st century. As such, it represents a natural experiment from which we can gain insight into potential climate change impacts, enabling more informed policy decisions for mitigation and adaptation. Here, we present the first systematic comparison of Pliocene sea surface temperature (SST) between an ensemble of eight climate model simulations produced as part of PlioMIP (Pliocene Model Intercomparison Project) with the PRISM (Pliocene Research, Interpretation and Synoptic Mapping) Project mean annual SST field. Our results highlight key regional and dynamic situations where there is discord between the palaeoenvironmental reconstruction and the climate model simulations. These differences have led to improved strategies for both experimental design and temporal refinement of the palaeoenvironmental reconstruction.
    Repository Name: EPIC Alfred Wegener Institut
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  • 11
    Publication Date: 2019-07-17
    Description: Comparing simulations of key warm periods in Earth history with contemporaneous geological proxy data is a useful approach for evaluating the ability of climate models to simulate warm, high-CO2 climates that are unprecedented in the more recent past. Here we use a global data set of confidence-assessed, proxy-based temperature estimates and biome reconstructions to assess the ability of eight models to simulate warm terrestrial climates of the Pliocene epoch. The Late Pliocene, 3.6–2.6 million years ago, is an accessible geological interval to understand climate processes of a warmer world. We show that model-predicted surface air temperatures reveal a substantial cold bias in the Northern Hemisphere. Particularly strong data–model mismatches in mean annual temperatures (up to 18 °C) exist in northern Russia. Our model sensitivity tests identify insufficient temporal constraints hampering the accurate configuration of model boundary conditions as an important factor impacting on data–model discrepancies. We conclude that to allow a more robust evaluation of the ability of present climate models to predict warm climates, future Pliocene data–model comparison studies should focus on orbitally defined time slices.
    Repository Name: EPIC Alfred Wegener Institut
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  • 12
    Publication Date: 2017-10-18
    Description: Efforts to extract a Greenland ice core with a complete record of the Eemian interglacial (130,000 to 115,000 years ago) have until now been unsuccessful. The response of the Greenland ice sheet to the warmer-than-present climate of the Eemian has thus remained unclear. Here we present the new North Greenland Eemian Ice Drilling (‘NEEM’) ice core and show only a modest ice-sheet response to the strong warming in the early Eemian. We reconstructed the Eemian record from folded ice using globally homogeneous parameters known from dated Greenland and Antarctic ice-core records. On the basis of water stable isotopes, NEEM surface temperatures after the onset of the Eemian (126,000 years ago) peaked at 8 ± 4 degrees Celsius above the mean of the past millennium, followed by a gradual cooling that was probably driven by the decreasing summer insolation. Between 128,000 and 122,000 years ago, the thickness of the northwest Greenland ice sheet decreased by 400 ± 250 metres, reaching surface elevations 122,000 years ago of 130 ± 300 metres lower than the present. Extensive surface melt occurred at the NEEM site during the Eemian, a phenomenon witnessed when melt layers formed again at NEEM during the exceptional heat of July 2012. With additional warming, surface melt might become more common in the future.
    Repository Name: EPIC Alfred Wegener Institut
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  • 13
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    Nature Publishing Group
    In:  EPIC3Nature Geoscience, Nature Publishing Group, 7(2), pp. 113-116, ISSN: 1752-0894
    Publication Date: 2018-08-10
    Description: The Antarctic Circumpolar Current is key to the mixing and ventilation of the world’s oceans1, 2, 3, 4, 5. This current flows from west to east between about 45° and 70° S (refs 1, 2, 3) connecting the Atlantic, Pacific and Indian oceans, and is driven by westerly winds and buoyancy forcing. High levels of productivity in the current regulate atmospheric CO2 concentrations6. Reconstructions of the current during the last glacial period suggest that flow speeds were faster7 or similar8 to present, and it is uncertain whether the strength and position of the westerly winds changed9, 10, 11. Here we reconstruct Antarctic Circumpolar Current bottom speeds through the constricting Drake Passage and Scotia Sea during the Last Glacial Maximum and Holocene based on the mean grain size of sortable silt from a suite of sediment cores. We find essentially no change in bottom flow speeds through the region, and, given that the momentum imparted by winds, and modulated by sea-ice cover, is balanced by the interaction of these flows with the seabed, this argues against substantial changes in wind stress. However, glacial flow speeds in the sea-ice zone12 south of 56° S were significantly slower than present, whereas flow in the north was faster, but not significantly so. We suggest that slower flow over the rough topography south of 56° S may have reduced diapycnal mixing in this region during the last glacial period, possibly reducing the diapycnal contribution to the Southern Ocean overturning circulation.
    Repository Name: EPIC Alfred Wegener Institut
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  • 14
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    Nature Publishing Group
    In:  EPIC3Scientific Reports, Nature Publishing Group, 4(4119), ISSN: 2045-2322
    Publication Date: 2019-07-17
    Description: Complex network approaches have recently been applied to continuous spatial dynamical systems, like climate, successfully uncovering the system's interaction structure. However the relationship between the underlying atmospheric or oceanic flow's dynamics and the estimated network measures have remained largely unclear. We bridge this crucial gap in a bottom-up approach and define a continuous analytical analogue of Pearson correlation networks for advection-diffusion dynamics on a background flow. Analysing complex networks of prototypical flows and from time series data of the equatorial Pacific, we find that our analytical model reproduces the most salient features of these networks and thus provides a general foundation of climate networks. The relationships we obtain between velocity field and network measures show that line-like structures of high betweenness mark transition zones in the flow rather than, as previously thought, the propagation of dynamical information.
    Repository Name: EPIC Alfred Wegener Institut
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  • 15
    Publication Date: 2022-05-25
    Description: © Macmillan Publishers Limited, 2010. This article is distributed under the terms of the Creative Commons Attribution-NonCommercial-No Derivative Works 3.0 Unported License. The definitive version was published in Nature Communications 1 (2010): 49, doi:10.1038/ncomms1045.
    Description: Motor innervation to the tetrapod forelimb and fish pectoral fin is assumed to share a conserved spinal cord origin, despite major structural and functional innovations of the appendage during the vertebrate water-to-land transition. In this paper, we present anatomical and embryological evidence showing that pectoral motoneurons also originate in the hindbrain among ray-finned fish. New and previous data for lobe-finned fish, a group that includes tetrapods, and more basal cartilaginous fish showed pectoral innervation that was consistent with a hindbrain-spinal origin of motoneurons. Together, these findings support a hindbrain–spinal phenotype as the ancestral vertebrate condition that originated as a postural adaptation for pectoral control of head orientation. A phylogenetic analysis indicated that Hox gene modules were shared in fish and tetrapod pectoral systems. We propose that evolutionary shifts in Hox gene expression along the body axis provided a transcriptional mechanism allowing eventual decoupling of pectoral motoneurons from the hindbrain much like their target appendage gained independence from the head.
    Description: Th is work was supported by the National Institutes of Health and National Science Foundation.
    Repository Name: Woods Hole Open Access Server
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  • 16
    Publication Date: 2022-05-25
    Description: © Macmillan Publishers Limited, 2012. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature Communications 3 (2012): 669, doi:10.1038/ncomms1673.
    Description: Na+/K+ pumps move net charge through the cell membrane by mediating unequal exchange of intracellular Na+ and extracellular K+. Most charge moves during transitions that release Na+ to the cell exterior. When pumps are constrained to bind and release only Na+, a membrane voltage-step redistributes pumps among conformations with zero, one, two or three bound Na+, thereby transiently generating current. By applying rapid voltage steps to squid giant axons, we previously identified three components in such transient currents, with distinct relaxation speeds: fast (which nearly parallels the voltage-jump time course), medium speed (τm=0.2–0.5 ms) and slow (τs=1–10 ms). Here we show that these three components are tightly correlated, both in their magnitudes and in the time courses of their changes. The correlations reveal the dynamics of the conformational rearrangements that release three Na+ to the exterior (or sequester them into their binding sites) one at a time, in an obligatorily sequential manner.
    Description: This research was directly supported by the Intramural Research Program of the National Institutes of Health (NIH), NINDS, grants NIH HL36783 to D.C.G., and NIH U54GM087519 and R01GM030376 to F.B.
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  • 17
    Publication Date: 2022-05-25
    Description: © The Author(s), 2012. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Scientific Reports 2 (2012): 582, doi:10.1038/srep00582.
    Description: Over the last century humans have altered the export of fluvial materials leading to significant changes in morphology, chemistry, and biology of the coastal ocean. Here we present sedimentary, paleoenvironmental and paleogenetic evidence to show that the Black Sea, a nearly enclosed marine basin, was affected by land use long before the changes of the Industrial Era. Although watershed hydroclimate was spatially and temporally variable over the last ~3000 years, surface salinity dropped systematically in the Black Sea. Sediment loads delivered by Danube River, the main tributary of the Black Sea, significantly increased as land use intensified in the last two millennia, which led to a rapid expansion of its delta. Lastly, proliferation of diatoms and dinoflagellates over the last five to six centuries, when intensive deforestation occurred in Eastern Europe, points to an anthropogenic pulse of river-borne nutrients that radically transformed the food web structure in the Black Sea.
    Description: This study was supported by grants OISE 0637108, EAR 0952146, OCE 0602423 and OCE 0825020 from the National Science Foundation and grants from the Woods Hole Oceanographic Institution.
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  • 18
    Publication Date: 2022-05-25
    Description: © The Author(s), 2013. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Scientific Reports 3 (2013): 2802, doi:10.1038/srep02802.
    Description: It is usually assumed that metabolic constraints restrict deep-sea corals to cold-water habitats, with ‘deep-sea’ and ‘cold-water’ corals often used as synonymous. Here we report on the first measurements of biological characters of deep-sea corals from the central Red Sea, where they occur at temperatures exceeding 20°C in highly oligotrophic and oxygen-limited waters. Low respiration rates, low calcification rates, and minimized tissue cover indicate that a reduced metabolism is one of the key adaptations to prevailing environmental conditions. We investigated four sites and encountered six species of which at least two appear to be undescribed. One species is previously reported from the Red Sea but occurs in deep cold waters outside the Red Sea raising interesting questions about presumed environmental constraints for other deep-sea corals. Our findings suggest that the present understanding of deep-sea coral persistence and resilience needs to be revisited.
    Keywords: Ecosystem ecology ; Biodiversity ; Genetics ; Metabolism
    Repository Name: Woods Hole Open Access Server
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  • 19
    Publication Date: 2022-05-25
    Description: © Macmillan Publishers Limited, 2011. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature Communications 2 (2011): 293, doi:10.1038/ncomms1297.
    Description: The relative importance of north–south migrations of the intertropical convergence zone (ITCZ) versus El Niño-Southern Oscillation and its associated Pacific Walker Circulation (PWC) variability for past hydrological change in the western tropical Pacific is unclear. Here we show that north–south ITCZ migration was not the only mechanism of tropical Pacific hydrologic variability during the last millennium, and that PWC variability profoundly influenced tropical Pacific hydrology. We present hydrological reconstructions from Cattle Pond, Dongdao Island of the South China Sea, where multi-decadal rainfall and downcore grain size variations are correlated to the Southern Oscillation Index during the instrumental era. Our downcore grain size reconstructions indicate that this site received less precipitation during relatively warm periods, AD 1000–1400 and AD 1850–2000, compared with the cool period (AD 1400–1850). Including our new reconstructions in a synthesis of tropical Pacific records results in a spatial pattern of hydrologic variability that implicates the PWC.
    Description: This work was supported by the Natural Science Foundation of China (NSFC) (40730107) and the Major State Basic Research Development Program of China (973 Program) (No.2010CB428902). DWO acknowledges support from the US NSF.
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  • 20
    Publication Date: 2022-05-25
    Description: © Macmillan Publishers Limited, 2012. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature Communications 3 (2012): 620, doi:10.1038/ncomms1636.
    Description: The Mid-Cayman spreading centre is an ultraslow-spreading ridge in the Caribbean Sea. Its extreme depth and geographic isolation from other mid-ocean ridges offer insights into the effects of pressure on hydrothermal venting, and the biogeography of vent fauna. Here we report the discovery of two hydrothermal vent fields on the Mid-Cayman spreading centre. The Von Damm Vent Field is located on the upper slopes of an oceanic core complex at a depth of 2,300 m. High-temperature venting in this off-axis setting suggests that the global incidence of vent fields may be underestimated. At a depth of 4,960 m on the Mid-Cayman spreading centre axis, the Beebe Vent Field emits copper-enriched fluids and a buoyant plume that rises 1,100 m, consistent with 〉 400 °C venting from the world’s deepest known hydrothermal system. At both sites, a new morphospecies of alvinocaridid shrimp dominates faunal assemblages, which exhibit similarities to those of Mid-Atlantic vents.
    Description: This work is supported by a UK NERC award (NE/F017774/1 & NE/F017758/1) to J.T.C., D.P.C., B.J.M., K.S. and P.A.T., Royal Society Travel Grant 2009/R3 to R.C.S., A.M. is supported by SENSEnet, a Marie Curie Initial Training Network (ITN) funded by the European Commission Seventh Framework Programme, Contract Number PITN-GA-2009-237868 and a NASA ASTEP Grant NNX09AB75G to C.R.G. and C.L.V.D., which are gratefully acknowledged.
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  • 21
    Publication Date: 2022-05-25
    Description: © The Author(s), 2012. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature Genetics 44 (2012): 121-126, doi:10.1038/ng.1054.
    Description: To make full use of research data, the bioscience community needs to adopt technologies and reward mechanisms that support interoperability and promote the growth of an open 'data commoning' culture. Here we describe the prerequisites for data commoning and present an established and growing ecosystem of solutions using the shared 'Investigation-Study-Assay' framework to support that vision.
    Description: The authors also acknowledge the following funding sources in particular: UK Biotechnology and Biological Sciences Research Council (BBSRC) BB/I000771/1 to S.-A.S. and A.T.; UK BBSRC BB/I025840/1 to S.-A.S.; UK BBSRC BB/I000917/1 to D.F.; EU CarcinoGENOMICS (PL037712) to J.K.; US National Institutes of Health (NIH) 1RC2CA148222-01 to W.H. and the HSCI; US MIRADA LTERS DEB-0717390 and Alfred P. Sloan Foundation (ICoMM) to L.A.-Z.; Swiss Federal Government through the Federal Office of Education and Science (FOES) to L.B. and I.X.; EU Innovative Medicines Initiative (IMI) Open PHACTS 115191 to C.T.E.; US Department of Energy (DOE) DE-AC02- 06CH11357 and Arthur P. Sloan Foundation (2011- 6-05) to J.G.; UK BBSRC SysMO-DB2 BB/I004637/1 and BBG0102181 to C.G.; UK BBSRC BB/I000933/1 to C.S. and J.L.G.; UK MRC UD99999906 to J.L.G.; US NIH R21 MH087336 (National Institute of Mental Health) and R00 GM079953 (National Institute of General Medical Science) to A.L.; NIH U54 HG006097 to J.C. and C.E.S.; Australian government through the National Collaborative Research Infrastructure Strategy (NCRIS); BIRN U24-RR025736 and BioScholar RO1-GM083871 to G.B. and the 2009 Super Science initiative to C.A.S.
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  • 22
    Publication Date: 2022-05-25
    Description: © The Author(s), 2012. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature Communications 3 (2012): 803, doi:10.1038/ncomms1811.
    Description: Ventilation and mixing of oceanic gyres is important to ocean-atmosphere heat and gas transfer, and to mid-latitude nutrient supply. The rates of mode water formation are believed to impact climate and carbon exchange between the surface and mid-depth water over decadal periods. Here, a record of 14C/12C (1780–1940), which is a proxy for vertical ocean mixing, from an annually banded coral from Bermuda, shows limited inter-annual variability and a substantial Suess Effect (the decrease in 14C/12C since 1900). The Sargasso Sea mixing rates between the surface and thermocline varied minimally over the past two centuries, despite changes to mean-hemispheric climate, including the Little Ice Age and variability in the North Atlantic Oscillation. This result indicates that regional formation rates of sub-tropical mode water are stable over decades, and that anthropogenic carbon absorbed by the ocean does not return to the surface at a variable rate.
    Description: Funding provided by NSF’s Chemical Oceanography Program OCE - 0526463 and 0961980 and the Stephen Hui Trust Fund.
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  • 23
    Publication Date: 2022-05-25
    Description: © The Author(s), 2012. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Scientific Reports 2 (2012): 553, doi:10.1038/srep00553.
    Description: Sea surface temperature imagery, satellite altimetry, and a surface drifter track reveal an unusual tilt in the Gulf Stream path that brought the Gulf Stream to 39.9°N near the Middle Atlantic Bight shelfbreak—200 km north of its mean position—in October 2011, while a large meander brought Gulf Stream water within 12 km of the shelfbreak in December 2011. Near-bottom temperature measurements from lobster traps on the outer continental shelf south of New England show distinct warming events (temperature increases exceeding 6°C) in November and December 2011. Moored profiler measurements over the continental slope show high salinities and temperatures, suggesting that the warm water on the continental shelf originated in the Gulf Stream. The combination of unusual water properties over the shelf and slope in late fall and the subsequent mild winter may affect seasonal stratification and habitat selection for marine life over the continental shelf in 2012.
    Description: Profiler data were made available by the Ocean Observatory Initiative (OOI) during the construction phase of the project. The OOI is funded by the National Science Foundation and managed by the Consortium for Ocean Leadership. Drifter data were provided by Tim Shaw and David Calhoun at Cape Fear Community College.GGGwas supported by NSFGrant OCE-1129125. RET was supported by the Postdoctoral Scholar Program at the Woods Hole Oceanographic Institution, with funding provided by the Cooperative Institute for the North Atlantic Region. MA was supported by the Penzance Endowed Fund in Support of Assistant Scientists.
    Keywords: Ecology ; Climate change ; Atmospheric science ; Oceanography
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  • 24
    Publication Date: 2022-05-25
    Description: © The Author(s), 2013. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature 496 (2013): 311-316, doi:10.1038/nature12027.
    Description: The discovery of a living coelacanth specimen in 1938 was remarkable, as this lineage of lobe-finned fish was thought to have become extinct 70 million years ago. The modern coelacanth looks remarkably similar to many of its ancient relatives, and its evolutionary proximity to our own fish ancestors provides a glimpse of the fish that first walked on land. Here we report the genome sequence of the African coelacanth, Latimeria chalumnae. Through a phylogenomic analysis, we conclude that the lungfish, and not the coelacanth, is the closest living relative of tetrapods. Coelacanth protein-coding genes are significantly more slowly evolving than those of tetrapods, unlike other genomic features. Analyses of changes in genes and regulatory elements during the vertebrate adaptation to land highlight genes involved in immunity, nitrogen excretion and the development of fins, tail, ear, eye, brain and olfaction. Functional assays of enhancers involved in the fin-to-limb transition and in the emergence of extra-embryonic tissues show the importance of the coelacanth genome as a blueprint for understanding tetrapod evolution.
    Description: cquisition and storage of Latimeria chalumnae samples was supported by grants from the African Coelacanth Ecosystem Programme of the South African National Department of Science and Technology. Generation of the Latimeria chalumnae and Protopterus annectens sequences by the Broad Institute of the Massachusetts Institute of Technology (MIT) and Harvard University was supported by grants from the National Human Genome Research Institute (NHGRI). K.L.T. is the recipient of a EURYI award from the European Science Foundation.
    Keywords: Genome evolution ; Comparative genomics
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  • 25
    Publication Date: 2022-05-25
    Description: © The Author(s), 2013. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature 499 (2013): 209–213, doi:10.1038/nature12221.
    Description: Coccolithophores have influenced the global climate for over 200 million years1. These marine phytoplankton can account for 20 per cent of total carbon fixation in some systems2. They form blooms that can occupy hundreds of thousands of square kilometres and are distinguished by their elegantly sculpted calcium carbonate exoskeletons (coccoliths), rendering them visible from space3. Although coccolithophores export carbon in the form of organic matter and calcite to the sea floor, they also release CO2 in the calcification process. Hence, they have a complex influence on the carbon cycle, driving either CO2 production or uptake, sequestration and export to the deep ocean4. Here we report the first haptophyte reference genome, from the coccolithophore Emiliania huxleyi strain CCMP1516, and sequences from 13 additional isolates. Our analyses reveal a pan genome (core genes plus genes distributed variably between strains) probably supported by an atypical complement of repetitive sequence in the genome. Comparisons across strains demonstrate that E. huxleyi, which has long been considered a single species, harbours extensive genome variability reflected in different metabolic repertoires. Genome variability within this species complex seems to underpin its capacity both to thrive in habitats ranging from the equator to the subarctic and to form large-scale episodic blooms under a wide variety of environmental conditions.
    Description: Joint Genome Institute (JGI) contributions were supported by the Office of Science of the US Department of Energy (DOE) under contract no. 7DE-AC02-05CH11231.
    Keywords: Genetic variation
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  • 26
    Publication Date: 2022-05-25
    Description: © The Author(s), 2013. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature 499 (2013): 431–437, doi:10.1038/nature12352.
    Description: Genome sequencing enhances our understanding of the biological world by providing blueprints for the evolutionary and functional diversity that shapes the biosphere. However, microbial genomes that are currently available are of limited phylogenetic breadth, owing to our historical inability to cultivate most microorganisms in the laboratory. We apply single-cell genomics to target and sequence 201 uncultivated archaeal and bacterial cells from nine diverse habitats belonging to 29 major mostly uncharted branches of the tree of life, so-called ‘microbial dark matter’. With this additional genomic information, we are able to resolve many intra- and inter-phylum-level relationships and to propose two new superphyla. We uncover unexpected metabolic features that extend our understanding of biology and challenge established boundaries between the three domains of life. These include a novel amino acid use for the opal stop codon, an archaeal-type purine synthesis in Bacteria and complete sigma factors in Archaea similar to those in Bacteria. The single-cell genomes also served to phylogenetically anchor up to 20% of metagenomic reads in some habitats, facilitating organism-level interpretation of ecosystem function. This study greatly expands the genomic representation of the tree of life and provides a systematic step towards a better understanding of biological evolution on our planet.
    Description: The work conducted by the US Department of Energy Joint Genome Institute is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. We also thank the CeBiTec Bioinformatics Resource Facility, which is supported byBMBF grant 031A190. B.P.H. and J.A.D. were supported by the NASA Exobiology grant EXO-NNX11AR78GandNSFOISE 096842and B.P.H. by a generous contribution from G. Fullmer through the UNLV Foundation. S.M.S was supported by NSF grants OCE-0452333 and OCE-1136727, and the WHOI’s Andrew W. Mellon Fund for Innovative Research; and S.J.H. by the Canadian Foundation for Innovation, the British Columbia Knowledge Development Fund, the National Sciences and Engineering Research Council (NSERC) of Canada and the TULA foundation funded Centre for Microbial Diversity and Evolution (CMDE), and the Canadian Institute for Advanced Research (CIFAR). R.S. was supported by NSF grants DEB-841933, EF-826924, OCE-1232982, OCE-821374 and OCE-1136488, and the Deep Life I grant by the Alfred P. Sloan Foundation. P.H.was supported by a Discovery Outstanding Researcher Award (DORA) from the Australian Research Council, grant DP120103498.
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  • 27
    Publication Date: 2022-05-25
    Description: © The Author(s), 2014]. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Scientific Reports 4 (2014): 6648, doi:10.1038/srep06648.
    Description: Sediments from Tibetan lakes in NW China are potentially sensitive recorders of climate change and its impact on ecosystem function. However, the important plankton members in many Tibetan Lakes do not make and leave microscopically diagnostic features in the sedimentary record. Here we established a taxon-specific molecular approach to specifically identify and quantify sedimentary ancient DNA (sedaDNA) of non-fossilized planktonic organisms preserved in a 5-m sediment core from Kusai Lake spanning the last 3100 years. The reliability of the approach was validated with multiple independent genetic markers. Parallel analyses of the geochemistry of the core and paleo-climate proxies revealed that Monsoon strength-driven changes in nutrient availability, temperature, and salinity as well as orbitally-driven changes in light intensity were all responsible for the observed temporal changes in the abundance of two dominant phytoplankton groups in the lake, Synechococcus (cyanobacteria) and Isochrysis (haptophyte algae). Collectively our data show that global and regional climatic events exhibited a strong influence on the paleoecology of phototrophic plankton in Kusai Lake.
    Description: This research was supported by grants from the National Natural Science Foundation of China (Grant Nos. 41030211 and 41302022), the National Basic Research Program of China (Grant No. 2011CB808800), and State Key Laboratory of Biogeology and Environmental Geology, China University of Geosciences (Nos GBL11410 and GBL11201).
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  • 28
    Publication Date: 2022-05-25
    Description: © International Society for Microbial Ecology, 2011. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in The ISME Journal 5 (2011): 1748–1758, doi:10.1038/ismej.2011.48.
    Description: A novel hydrothermal field has been discovered at the base of Lōihi Seamount, Hawaii, at 5000 mbsl. Geochemical analyses demonstrate that ‘FeMO Deep’, while only 0.2 °C above ambient seawater temperature, derives from a distal, ultra-diffuse hydrothermal source. FeMO Deep is expressed as regional seafloor seepage of gelatinous iron- and silica-rich deposits, pooling between and over basalt pillows, in places over a meter thick. The system is capped by mm to cm thick hydrothermally derived iron-oxyhydroxide- and manganese-oxide-layered crusts. We use molecular analyses (16S rDNA-based) of extant communities combined with fluorescent in situ hybridizations to demonstrate that FeMO Deep deposits contain living iron-oxidizing Zetaproteobacteria related to the recently isolated strain Mariprofundus ferroxydans. Bioenergetic calculations, based on in-situ electrochemical measurements and cell counts, indicate that reactions between iron and oxygen are important in supporting chemosynthesis in the mats, which we infer forms a trophic base of the mat ecosystem. We suggest that the biogenic FeMO Deep hydrothermal deposit represents a modern analog for one class of geological iron deposits known as ‘umbers’ (for example, Troodos ophilolites, Cyprus) because of striking similarities in size, setting and internal structures.
    Description: Funding has been provided by the NSF Microbial Observatories Program (KJE, DE, BT, HS and CM), by the Gordon and Betty Moore Foundation (KJE), the College of Letters, Arts, and Sciences at the University of Southern California (KJE) and by the NASA Astrobiology Institute (KJE, DE).
    Keywords: Geomicrobiology ; Deep biosphere ; Hydrothermal ; Iron bacteria ; Iron oxidation
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  • 29
    Publication Date: 2022-05-25
    Description: Author Posting. © The Authors, 2012. This article is posted here by permission of Nature Publishing Group. The definitive version was published in Nature 486 (2012): 207-214, doi:10.1038/nature11234.
    Description: Studies of the human microbiome have revealed that even healthy individuals differ remarkably in the microbes that occupy habitats such as the gut, skin and vagina. Much of this diversity remains unexplained, although diet, environment, host genetics and early microbial exposure have all been implicated. Accordingly, to characterize the ecology of human-associated microbial communities, the Human Microbiome Project has analysed the largest cohort and set of distinct, clinically relevant body habitats so far. We found the diversity and abundance of each habitat’s signature microbes to vary widely even among healthy subjects, with strong niche specialization both within and among individuals. The project encountered an estimated 81–99% of the genera, enzyme families and community configurations occupied by the healthy Western microbiome. Metagenomic carriage of metabolic pathways was stable among individuals despite variation in community structure, and ethnic/racial background proved to be one of the strongest associations of both pathways and microbes with clinical metadata. These results thus delineate the range of structural and functional configurations normal in the microbial communities of a healthy population, enabling future characterization of the epidemiology, ecology and translational applications of the human microbiome.
    Description: This research was supported in part by National Institutes of Health grants U54HG004969 to B.W.B.; U54HG003273 to R.A.G.; U54HG004973 to R.A.G., S.K.H. and J.F.P.; U54HG003067 to E.S.Lander; U54AI084844 to K.E.N.; N01AI30071 to R.L.Strausberg; U54HG004968 to G.M.W.; U01HG004866 to O.R.W.; U54HG003079 to R.K.W.; R01HG005969 to C.H.; R01HG004872 to R.K.; R01HG004885 to M.P.; R01HG005975 to P.D.S.; R01HG004908 to Y.Y.; R01HG004900 to M.K.Cho and P. Sankar; R01HG005171 to D.E.H.; R01HG004853 to A.L.M.; R01HG004856 to R.R.; R01HG004877 to R.R.S. and R.F.; R01HG005172 to P. Spicer.; R01HG004857 to M.P.; R01HG004906 to T.M.S.; R21HG005811 to E.A.V.; M.J.B. was supported by UH2AR057506; G.A.B. was supported by UH2AI083263 and UH3AI083263 (G.A.B., C. N. Cornelissen, L. K. Eaves and J. F. Strauss); S.M.H. was supported by UH3DK083993 (V. B. Young, E. B. Chang, F. Meyer, T. M. S., M. L. Sogin, J. M. Tiedje); K.P.R. was supported by UH2DK083990 (J. V.); J.A.S. and H.H.K. were supported by UH2AR057504 and UH3AR057504 (J.A.S.); DP2OD001500 to K.M.A.; N01HG62088 to the Coriell Institute for Medical Research; U01DE016937 to F.E.D.; S.K.H. was supported by RC1DE0202098 and R01DE021574 (S.K.H. and H. Li); J.I. was supported by R21CA139193 (J.I. and D. S. Michaud); K.P.L. was supported by P30DE020751 (D. J. Smith); Army Research Office grant W911NF-11-1-0473 to C.H.; National Science Foundation grants NSF DBI-1053486 to C.H. and NSF IIS-0812111 to M.P.; The Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231 for P.S. C.; LANL Laboratory-Directed Research and Development grant 20100034DR and the US Defense Threat Reduction Agency grants B104153I and B084531I to P.S.C.; Research Foundation - Flanders (FWO) grant to K.F. and J.Raes; R.K. is an HHMI Early Career Scientist; Gordon&BettyMoore Foundation funding and institutional funding fromthe J. David Gladstone Institutes to K.S.P.; A.M.S. was supported by fellowships provided by the Rackham Graduate School and the NIH Molecular Mechanisms in Microbial Pathogenesis Training Grant T32AI007528; a Crohn’s and Colitis Foundation of Canada Grant in Aid of Research to E.A.V.; 2010 IBM Faculty Award to K.C.W.; analysis of the HMPdata was performed using National Energy Research Scientific Computing resources, the BluBioU Computational Resource at Rice University.
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  • 30
    Publication Date: 2022-05-25
    Description: © International Society for Microbial Ecology, 2011. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in The ISME Journal 5 (2011): 1565–1567, doi:10.1038/ismej.2011.39.
    Description: Interest in sampling of diverse environments, combined with advances in high-throughput sequencing, vastly accelerates the pace at which new genomes and metagenomes are generated. For example, as of January 2011, 12 500 user-generated metagenomes have been submitted to the public MG-RAST Annotation server (http://metagenomics. nmpdr.org; Meyer et al., 2008), 490% of which were produced using high-throughput sequencing methodologies. We have entered into an era of ‘mega-sequencing projects’ that include the Genomic Encyclopaedia of Bacteria and Archaea project (http://www.jgi.doe.gov/programs/GEBA), the Microbial Earth Project (http://genome.jgi-psf. org/programs/bacteria-archaea/MEP/index.jsf), the Human Microbiome Project (http://nihroadmap.nih. gov/hmp), the Metagenomics of the Human Intestinal Tract consortium (http://www.metahit.eu), the Terragenome Initiative (http://www.terragenome. org), the Tara Oceans Expedition (http://oceans. taraexpeditions.org), the National Ecological Observatory Network (NEON-http://www.neoninc.org), the International Census of Marine Microbes (ICoMM-http://icomm.mbl.edu), Microbial Inventory Research Across Diverse Aquatic Long-Term Ecological Research Sites (http://amarallab.mbl. edu/mirada/mirada.html), the Earth Microbiome Project (http://www.earthmicrobiome.org) and other funded and unfunded projects, with many more visionary projects on the horizon.
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  • 31
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    Nature Publishing Group
    In:  EPIC3Nature Communications, Nature Publishing Group, 5, pp. 5520, ISSN: 2041-1723
    Publication Date: 2016-06-13
    Description: One of the most abrupt and yet unexplained past rises in atmospheric CO2 (〉10 p.p.m.v. in two centuries) occurred in quasi-synchrony with abrupt northern hemispheric warming into the Bølling/Allerød, ~14,600 years ago. Here we use a U/Th-dated record of atmospheric Δ14C from Tahiti corals to provide an independent and precise age control for this CO2 rise. We also use model simulations to show that the release of old (nearly 14C-free) carbon can explain these changes in CO2 and Δ14C. The Δ14C record provides an independent constraint on the amount of carbon released (~125 Pg C). We suggest, in line with observations of atmospheric CH4 and terrigenous biomarkers, that thawing permafrost in high northern latitudes could have been the source of carbon, possibly with contribution from flooding of the Siberian continental shelf during meltwater pulse 1A. Our findings highlight the potential of the permafrost carbon reservoir to modulate abrupt climate changes via greenhouse-gas feedbacks.
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  • 32
    Publication Date: 2014-12-17
    Description: Interior Antarctica is among the most remote places on Earth and was thought to be beyond the reach of human impacts when Amundsen and Scott raced to the South Pole in 1911. Here we show detailed measurements from an extensive array of 16 ice cores quantifying substantial toxic heavy metal lead pollution at South Pole and throughout Antarctica by 1889 – beating polar explorers by more than 22 years. Unlike the Arctic where lead pollution peaked in the 1970s, lead pollution in Antarctica was as high in the early 20th century as at any time since industrialization. The similar timing and magnitude of changes in lead deposition across Antarctica, as well as the characteristic isotopic signature of Broken Hill lead found throughout the continent, suggest that this single emission source in southern Australia was responsible for the introduction of lead pollution into Antarctica at the end of the 19th century and remains a significant source today. An estimated 660 t of industrial lead have been deposited over Antarctica during the past 130 years as a result of mid-latitude industrial emissions, with regional-to-global scale circulation likely modulating aerosol concentrations. Despite abatement efforts, significant lead pollution in Antarctica persists into the 21st century.
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  • 33
    Publication Date: 2022-05-26
    Description: © The Author(s), 2013. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature 500 (2013): 453–457, doi:10.1038/nature12326.
    Description: Loss of sexual reproduction is considered an evolutionary dead end for metazoans, but bdelloid rotifers challenge this view as they appear to have persisted asexually for millions of years1. Neither male sex organs nor meiosis have ever been observed in these microscopic animals: oocytes are formed through mitotic divisions, with no reduction of chromosome number and no indication of chromosome pairing2. However, current evidence does not exclude that they may engage in sex on rare, cryptic occasions. Here we report the genome of a bdelloid rotifer, Adineta vaga (Davis, 1873)3, and show that its structure is incompatible with conventional meiosis. At gene scale, the genome of A. vaga is tetraploid and comprises both anciently duplicated segments and less divergent allelic regions. However, in contrast to sexual species, the allelic regions are rearranged and sometimes even found on the same chromosome. Such structure does not allow meiotic pairing; instead, we find abundant evidence of gene conversion, which may limit the accumulation of deleterious mutations in the absence of meiosis. Gene families involved in resistance to oxidation, carbohydrate metabolism and defence against transposons are significantly expanded, which may explain why transposable elements cover only 3% of the assembled sequence. Furthermore, 8% of the genes are likely to be of non-metazoan origin and were probably acquired horizontally. This apparent convergence between bdelloids and prokaryotes sheds new light on the evolutionary significance of sex.
    Description: This work was supported by Genoscope-CES (where most of the sequencing was performed), by US National Science Foundation grants MCB-0821956 and MCB-1121334 to I.A., by German Research Foundation grant HA 5163/2-1 to O.H., by grant 11.G34.31.0008 fromthe Ministry of Education and Science of the Russian Federation to A.S.K., by grant NSF CAREER number 0644282 to M.K., by US National Science Foundation grant MCB-0923676 to D.B.M.W., by FRFC grant 2.4.655.09.F from the Belgian Fonds National de la Recherche Scientifique (FNRS) and a start-up grant from the University of Namur to K.V.D.; J.F.F. and K.V.D. thank also J.-P. Descy (University of Namur) for funding support.
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  • 34
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature Communications 5 (2014): 4342, doi:10.1038/ncomms5342.
    Description: Three-dimensional (3D) bioimaging, visualization and data analysis are in strong need of powerful 3D exploration techniques. We develop virtual finger (VF) to generate 3D curves, points and regions-of-interest in the 3D space of a volumetric image with a single finger operation, such as a computer mouse stroke, or click or zoom from the 2D-projection plane of an image as visualized with a computer. VF provides efficient methods for acquisition, visualization and analysis of 3D images for roundworm, fruitfly, dragonfly, mouse, rat and human. Specifically, VF enables instant 3D optical zoom-in imaging, 3D free-form optical microsurgery, and 3D visualization and annotation of terabytes of whole-brain image volumes. VF also leads to orders of magnitude better efficiency of automated 3D reconstruction of neurons and similar biostructures over our previous systems. We use VF to generate from images of 1,107 Drosophila GAL4 lines a projectome of a Drosophila brain.
    Description: This work was mainly supported by Howard Hughes Medical Institute. H.P. is currently supported by the Allen Institute for Brain Science. R.W.T. and A.M. were supported by a grant MH071739 (MERIT).
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  • 35
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature Communications 5 (2014): 5385, doi:10.1038/ncomms6385.
    Description: Submarine mud volcanoes are important sources of methane to the water column. However, the temporal variability of their mud and methane emissions is unknown. Methane emissions were previously proposed to result from a dynamic equilibrium between upward migration and consumption at the seabed by methane-consuming microbes. Here we show non-steady-state situations of vigorous mud movement that are revealed through variations in fluid flow, seabed temperature and seafloor bathymetry. Time series data for pressure, temperature, pH and seafloor photography were collected over 431 days using a benthic observatory at the active Håkon Mosby Mud Volcano. We documented 25 pulses of hot subsurface fluids, accompanied by eruptions that changed the landscape of the mud volcano. Four major events triggered rapid sediment uplift of more than a metre in height, substantial lateral flow of muds at average velocities of 0.4 m per day, and significant emissions of methane and CO2 from the seafloor.
    Description: Participation of the Sentry AUV and TETHYS team from WHOI was funded by the Arctic Research Initiative of WHOI’s Ocean and Climate Change Institute and the NASA ASTEP grant NNX09AB76G. Additional funds were made available by the AWI, the Max Planck Society and the DFG METEOR/MERIAN programme, as well as the Leibniz programme to A.B.
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  • 36
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature Communications 5 (2014): 4102, doi:10.1038/ncomms5102.
    Description: Tropical south-western Pacific temperatures are of vital importance to the Great Barrier Reef (GBR), but the role of sea surface temperatures (SSTs) in the growth of the GBR since the Last Glacial Maximum remains largely unknown. Here we present records of Sr/Ca and δ18O for Last Glacial Maximum and deglacial corals that show a considerably steeper meridional SST gradient than the present day in the central GBR. We find a 1–2 °C larger temperature decrease between 17° and 20°S about 20,000 to 13,000 years ago. The result is best explained by the northward expansion of cooler subtropical waters due to a weakening of the South Pacific gyre and East Australian Current. Our findings indicate that the GBR experienced substantial meridional temperature change during the last deglaciation, and serve to explain anomalous deglacial drying of northeastern Australia. Overall, the GBR developed through significant SST change and may be more resilient than previously thought.
    Description: Funding was provided by Deutsche Forschungsgemeinschaft (FE 615/4-1), Australian Research Council (Discovery grant DP1094001), Australia and New Zealand IODP Consortium, Australian Institute of Nuclear Science and Engineering, Natural Environmental Research Council (NE/H014136/1, NE/H014268/1), the Cooperative Research Program of the Center for Advanced Marine Core Research (10B039, 11A013, 11B041), Ministry of Earth Sciences, Govt. of India (with partial support from DST & ISRO-GBP) and Japan Society for the Promotion of Science (JSPS NEXT-GR031).
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  • 37
    Publication Date: 2022-05-26
    Description: © The Author(s), 2012. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in The ISME Journal 6 (2012): 1901-1915, doi:10.1038/ismej.2012.31.
    Description: Antarctic surface oceans are well-studied during summer when irradiance levels are high, sea ice is melting and primary productivity is at a maximum. Coincident with this timing, the bacterioplankton respond with significant increases in secondary productivity. Little is known about bacterioplankton in winter when darkness and sea-ice cover inhibit photoautotrophic primary production. We report here an environmental genomic and small subunit ribosomal RNA (SSU rRNA) analysis of winter and summer Antarctic Peninsula coastal seawater bacterioplankton. Intense inter-seasonal differences were reflected through shifts in community composition and functional capacities encoded in winter and summer environmental genomes with significantly higher phylogenetic and functional diversity in winter. In general, inferred metabolisms of summer bacterioplankton were characterized by chemoheterotrophy, photoheterotrophy and aerobic anoxygenic photosynthesis while the winter community included the capacity for bacterial and archaeal chemolithoautotrophy. Chemolithoautotrophic pathways were dominant in winter and were similar to those recently reported in global ‘dark ocean’ mesopelagic waters. If chemolithoautotrophy is widespread in the Southern Ocean in winter, this process may be a previously unaccounted carbon sink and may help account for the unexplained anomalies in surface inorganic nitrogen content.
    Description: CSR was supported by an NSF Postdoctoral Fellowship in Biological Informatics (DBI-0532893). The research was supported by National Science Foundation awards: ANT 0632389 (to AEM and JJG), and ANT 0632278 and 0217282 (to HWD), all from the Antarctic Organisms and Ecosystems Program.
    Keywords: Antarctic bacterioplankton ; Metagenomics ; Chemolithoautotrophy
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  • 38
    Publication Date: 2022-05-26
    Description: © Macmillan Publishers, 2013. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Oncogene 32 (2013): 1135–1143, doi:10.1038/onc.2012.135.
    Description: Neurofibromatosis type 2 patients develop schwannomas, meningiomas and ependymomas resulting from mutations in the tumor suppressor gene, NF2, encoding a membrane-cytoskeleton adapter protein called merlin. Merlin regulates contact inhibition of growth and controls the availability of growth factor receptors at the cell surface. We tested if microtubule-based vesicular trafficking might be a mechanism by which merlin acts. We found that schwannoma cells, containing merlin mutations and constitutive activation of the Rho/Rac family of GTPases, had decreased intracellular vesicular trafficking relative to normal human Schwann cells. In Nf2−/− mouse Schwann (SC4) cells, re-expression of merlin as well as inhibition of Rac or its effector kinases, MLK and p38SAPK, each increased the velocity of Rab6 positive exocytic vesicles. Conversely, an activated Rac mutant decreased Rab6 vesicle velocity. Vesicle motility assays in isolated squid axoplasm further demonstrated that both mutant merlin and active Rac specifically reduce anterograde microtubule-based transport of vesicles dependent upon the activity of p38SAPK kinase. Taken together, our data suggest loss of merlin results in the Rac-dependent decrease of anterograde trafficking of exocytic vesicles, representing a possible mechanism controlling the concentration of growth factor receptors at the cell surface.
    Description: This work was supported by NIH R01 CA118032 (to NR), and MBL research fellowships (to NR and GM), NIH R01 NS23868 (to STB).
    Keywords: Merlin ; NF2 ; Rac ; Trafficking ; Exocytosis
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  • 39
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Scientific Reports 4 (2014): 4170, doi:10.1038/srep04170.
    Description: Estimating abundance of Antarctic minke whales is central to the International Whaling Commission's conservation and management work and understanding impacts of climate change on polar marine ecosystems. Detecting abundance trends is problematic, in part because minke whales are frequently sighted within Antarctic sea ice where navigational safety concerns prevent ships from surveying. Using icebreaker-supported helicopters, we conducted aerial surveys across a gradient of ice conditions to estimate minke whale density in the Weddell Sea. The surveys revealed substantial numbers of whales inside the sea ice. The Antarctic summer sea ice is undergoing rapid regional change in annual extent, distribution, and length of ice-covered season. These trends, along with substantial interannual variability in ice conditions, affect the proportion of whales available to be counted by traditional shipboard surveys. The strong association between whales and the dynamic, changing sea ice requires reexamination of the power to detect trends in whale abundance or predict ecosystem responses to climate change.
    Description: This work received funding from the following institutions: Alfred Wegener Institute for Polar and Marine Research (AWI); Dutch Ministry of Agriculture, Nature and Food Quality (EL & I); German Federal Ministry of Food, Agriculture and Consumer Protection (BMELV); German Federal Ministry for the Environment, Nature Conservation and Nuclear Safety (BMU); the Institute for Marine Resources and Ecosystem Studies (Wageningen IMARES); Johann Heinrich von Thu¨nen Institute (Federal Research Institute for Rural Areas, Forestry and Fisheries); the Netherlands Polar Programme (NPP) of the Netherlands Organisation for Scientific Research (NOW); Research and Technology Centre Westcoast (FTZ) of the University Kiel. RW was funded by a Marie Curie International Incoming Fellowship within the 7th European Community Framework Programme (proposal Nu 253407 (call reference: FP7- PEOPLE-2009-IIF).
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  • 40
    Publication Date: 2022-05-26
    Description: © The Author(s), 2013. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in ISME Journal 8 (2014): 1-3, doi:10.1038/ismej.2013.176.
    Description: The need for metadata standards for microbe sampling in the built environment.
    Description: We would like to thank the Alfred P Sloan Foundation grant FP047325-01-PR for support for this project.
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  • 41
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Scientific Reports 4 (2014): 5024, doi:10.1038/srep05024.
    Description: Climate change is a major threat to global biodiversity. Antarctic ecosystems are no exception. Investigating past species responses to climatic events can distinguish natural from anthropogenic impacts. Climate change produces ‘winners’, species that benefit from these events and ‘losers’, species that decline or become extinct. Using molecular techniques, we assess the demographic history and population structure of Pygoscelis penguins in the Scotia Arc related to climate warming after the Last Glacial Maximum (LGM). All three pygoscelid penguins responded positively to post-LGM warming by expanding from glacial refugia, with those breeding at higher latitudes expanding most. Northern (Pygoscelis papua papua) and Southern (Pygoscelis papua ellsworthii) gentoo sub-species likely diverged during the LGM. Comparing historical responses with the literature on current trends, we see Southern gentoo penguins are responding to current warming as they did during post-LGM warming, expanding their range southwards. Conversely, Adélie and chinstrap penguins are experiencing a ‘reversal of fortunes’ as they are now declining in the Antarctic Peninsula, the opposite of their response to post-LGM warming. This suggests current climate warming has decoupled historic population responses in the Antarctic Peninsula, favoring generalist gentoo penguins as climate change ‘winners’, while Adélie and chinstrap penguins have become climate change ‘losers’.
    Description: We thank the Zoological Society of London, Quark Expeditions, Exodus Travels ltd., Oceanites, the Holly Hill Charitable Trust, the Charities Advisory Trust and an U.S. National Science Foundation (NSF) Office of Polar Programs grant (ANT-0739575) for funding.
    Keywords: Climate-change ecology ; Molecular ecology ; Molecular evolution ; Population genetics
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  • 42
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Scientific Reports 4 (2014): 5316, doi:10.1038/srep05316.
    Description: During the propagation of coherent mesoscale eddies, they directly or indirectly induce many effects and interactions at different scales, implying eddies are actually serving as a kind of energy carrier or energy source for these eddy-related dynamic processes. To quantify this dynamically significant energy flow, the multi-year averaged horizontal eddy energy fluxes (EEFs) were estimated by using satellite altimetry data and a two-layer model based on hydrographic climatology. There is a strong net westward transport of eddy energy estimated at the mean value of ~13.3 GW north of 5°N and ~14.6 GW at the band 5°S ~ 44°S in the Southern Hemisphere. However, poleward of 44°S east-propagating eddies carry their energy eastward with an averaged net flux of ~3.2 GW. If confirmed, it would signify that geostrophic eddies not only contain the most of oceanic kinetic energy (KE), but also carry and spread a significant amount of energy with them.
    Description: This study is supported by Grants XDA11010202, 2011CB403505, 2013CB430303; Projects 41306016, U1033002, 40976021 of NNSFC and LTOZZ1304.
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  • 43
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    Unknown
    Nature Publishing Group
    Publication Date: 2022-05-26
    Description: Author Posting. © The Author(s), 2014. This is the author's version of the work. It is posted here by permission of Nature Publishing Group for personal use, not for redistribution. The definitive version was published in Nature Climate Change 4 (2014): 862-863, doi:10.1038/nclimate2386.
    Description: Low oxygen levels in tropical oceans shape marine ecosystems and biogeochemistry with climate change expected to expand these regions. Now, a study indicates that regional dynamics control tropical oxygen trends, bucking projected global reductions in ocean oxygen.
    Description: 2015-03-25
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  • 44
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Nature Communications 5 (2014): 4274, doi:10.1038/ncomms5274.
    Description: Ecological connections between surface waters and the deep ocean remain poorly studied despite the high biomass of fishes and squids residing at depths beyond the euphotic zone. These animals likely support pelagic food webs containing a suite of predators that include commercially important fishes and marine mammals. Here we deploy pop-up satellite archival transmitting tags on 15 Chilean devil rays (Mobula tarapacana) in the central North Atlantic Ocean, which provide movement patterns of individuals for up to 9 months. Devil rays were considered surface dwellers but our data reveal individuals descending at speeds up to 6.0 m s−1 to depths of almost 2,000 m and water temperatures 〈4 °C. The shape of the dive profiles suggests that the rays are foraging at these depths in deep scattering layers. Our results provide evidence of an important link between predators in the surface ocean and forage species occupying pelagic habitats below the euphotic zone in ocean ecosystems.
    Description: This research was partially supported by the Portuguese Foundation for Science and Technology/Ministry of Education and Science (FCT/MCTES-MEC) through individual support to P.A. (Cieˆncia 2008/POPH/QREN) and J.F. (SFRH/BPD/66532/2009) and the LARSyS Strategic Project (PEst/OE/EEI/LA00009/2011). This study was support by the US National Science Foundation (OCE 0825148 to S.R.T. and G.B.S.), The Harrison Foundation, Rodney and Elizabeth Berens, the King Abdullah University of Science and Technology (baseline research funds to M.L.B.) and the Woods Hole Oceanographic Institution.
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  • 45
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Scientific Reports 4 (2014): 5848, doi:10.1038/srep05848.
    Description: Interior Antarctica is among the most remote places on Earth and was thought to be beyond the reach of human impacts when Amundsen and Scott raced to the South Pole in 1911. Here we show detailed measurements from an extensive array of 16 ice cores quantifying substantial toxic heavy metal lead pollution at South Pole and throughout Antarctica by 1889 – beating polar explorers by more than 22 years. Unlike the Arctic where lead pollution peaked in the 1970s, lead pollution in Antarctica was as high in the early 20th century as at any time since industrialization. The similar timing and magnitude of changes in lead deposition across Antarctica, as well as the characteristic isotopic signature of Broken Hill lead found throughout the continent, suggest that this single emission source in southern Australia was responsible for the introduction of lead pollution into Antarctica at the end of the 19th century and remains a significant source today. An estimated 660 t of industrial lead have been deposited over Antarctica during the past 130 years as a result of mid-latitude industrial emissions, with regional-to-global scale circulation likely modulating aerosol concentrations. Despite abatement efforts, significant lead pollution in Antarctica persists into the 21st century.
    Description: This work primarily was supported by the U.S. National Science Foundation Division of Polar Programs (research grants 9903744, 0538427, 0538416, 0968391, 1142166, 0632031; instrument grants 0216552, 0421412).
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  • 46
    Publication Date: 2022-05-26
    Description: © The Author(s), 2014. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Scientific Reports 4 (2014): 7366, doi:10.1038/srep07366.
    Description: The magnitude of flooding in New York City by Hurricane Sandy is commonly believed to be extremely rare, with estimated return periods near or greater than 1000 years. However, the brevity of tide gauge records result in significant uncertainties when estimating the uniqueness of such an event. Here we compare resultant deposition by Hurricane Sandy to earlier storm-induced flood layers in order to extend records of flooding to the city beyond the instrumental dataset. Inversely modeled storm conditions from grain size trends show that a more compact yet more intense hurricane in 1821 CE probably resulted in a similar storm tide and a significantly larger storm surge. Our results indicate the occurrence of additional flood events like Hurricane Sandy in recent centuries, and highlight the inadequacies of the instrumental record in estimating current flood risk by such extreme events.
    Description: Funding for this work was provided by the Hudson River Foundation Expedited Grant #004/12E, the Hudson River Foundation Graduate Fellowship 02–13, the National Science Foundation (RAPID grant #1313859 and instrument and facility support via grant IF-0949313), and the Dalio Explore Fund.
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  • 47
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 1-7 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Short-range order parameters were obtained for a single crystal of 62Ni3Fe quenched from above Tc. These are the first absolute measurements of diffuse elastic neutron scattering complete enough to separate the effects of local order and atomic displacements (up to quadratic terms) and indicate that neutrons are ideally suited for such studies. The results are compared to those obtained with X-rays. The short-range order intensity of Ni3Fe is similar in shape to that for Cu3Au but in this alloy it is due to the plate-like nature of ordered domains, not the antiphase domain boundaries which are present in such regions in Cu3Au.
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  • 48
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 54-57 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: X-ray investigations of Eu2+-rich precipitates in NaCl single crystals have revealed the presence of two phases. Phase A of chemical formula EuCl2 with a CaF2-type structure and lattice parameter a = 6.969 (2) Å preserves strictly the orientation of the matrix lattice. Phase B with the lattice parameter a = 7.47 (1) Å and tentative formula EuCl2.2NaCl, containing Eu2+ ions and charge-compensating cation vacancies, is localized at subgrain boundaries and is thermally less stable than phase A.
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  • 49
    Electronic Resource
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 68-74 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The present paper deals with the finding and the estimation of negative quartets. The use of symmetry is also discussed and the results obtained for four structures of increasing size are reported. Conditional probability distributions using magnitudes contained in the second representation of the quartets provides improved estimates of their phases.
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  • 50
    Electronic Resource
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 116-122 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The concept of disorientation, previously used for studying the statistical distribution of the relative orientation of identical cubic crystals, is defined in this work for any two lattices. Using the proposed definition, an algorithm is presented, allowing all the known relative orientations between the two lattices to be conveniently classed. As an example, a unified classification of the numerous mutual orientations of the Al and CuAl2 crystals is suggested. The unit quaternion method used by Grimmer [Acta Cryst. (1974), A30, 685-688] for identical cubic lattices is here proved efficient for discussing the pair axis/angle disorientations in more complicated cases: cubic 1/cubic 2; tetragonal 1/tetragonal 2; hexagonal 1/hexagonal 2; cubic/tetragonal; cubic/orthorhombic and cubic/hexagonal. The general expressions of equivalent quaternions are given for any point group of lattice 1 or lattice 2.
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  • 51
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 122-126 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The controversial space-group problem of spinel, MgAl2O4, whether it is Fd3m or F{\bar 4}3m, was studied by electron diffraction. It was confirmed that the appearance of 'forbidden reflections' such as {200} was caused by the double reflection process of reflections with high indices on the non-zero-order Laue zone. Consequently, the space group of spinel is Fd3m, and the assignment of the space group to F{\bar 4}3m is ruled out. The change of space group from F{\bar 4}3m to Fd3m associated with a phase transition, proposed by Mishra & Thomas [Acta Cryst. (1977), A33, 678], can also be explained by double diffraction: the magnitudes of primary reflections with high indices rapidly decrease due to the increase of the Debye-Waller factors at elevated temperatures.
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  • 52
    Electronic Resource
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 143-146 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: It is pointed out that there is some uncertainty as to the correct behaviour of the integrated reflectivity as a function of the degree of asymmetry for the scattering of X-rays from imperfect crystals in the extremely asymmetric Bragg case. Numerical calculations based on the Takagi-Taupin equations are exemplified and indicate that the integrated reflectivity for such crystals tends asymptotically to the perfect-crystal result in the asymmetric limits, the perfect-crystal result, in turn, tends to the kinematical value at these limits, as has been shown previously. In addition, comments are offered on the relevance of the present work to the study of highly imperfect crystals by section topography, and in particular to the study of the near-surface grain-boundary structure of crystals.
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  • 53
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 147-148 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The mean Debye-Waller parameter {\bar {\it B}}of TlCl has been determined by double- as well as triple-axis neutron diffraction for a powder sample. Thermal diffuse scattering (TDS) corrections have also been made to the intensity of the diffraction peaks obtained by these techniques. TDS was found negligible in the triple-axis diffraction pattern as expected. The {\bar {\it B}} values thus found are 3.08 ± 0.43 and 3.07 ± 0.22 Å2, respectively, for double- and triple-axis methods. These values are in good agreement with those found by recent X- ray diffraction measurements.
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  • 54
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 157-158 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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  • 55
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 171-177 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Based on the new energy-transfer equations [Kato (1976). Acta Cryst. A32, 458-466; Kato (1979). Acta Cryst. A35, 9-16] the integrated intensities (II) are calculated. Since the energy-transfer equations have physical meanings different from the traditional ones originally given by Darwin [Philos. Mag. (1922), 43, 800-824] and extended by Hamilton [Acta Cryst. (1957), 10, 629-634], the method of calculating (II) must be modified, particularly in the case of a wide incident beam. Since the modified method does not include the angular integration, it is much simpler than the traditional method. Thus, the analytically rigorous expressions of (II) can be obtained for parallel-sided crystals including absorption, and for any diffraction conditions.
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  • 56
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 190-193 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: High-resolution electron microscopy can be used to differentiate between two structural models of long-period ordered alloys. These models differ in the nature of the disorder as seen in the stacking irregularities which can have planar boundaries as exemplified by Ag3Mg or wavy boundaries as in AuCu II. In the composition range 22-27 at.% Mg, Ag3Mg is built up with a regular arrangement of two kinds of structural layers, 1 or 2 L12 cells in thickness. Some stacking disorder exists, but this alloy can be locally described using a space-group notation and has the character of being an infinitely adaptative structure. High-resolution images have been used to show the perfect planarity of the boundaries in Ag3Mg, thus demonstrating the way in which disorder is accommodated in this alloy.
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  • 57
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 333-333 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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  • 58
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 334-334 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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  • 59
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 344-350 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Retention of known geometry, with regard to mean atomic positions, has proved useful in the refinement of macromolecules. In structures with a paucity of diffraction data and large displacements of the atoms from their mean positions, it is also of value to restrain the thermal factors to be consistent with known stereochemistry. This paper presents a technique for accomplishing this by restraining the variances of the interatomic distributions (which are functions of the mean atomic positions and the thermal parameters) to suitably small values. This procedure allows meaningful anisotropic refinement of macromolecules to be carried out with low-resolution diffraction data. Anisotropic thermal parameters obtained in this way should prove useful in understanding the dynamics of the biological functions of macromolecules.
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  • 60
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 353-356 
    ISSN: 1600-5724
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    Notes: From careful measurement and indexing of the powder diffraction patterns obtained for pure dicalcium silicate, unit-cell parameter vs temperature plots have been obtained covering the β and α' dicalcium silicate phases. It is found that these phases are all closely related, the temperature variations, for example, being gradual from 293 K (the β phase) and more discontinuous between 993 and 1043 K corresponding to the β = α'L transition. Our conclusions lead to a simplified dicalcium silicate transformation scheme which requires that there is no phase differentiation within the β-phase regime.
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    Acta crystallographica 36 (1980), S. 372-378 
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    Notes: The ordered domain structure present in the α-phase Cu-Al alloys investigated by Epperson, Ffirnrohr & Ortiz [Acta Cryst. (1978), A34, 667-681] is determined by an extension of the computer method developed recently by Epperson [J. Appl. Cryst. (1979), 12, 351-356] for analyzing a Gehlen-Cohen type simulated structure for a binary, f.c.c., locally ordered alloy in terms of nearest-neighbor atomic configurations. The dominant ordered feature of the more concentrated of these alloys is the existence of randomly dispersed Boric-Sparks tetrahedra; that is, four nearest-neighbor Al atoms arranged tetrahedrally about a Cu atom. The majority of these tetrahedra are isolated; however, as many as three or four are occasionally found to be joined in fragments of a Cu3Au-type antiphase-shift structure. This extended ordered structure also incorporates the Cu3Au-type ring configuration, another principal characteristic structural feature of these Cu-Al alloys. As a typical example, a Cu-14.76 at.% Al alloy quenched from 923 K and annealed for 1580 h at 423 K was found to contain 87 such locally ordered regions in an 8000-atom model. Of these 'domains', 74 were isolated tetrahedra and the remainder consisted of pairs of tetrahedra joined such that their central atoms were mutual second-nearest neighbors. For this alloy and heat treatment, the locally ordered regions of this type amount to about 14 volume % of the microstructure and contain 32% of the Al in the alloy. The average (spherical) domain size is only 3.4 Å. Not only are the locally ordered regions very small, but there are also perceptible imperfections in the packing sequence.
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    Acta crystallographica 36 (1980), S. 470-475 
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    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A method of using quartets and quintets in the direct-methods program MULTAN is described with several successful applications.
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    Acta crystallographica 36 (1980), S. 330-330 
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    Acta crystallographica 36 (1980), S. 331-332 
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    Acta crystallographica 36 (1980), S. 334-334 
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    Acta crystallographica 36 (1980), S. 496-496 
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    Notes: In Agarwal [Acta Cryst. (1978), A34, 791-809], equation (61) should read: c3 = 2Cm1 Cm2. All information is given in the Abstract.
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    Acta crystallographica 36 (1980), S. 499-500 
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    Acta crystallographica 36 (1980), S. 502-502 
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    Acta crystallographica 36 (1980), S. 520-530 
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    Notes: Above the 1300 K transition and in the defect fluorite phase, there is diffuse X-ray scattering which is similar for both Ca- and Y-stabilized zirconias. This is largely due to ionic displacements from the average structure, principally oxygen ions displaced locally in (100) directions. It has been proposed that some of this scattering is due to fine precipitates of ZrCa4O9 or ZrY4O9. The quantitative analysis of this diffuse scattering reported here does indeed indicate some similarities to this phase; in particular the stabilizing ions form rods in the ({\bar 3}{\bar 3}2) directions similar to those in the precipitate. However, in this compound the stabilizing ion is a second neighbor to an oxygen-ion vacancy, whereas the present results indicate that these tend to be first neighbors. This is the first direct evidence for this association in these materials. This probably occurs to reduce local distortions and to provide local charge balance. It is concluded that the diffuse intensity is from locally ordered regions, not precipitates.
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    Acta crystallographica 36 (1980), S. 573-578 
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    Notes: Some algorithms have been derived to calculate the expected values of one-phase seminvariants of first rank in space groups up to orthorhombic by a probabilistic approach [Giacovazzo (1978). Acta Cryst. A34, 562-576]. The method has been tested on several known structures. The results show how the method can secure a very reliable estimate for a limited number of one-phase seminvariants which can be used from the initial stages of phase determination. In addition, the estimated values can be used as a good figure of merit to select the correct K2 solution in a multisolution procedure.
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    Acta crystallographica 36 (1980), S. 600-604 
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    Notes: Extinction effects in white-beam X-ray and neutron diffraction are considered following the formulation developed for monochromatic-beam diffraction by Becker & Coppens [Acta Cryst. (1974), A30, 129-147]. In white-beam diffraction, a small deviation of the wavelength from the Bragg condition Δλ is a variable which represents the line profile of the diffraction peaks, so that by using the new parameter Δλ the theory is converted to one in white-beam diffraction. It is shown that for a convex crystal, primary extinction yp agrees with the results calculated already for monochromatic diffraction. The same relation is shown to hold in secondary extinction ys. It is concluded that extinction theory derived for monochromatic diffraction is applicable without any modification in white-beam diffraction.
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    Acta crystallographica 36 (1980), S. 620-624 
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    Notes: The minimum-variance weighting scheme for calculating the weighted mean of a quality for the following unusual case is analysed. The quantity is derived from the product of two independent quantities for each of the which a set of data is available. All the products between the two sets of data are taken into consideration. The application to measurements of the polarization state of X-radiation is outlined.
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    Acta crystallographica 36 (1980), S. 653-656 
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    Notes: Direct methods are applied to difference-structure factors for a structure containing one or more heavy atoms at known special or pseudo-special positions, such that the heavy atoms do not contribute to several reflection parity groups. Phases of reflections in these parity groups, represented by symbols, are analysed by the sign-correction method. Phases as well as amplitudes of the difference-structure factors are refined by the general DIRDIF procedure as described previously.
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    Acta crystallographica 36 (1980), S. 74-82 
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    Notes: A phase relationship involving triplet and quartet contributions is given. It is able to take account of the correlation between triplet and quartet relations. The information exploited by the formula is discussed and compared with that exploited by phase relationships arising from the properties of the Fourier transform of periodic positive functions. In particular, the information contained in a Karle-Hauptman determinant of low order is briefly considered.
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    Acta crystallographica 36 (1980), S. 57-67 
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    Notes: Two approximations that are commonly used to describe the scattering of high-energy electrons are the first Born approximation (kinematic approximation) and the closely related 'weak phase-object' approximation. The quantitative domains of validity for the use of these two scattering approximations for structural analysis of organic crystals are evaluated numerically in terms of resolution, crystal thickness and incident electron energy. The resulting calculations show how progressively important dynamical scattering effects lead to an increasingly large contribution to the R value in a structure factor analysis. Alternatively, the results show that an increasing dissimilarity is produced between the structure inferred from electron microscope images and the correct structure. The results also show that the actual images (and the structure inferred from the images) remain qualitatively similar to the projected Coulomb potential, even though dynamical scattering effects may lead to a large quantitative dissimilarity relative to the correct structure.
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    Acta crystallographica 36 (1980), S. 96-103 
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    Notes: The structure of sodium chloride has been studied by gas-phase electron diffraction using photographic plates designed for high-temperature work [Kakumoto, Ino, Kodera & Kakinoki (1977). J. Appl. Cryst. 10, 100-103]. The molecular structure at about 1130 K has been determined by an analysis based on the new complex scattering factors for Na+ and Cl- calculated recently by the present authors. The radial distribution function shows the existence of a considerable amount of dimer molecules in the vapor. The structures of the monomer and dimer have been analyzed by a least-squares method assuming that the dimer is of a planar diamond shape: for monomer ra(Na--Cl) = 2.392 ± 0.028, for dimer ra(Na-Cl) = 2.515 ± 0.017, ra(Cl-Cl) = 3.893 ± 0.021 Å, ∠ClNaCl = 101.4 ± 0.8°. The present study indicates that the Na--Cl distance of the dimer is longer than that of the monomer and the determined structure parameters differ appreciably from existing theoretical predictions.
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    Acta crystallographica 36 (1980), S. 741-746 
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    Notes: The cation distribution of the compounds (Fe0,5Ta0,5)O2 and (Fe0,45Nb0,53)O2 has been redetermined by the combined use of neutron and X-ray powder diffraction. Analysis of the powder patterns showed that the compounds are isostructural, their structure being of the rutile-type AO2. The cations are statistically distributed. There exists no partial ordering, neither of Fe and Ta nor of Fe and Nb. Neutron diffraction patterns taken at 4.2 K showed only one magnetic reflection, which is strongly broadened. The magnetic structure of (Fe0.5Ta0.5)O2 is of MnF2-type, whereas (Fe0.45Nb0.53)O2 orders in the BEY-structure. Profile analysis of these broadened reflections was carried out with the convolution integral of a Gaussian with a Lorentzian function, from which correlation lengths could be derived.
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    Acta crystallographica 36 (1980), S. 156-156 
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    Notes: The Abstract by Modlin & Rodgers [Acta Cryst. (1978), A34, S4, 381] was submitted without the knowledge of the present author, who was not aware of its content. Only preliminary discussions and work on certain aspects of a research programme had taken place at the time that the Abstract was submitted. The conclusions claimed in the last sentence had not been arrived at.
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    Acta crystallographica 36 (1980), S. 155-156 
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    Notes: The scattering factors of the 1s22s22p6 core for K+ and Cl- have been calculated from analytical wave functions and also with one-term Gaussian representations. These scattering factors, together with the experimental structure factors, have been used to obtain, by difference Fourier inversion, the valence-electron charge distributions of KCl in the [100], [110] and [111] directions. By comparison, a very simple one-term Gaussian representation has been shown to yield reliable results.
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    Acta crystallographica 36 (1980), S. 157-157 
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    Notes: In Bertaut & Dulac [Acta Cryst. (1972), 28, 580-588], for clerical reasons an error has crept in so that the numerical moment values of y and z components of Cr1 are to be interchanged. One should read in the Abstract and in relation (8.9): Sz(Cr1) = -0.73 (instead of -0.45); sy(Cr1) = 0.45 (instead of + 0.73).
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    Acta crystallographica 36 (1980), S. 819-826 
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    Notes: All geometric units in crystal structures of space groups P{\bar 4}3m, I{\bar 4}3m, Pn3m, F{\bar 4}3m and Fd3m possess point group {\bar 4}3m. These units may be vacant, or may contain one or more atoms. In units containing more atoms than one, the atoms form one or a collection of these polyhedra: tetrahedron, truncated tetrahedron, octahedron, cuboctahedron or truncated octahedron; the last two may be distorted. Therefore, a formula that lists the consecutive polyhedra starting from the center of the unit can be used for the tabulation of these crystal structures. Only structures of Cu2O type are known in Pn3m and typical structures of the other four space groups are tabulated.
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    Acta crystallographica 36 (1980), S. 830-830 
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    Notes: The equivalence relationships for general planes (or reflexions) in Laue class {\bar 3}1m are different from those for Laue class {\bar 3}m1. Table 3.5.1 of International Tables for X-ray Crystallography [(1969). Vol. I. Birmingham: Kynoch Press] makes no allowance for these differences. The necessary corrections are given.
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    Acta crystallographica 36 (1980), S. 834-834 
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    Acta crystallographica 36 (1980), S. 835-836 
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    Acta crystallographica 36 (1980), S. 836-836 
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    Acta crystallographica 36 (1980), S. 851-856 
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    Notes: New twin domains of thickness of the order of a few micrometres can be created in KClO3 crystals by applying a small uniaxial stress. The observed domain structure can be explained by postulating a hypothetical prototype phase of symmetry 4/mmm. The magnitude of spontaneous strain, σs, for the room-temperature monoclinic phase, computed on the basis of the postulated tetragonal prototype, has an exceptionally large value of 0.257. Further, σs varies linearly as the square root of temperature, implying a mean-field-like behaviour. However, presumably because of the very large spontaneous strain, attempts to move the domain walls back and forth by applying uniaxial stress (at room temperature) have not yet been successful, and the question asked in the title may be a matter of definition.
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    Acta crystallographica 36 (1980), S. 198-205 
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    Notes: A systematic theoretical analysis is made of the kinds of structural irregularity which occur in biological systems. The theoretical problems investigated were: (1) the precise meaning of the term 'paracrystal' when applied to biological systems such as tropomyosin tactoids, collagen fibrils, keratin and the myelin sheath of nerve; (2) the relationship between the paracrystal and liquid-theory descriptions of disorder which have recently been applied to the structure of collagen fibrils; (3) how structural irregularity affects the diffraction patterns (X-ray, neutron and electron) which are commonly used to investigate the structure of these systems experimentally. The conclusions are: (I) paracrystalline disorder of the first kind refers to a spatially disordered crystal but for biological systems it would generally be impracticable to distinguish this from thermal disorder; (2) paracrystalline disorder of the second kind provides a conceptually clumsy method for describing liquid-like systems; (3) paracrystal models are not strictly valid for finite systems; (4) modern liquid theory, as applied, for example, to the structure of the collagen fibrils, provides an elegant and economical alternative to paracrystal theory for disorder of the second kind; (5) the presence of peaks in diffraction patterns from biological systems does not necessarily imply that the system has very much regularity, i.e. it is not evidence for the existence of a lattice.
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    Acta crystallographica 36 (1980), S. 228-237 
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    Notes: Ternary oxides AMO2, A2MO3 and A5MO6 with monovalent A and tri-, tetra- or hepta-valent M metals can exhibit order/disorder transitions with about 20 superstructures of the NaC1 lattice. Some structures can be related to AM, A2M and A5M alloys with a larger distortion of the lattice due to stronger interactions between metal atoms. In ternary oxides about 30 short-range order configurations are selected for the first, second and third shell of metal atoms in applying Pauling's electrovalence rule. Stable configurations are characterized by the strength of Coulomb interactions and by a high point symmetry of the M atoms. Mainly disordered ternary oxides can vary stoichiometrically with a frequent occurrence of vacancies or with partial occupation of tetrahedral interstices by A atoms.
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    Acta crystallographica 36 (1980), S. 259-265 
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    Notes: A statistical distribution of ions M in lattices or partial lattices ∞[A1 - xMxLm] of mixed crystals being assumed, the probability functions PJ(V)(x) for single coordination polyhedra MLn (j = 1), pairs (j = 2) and larger clusters of MLn groups (j 〉 2) in 1D (v = 2) and v-connected 2D systems (v = 3, 4, 6) are calculated. On raising the connecting number v, increasing cluster probabilities are distinctly shifted to lower concentrations x of the foreign ion M. For a relation between the numerical values P(x) and experimental results, the mixed-crystal series (BaF)2[Zn1 - xCuxF4] of a four-connected 2D structure is given as an illustrative example.
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    Acta crystallographica 36 (1980), S. 282-287 
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    Notes: Oriented specimens of biomembranes give distinct X-ray diffraction patterns of circular symmetry along the equatorial plane. In order to interpret such a diffraction pattern, properties of the radial autocorrelation function were examined in detail in conjunction with electron-density distribution and applied. The radial autocorrelation function, which is the Fourier-Bessel transform of an intensity function with circular symmetry, is the radial projection of a two- dimensional autocorrelation function and can be interpreted in terms of Fourier components of electron-density projection along the membrane normal. Some useful information is obtainable on the structure of the scatterer: (i) the approximate size of the X-ray scatterer; (ii) judgement of crystalline or non-crystalline arrangement of molecules; (iii) the existence of a regular arrangement of the electron-density fluctuations in a projection along the membrane normal; (iv) the rotational symmetry element existing in the scatterer if any.
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    Acta crystallographica 36 (1980), S. 299-303 
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    Notes: The pressure dependence of the lattice parameters of PdZn having an L10-type structure has been measured up to 24 GPa (240 kbar) with a diamond-anvil-type cell and sodium chloride as an internal-pressure marker. The axial ratio c/a, which was originally 0.814 (1) [between the two extreme values 1.00 and 0.707 (= 1/ \sqrt{2}) for this type of structure], does not decrease but increases with increasing pressure and after reaching 0.822 at 10 GPa it remains almost constant on further compression. The equation of state has been derived for the L10-type structure assuming pairwise interactions between like atoms and between unlike atoms and comparison is made between the calculated and observed compression curves of the a and c axes. The anisotropy in the lattice compressibility leads to a considerably larger interatomic potential for the unlike atom pair than for the like atom pair.
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    Acta crystallographica 36 (1980), S. 442-450 
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    Notes: Formulas are derived extending several semi-empirical absorption-correction methods to diffractometers operating in Weissenberg geometries, with particular attention paid to flat-cone geometry. These formulas are useful for a variety of instruments using both area and linear position-sensitive detectors. While a complete data set can sometimes be corrected using a single absorption reflection, it was found that the best corrections are usually obtained by considering two absorption reflections rather than one. A discussion of the optimum choice of absorption correction when a crystal has at least a twofold symmetry axis is presented. The accuracy of the methods and the limits of applicability have been examined by computer simulations.
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    Acta crystallographica 36 (1980), S. 436-442 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Both real and imaginary components of the anomalous X-ray scattering were measured by single-crystal diffraction experiments with synchrotron radiation at wavelengths through the region of the three L absorption edges of cesium, the first such experiment for any element at the L edges. Near the L3 edge f' varies between -26.7 and -13.9 and f" between 4.0 and 16.1 electrons in a wavelength interval of 0.008 Å. Similar but smaller changes occur near the L2 edge, and still smaller ones at L1. Fine structure in the f" curve corresponds to that observed in an absorption curve and also, by a dispersion relation, to fine structure in the f' curve. These effects offer promise as a substitute for isomorphous replacement for solving the phase problem for macromolecular crystal structure. Similar experiments with cobalt near the K edge give f' values in agreement with measurements by other workers for nickel and copper by different methods at corresponding wavelengths; the lowest value observed is f' = -7.5 electrons.
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  • 94
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 1065-1070 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A systematic investigation of the effect of phase errors of different types on E maps is presented. Both random and systematic errors have been considered with distributions depending in different ways on the resolution of the data. Considerably large random errors can be tolerated without great loss of structural information in the E maps, while smaller systematic errors have greater destructive effects. These effects are explained by the introduction and analysis of a phase-error function.
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  • 95
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 1072-1088 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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  • 96
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 1093-1093 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
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  • 97
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 1094-1094 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
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  • 98
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 904-915 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Based on accurate X-ray diffraction intensity data collected from spherically shaped single crystals, net atomic charges and electron density distributions have been studied for MnO, Mn2SiO4, Mg2Si2O6, LiAlSi2O6 and CaMgSi2O6. Examination of various procedures for determining atomic charges in a given structure has led to the conclusion that the following approach appears to be most reliable. (1) For cations: the number of electrons in the sphere of radius ER, effective distribution radius, which is defined according to the characteristics of radial distribution functions or difference-Fourier maps, is calculated. (2) For oxygen atoms: with the cation charges fixed at the values obtained from the above procedure and the total charge of the crystal constrained to be neutral, oxygen charges are estimated from least-squares refinements using atomic scattering factors. The final charges of atoms examined are less ionic than the corresponding formal ones: those of Li, O, Mg, Al, Si, Ca and Mn are respectively + 0.7 (1), -1.1 to -1.5, + 1.4 (1) to + 1.8, + 2.4(1), + 2.2 (1) to + 2.6, + 1.4 (2) and + 1.2 (1) to + 1.6 e. Residual electron densities between Si and O have been clearly observed in difference-Fourier maps after charge refinements for crystals of LiAlSi2O6, CaMgSi2O6 and Mg2Si2O6.
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  • 99
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 937-944 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Beu, Musil & Whitney [Acta Cryst. (1962), 15, 1292-1301; Acta Cryst. (1963), 16, 1241-1242] proposed a maximum-likelihood method of estimating the lattice parameters of cubic, tetragonal and hexagonal crystals, and a method of testing the hypothesis that systematic errors had been satisfactorily accounted for. The use of maximum likelihood is unnecessary, and open to some objection. The argument is therefore rewritten in the more familiar least-squares form, and is generalized to cover the remaining crystal systems. Only if systematic errors are absent is it legitimate to estimate standard deviations of parameters from the differences of observed and calculated Bragg angles. With minor modifications the results are applicable to structural parameters also.
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  • 100
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    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 945-946 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: If dispersive atoms are present the structure factor of a centrosymmetric crystal is not purely real, and the probability distribution of the modulus of the structure factor becomes P(F)dF = ( 2F/μ) exp (-ΣF2/μ2)I0(SF2/μ2)dF, where Io is the modified Bessel function of zero order, Σ is the sum of the squares of the moduli of the atomic scattering factors, S is the modulus of the sum of their squares, and μ is (Σ2 - S2)1/2. For a non-centrosymmetric crystal the form of the distribution is not altered, but Σ must be defined as in the preceding sentence.
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