ALBERT

Description: A Guinier camera equipped with an imaging plate is used to investigate and eliminate the sources of instrumental errors affecting the quality of the obtained scanned Guinier data. A program with a graphical user interface is presented which converts the data of the scanned images into different standard file formats for powder X‐ray patterns containing intensities, their standard deviations and the diffraction angles. The program also allows for manual and automatic correction of the 2gθ scale against a known reference material. It is shown using LaB6 that the exported X‐ray diffraction patterns provide a 2gθ scale reproducible enough to allow for averaging diffractograms obtained from different exposures of the imaging plate for the same sample. As shown on a mixture of NaCl and sodalite, the quality of the produced data is sufficient for Rietveld refinement. The software including source code is made available under a free software license.

Description: A program for the digitization of Guinier powder diffraction images is described, which works with images from both optical and laser scanners. Thus, processing of data from storage‐phosphor‐based imaging plates and Ag‐based photographic films is possible.

Description: The recent diversification of macromolecular crystallographic experiments including the use of pink beams, convergent electron diffraction and serial snapshot crystallography has shown the limitations of using the Laue equations for diffraction prediction. This article gives a computationally efficient way of calculating approximate crystal diffraction patterns given varying distributions of the incoming beam, crystal shapes and other potentially hidden parameters. This approach models each pixel of a diffraction pattern and improves data processing of integrated peak intensities by enabling the correction of partially recorded reflections. The fundamental idea is to express the distributions as weighted sums of Gaussian functions. The approach is demonstrated on serial femtosecond crystallography data sets, showing a significant decrease in the required number of patterns to refine a structure to a given error.

Description: Reflection position, size and shape prediction and partiality estimation of crystal diffraction by integrating using a Gaussian basis are described.

Description: Magnetic small‐angle neutron scattering (SANS) is ideally suited to providing direct reciprocal‐space information on long‐wavelength magnetic modulations, such as helicoids, solitons, merons or skyrmions. SANS of such structures in thin films or micro‐structured bulk materials is strongly limited by the tiny scattering volume vis a vis the prohibitively high background scattering by the substrate and support structures. Considering near‐surface scattering just above the critical angle of reflection, where unwanted signal contributions due to substrate or support structures become very small, it is established that the scattering patterns of the helical, conical, skyrmion lattice and fluctuation‐disordered phases in a polished bulk sample of MnSi are equivalent for conventional transmission and near‐surface SANS geometries. This motivates the prediction of a complete repository of scattering patterns expected for thin films in the near‐surface SANS geometry for each orientation of the magnetic order with respect to the scattering plane.

Description: Near‐surface SANS is discussed for its potential as a probe of long‐wavelength magnetic modulations in specimens with reduced sample dimensions.

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Complex functional materials play a crucial role in a broad range of energy‐related applications and in general for materials science. Revealing the structural mechanisms is challenging due to highly correlated coexisting phases and microstructures, especially for 〈italic〉in situ〈/italic〉 or 〈italic〉operando〈/italic〉 investigations. Since the grain sizes influence the properties, these microstructural features further complicate investigations at synchrotrons due to the limitations of illuminated sample volumes. In this study, it is demonstrated that such complex functional materials with highly correlated coexisting phases can be investigated under 〈italic〉in situ〈/italic〉 conditions with neutron diffraction. For large grain sizes, these experiments are valuable methods to reveal the structural mechanisms. For an example of 〈italic〉in situ〈/italic〉 experiments on barium titanate with an applied electric field, details of the electric‐field‐induced phase transformation depending on grain size and frequency are revealed. The results uncover the strain mechanisms in barium titanate and elucidate the complex interplay of stresses in relation to grain sizes as well as domain‐wall densities and mobilities.〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉This work reports 〈italic〉in situ〈/italic〉 neutron diffraction experiments on a broad range of grain sizes of barium titanate. The study reveals the grain‐size‐dependent strain mechanisms and shows the competitiveness of neutron diffraction with high‐resolution synchrotron diffraction.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2vb5054:jcr2vb5054-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉A way has been developed to measure the unit‐cell parameters of a single crystal just from an energy scan with X‐rays, even when the exact energy of the X‐rays is not well defined due to an error in the pitch angle of the monochromator. The precision of this measurement reaches 〈italic〉da〈/italic〉/〈italic〉a〈/italic〉 ∼ 1 × 10〈sup〉−5〈/sup〉. The method is based on the analysis of diffraction losses of the beam, transmitted through a single crystal (the so‐called `glitch effect'). This method can be easily applied to any transmissive X‐ray optical element made of single crystals (for example, X‐ray lenses). The only requirements are the possibility to change the energy of the generated X‐ray beam and some intensity monitor to measure the transmitted intensity. The method is agnostic to the error in the monochromator tuning and it can even be used for determination of the absolute pitch (or 2gθ) angle of the monochromator. Applying the same method to a crystal with well known lattice parameters allows determination of the exact cell parameters of the monochromator at any energy.〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Diffraction losses (glitches) at certain energies of the X‐ray beam, transmitted through a single crystal, can be used for lattice parameters determination as well as for calibrating the monochromator (absolute pitch angle and the unit‐cell parameter).〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2ay5590:jsy2ay5590-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉

Description: Two data evaluation concepts for X‐ray stress analysis based on energy‐dispersive diffraction on polycrystalline materials with cubic crystal structure, almost random crystallographic texture and strong single‐crystal elastic anisotropy are subjected to comparative assessment. The aim is the study of the residual stress state in hard‐to‐reach measurement points, for which the sin2ψ method is not applicable due to beam shadowing at larger sample tilting. This makes the approaches attractive for stress analysis in engineering parts with complex shapes, for example. Both approaches are based on the assumption of a biaxial stress state within the irradiated sample volume. They exploit in different ways the elastic anisotropy of individual crystallites acting at the microscopic scale and the anisotropy imposed on the material by the near‐surface stress state at the macroscopic scale. They therefore complement each other, in terms of both their preconditions and their results. The first approach is based on the evaluation of strain differences, which makes it less sensitive to variations in the strain‐free lattice parameter a0. Since it assumes a homogeneous stress state within the irradiated sample volume, it provides an average value of the in‐plane stresses. The second approach exploits the sensitivity of the lattice strain to changes in a0. Consequently, it assumes a homogeneous chemical composition but provides a stress profile within the information depth. Experimental examples from different fields in materials science, namely shot peening of austenitic steel and in situ stress analysis during welding, are presented to demonstrate the suitability of the proposed methods.

Description: The single‐crystal elastic anisotropy and the anisotropy of the near‐surface (residual) stress state of polycrystalline materials with random texture are exploited in energy‐dispersive X‐ray stress analysis to study samples under constrained measurement conditions.

Description: A pseudosymmetric description of the crystal lattice derived from a single wide‐angle Kikuchi pattern can have several causes. The small size (〈15%) of the sector covered by an electron backscatter diffraction pattern, the limited precision of the projection centre position and the Kikuchi band definition are crucial. Inherent pseudosymmetries of the crystal lattice and/or structure also pose a challenge in the analysis of Kikuchi patterns. To eliminate experimental errors as much as possible, simulated Kikuchi patterns of 350 phases have been analysed using the software CALM [Nolze et al. (2021). J. Appl. Cryst.54, 1012–1022] in order to estimate the frequency of and reasons for pseudosymmetric crystal lattice descriptions. Misinterpretations occur in particular when the atomic scattering factors of non‐equivalent positions are too similar and reciprocal‐lattice points are systematically missing. As an example, a pseudosymmetry prediction depending on the elements involved is discussed for binary AB compounds with B1 and B2 structure types. However, since this is impossible for more complicated phases, this approach cannot be directly applied to compounds of arbitrary composition and structure.

Description: Distinguishing between actual and apparent pseudosymmetry in electron backscatter diffraction patterns is nearly impossible, even for simulated patterns. However, the resulting lattice is always a superlattice as long as the signal is not a superposition of multiple patterns.

Description: Finite size effects in partial pair distribution functions generate artefacts in the scattering structure factor and scattering intensity. It is shown how they can be overcome using a binned version of the Debye scattering equation. Accordingly, reverse Monte Carlo simulations are used for very small nanoparticles of LaFeO3 with diameters below 10 nm to simultaneously analyse X‐ray scattering data and extended X‐ray absorption fine structure spectra at the La K and Fe K edges. The structural information obtained is consistent regarding local structure and long‐range order.

Description: Computing scattering intensity using the Debye scattering equation after binning interatomic distances avoids finite size artefacts and is efficient enough for simultaneous refinement of scattering data and extended X‐ray absorption spectra by reverse Monte Carlo simulations.

Description: A band width determination using the first derivative of the band profile systematically underestimates the true Bragg angle. Corrections are proposed to compensate for the resulting offset Δa/a of the mean lattice parameters derived from as many Kikuchi band widths as possible. For dynamically simulated Kikuchi patterns, Δa/a can reach up to 8% for phases with a high mean atomic number Z, whereas for much more common low‐Z materials the offset decreases linearly. A predicted offset Δa/a = f(Z) is therefore proposed, which also includes the unit‐cell volume and thus takes into account the packing density of the scatterers in the material. Since Z is not always available for unknown phases, its substitution by Zmax, i.e. the atomic number of the heaviest element in the compound, is still acceptable for an approximate correction. For simulated Kikuchi patterns the offset‐corrected lattice parameter deviation is Δa/a 〈 1.5%. The lattice parameter ratios, and the angles α, β and γ between the basis vectors, are not affected at all.

Description: Automatically determined band widths in simulated backscatter Kikuchi patterns exhibit differences from the double Bragg angles that correlate with the scatterer density. Corrections are proposed to compensate for this.

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The high‐intensity time‐of‐flight (TOF) neutron diffractometer POWTEX for powder and texture analysis is currently being built prior to operation in the eastern guide hall of the research reactor FRM II at Garching close to Munich, Germany. Because of the world‐wide 〈sup〉3〈/sup〉He crisis in 2009, the authors promptly initiated the development of 〈sup〉3〈/sup〉He‐free detector alternatives that are tailor‐made for the requirements of large‐area diffractometers. Herein is reported the 2017 enterprise to operate one mounting unit of the final POWTEX detector on the neutron powder diffractometer POWGEN at the Spallation Neutron Source located at Oak Ridge National Laboratory, USA. As a result, presented here are the first angular‐ and wavelength‐dependent data from the POWTEX detector, unfortunately damaged by a 50〈italic〉g〈/italic〉 shock but still operating, as well as the efforts made both to characterize the transport damage and to successfully recalibrate the voxel positions in order to yield nonetheless reliable measurements. Also described is the current data reduction process using the 〈italic〉PowderReduceP2D〈/italic〉 algorithm implemented in 〈italic〉Mantid〈/italic〉 [Arnold 〈italic〉et al.〈/italic〉 (2014). 〈italic〉Nucl. Instrum. Methods Phys. Res. A〈/italic〉, 〈bold〉764〈/bold〉, 156–166]. The final part of the data treatment chain, namely a novel multi‐dimensional refinement using a modified version of the 〈italic〉GSAS‐II〈/italic〉 software suite [〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?aj5212"〉Toby & Von Dreele (2013). 〈italic〉J. Appl. Cryst.〈/italic〉〈bold〉46〈/bold〉, 544–549〈/ext-link〉], is compared with a standard data treatment of the same event data conventionally reduced as TOF diffraction patterns and refined with the unmodified version of 〈italic〉GSAS‐II〈/italic〉. This involves both determining the instrumental resolution parameters using POWGEN's powdered diamond standard sample and the refinement of a friendly‐user sample, BaZn(NCN)〈sub〉2〈/sub〉. Although each structural parameter on its own looks similar upon comparing the conventional (1D) and multi‐dimensional (2D) treatments, also in terms of precision, a closer view shows small but possibly significant differences. For example, the somewhat suspicious proximity of the 〈italic〉a〈/italic〉 and 〈italic〉b〈/italic〉 lattice parameters of BaZn(NCN)〈sub〉2〈/sub〉 crystallizing in 〈italic〉Pbca〈/italic〉 as resulting from the 1D refinement (0.008 Å) is five times less pronounced in the 2D refinement (0.038 Å). Similar features are found when comparing bond lengths and bond angles, 〈italic〉e.g.〈/italic〉 the two N—C—N units are less differently bent in the 1D results (173 and 175°) than in the 2D results (167 and 173°). The results are of importance not only for POWTEX but also for other neutron TOF diffractometers with large‐area detectors, like POWGEN at the SNS or the future DREAM beamline at the European Spallation Source.〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The first real‐world neutron diffraction data have been collected with one of the POWTEX detectors (FRM II, Garching, Germany) mounted for testing at the Spallation Neutron Source (Oak Ridge National Laboratory, USA). They allow for angular‐ and wavelength‐dispersive Rietveld refinement using a modified version of 〈italic〉GSAS‐II〈/italic〉.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2tu5033:jcr2tu5033-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The paper by Gopalan [〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?ib5086"〉(2020). 〈italic〉Acta Cryst.〈/italic〉 A〈bold〉76〈/bold〉, 318–327〈/ext-link〉] presented an enumeration of the 41 physical quantity types in non‐relativistic physics, in arbitrary dimensions, based on the formalism of Clifford algebra. Gopalan considered three antisymmetries: spatial inversion, 〈overline〉1〈/overline〉, time reversal, 1′, and wedge reversion, 1〈sup〉†〈/sup〉. A consideration of the set of all seven antisymmetries (〈overline〉1〈/overline〉, 1′, 1〈sup〉†〈/sup〉, 1′〈sup〉†〈/sup〉, 〈overline〉1〈/overline〉〈sup〉†〈/sup〉, 〈overline〉1〈/overline〉′, 〈overline〉1〈/overline〉′〈sup〉†〈/sup〉) leads to an extension of the results obtained by Gopalan. It is shown that there are 51 types of physical quantities with distinct symmetry properties in total.〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉It is shown that there are 51 types of physical quantities in arbitrary dimensions with distinct transformations by wedge reversion symmetry. In the paper by 〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?ib5086"〉Gopalan [(2020). 〈italic〉Acta Cryst.〈/italic〉 A〈bold〉76〈/bold〉, 318–327]〈/ext-link〉 only 41 types were enumerated.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:20532733:aya2ib5117:aya2ib5117-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉

Description: The derivation of a crystal structure and its phase‐specific parameters from a single wide‐angle backscattered Kikuchi diffraction pattern requires reliable extraction of the Bragg angles. By means of the first derivative of the lattice profile, an attempt is made to determine fully automatically and reproducibly the band widths in simulated Kikuchi patterns. Even under such ideal conditions (projection centre, wavelength and lattice plane traces are perfectly known), this leads to a lattice parameter distribution whose mean shows a linear offset that correlates with the mean atomic number Z of the pattern‐forming phase. The consideration of as many Kikuchi bands as possible reduces the errors that typically occur if only a single band is analysed. On the other hand, the width of the resulting distribution is such that higher image resolution of diffraction patterns, employing longer wavelengths to produce wider bands or the use of higher interference orders is less advantageous than commonly assumed.

Description: The lattice parameters of more than 350 phases have been determined from simulated backscatter Kikuchi patterns. The deviations correlating with the mean atomic number correspond to those observed previously for experimental electron backscatter diffraction patterns.

Description: Serial crystallography experiments produce massive amounts of experimental data. Yet in spite of these large‐scale data sets, only a small percentage of the data are useful for downstream analysis. Thus, it is essential to differentiate reliably between acceptable data (hits) and unacceptable data (misses). To this end, a novel pipeline is proposed to categorize the data, which extracts features from the images, summarizes these features with the `bag of visual words' method and then classifies the images using machine learning. In addition, a novel study of various feature extractors and machine learning classifiers is presented, with the aim of finding the best feature extractor and machine learning classifier for serial crystallography data. The study reveals that the oriented FAST and rotated BRIEF (ORB) feature extractor with a multilayer perceptron classifier gives the best results. Finally, the ORB feature extractor with multilayer perceptron is evaluated on various data sets including both synthetic and experimental data, demonstrating superior performance compared with other feature extractors and classifiers.

Description: A machine learning method for distinguishing good and bad images in serial crystallography is presented. To reduce the computational cost, this uses the oriented FAST and rotated BRIEF feature extraction method from computer vision to detect image features, followed by a multilayer perceptron (neural network) to classify the images.

Description: Since high‐pressure devices have been used at synchrotron facilities, accurate determination of pressure and temperature in the sample has been a crucial objective, particularly for experiments that simulate the Earth's interior. However, in some cases using a thermocouple may have a high likelihood of failure or is incompatible with a high‐pressure assembly. To address these challenges and similar issues, we aim to expand a previously proposed solution: to jointly estimate pressure and temperature (〈italic〉PT〈/italic〉) through 〈italic〉in situ〈/italic〉 X‐ray diffraction, to cover a wider range of internal 〈italic〉PT〈/italic〉 calibrants tested over larger 〈italic〉PT〈/italic〉 ranges. A modifiable Python‐based software is offered to quickly obtain results. To achieve these aims, 〈italic〉in situ〈/italic〉 large volume press experiments are performed on pellets of intimately mixed powders of a halide (NaCl, KCl, KBr, CsCl) or MgO and a metal (Pt, Re, Mo, W, Ni) in the pressure range 3–11 GPa and temperature range 300–1800 K. Although the pressure range was chosen for practical reasons, it also covers an equally important depth range in the Earth (down to 350 km) for geoscience studies. A thermocouple was used to validate the 〈italic〉PT〈/italic〉 conditions in the cell assemblies. The key results show that choosing the appropriate calibrant materials and using a joint 〈italic〉PT〈/italic〉 estimation can yield surprisingly small uncertainties (〈italic〉i.e.〈/italic〉 〈±0.1 GPa and 〈±50 K). This development is expected to benefit current and future research at extreme conditions, as other materials with high compressibility or high thermal pressure, stable over large 〈italic〉PT〈/italic〉 ranges, may be discovered and used as 〈italic〉PT〈/italic〉 calibrants.〈/p〉

Description: Research in high‐pressure devices, such as the diamond anvil cell and the large volume press, requires knowledge of the pressure and temperature in the sample. Here, a large volume press and an internal resistive heater were used to generate high load and heat to various combinations of intimately mixed powders of materials. X‐ray diffraction and custom software were used to jointly estimate the pressures and temperatures in the samples and establish calibrants for 〈italic〉in situ〈/italic〉 experiments at extreme conditions.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2vl5008:jsy2vl5008-fig-0001"〉

Description: https://gitlab.desy.de/robert.farla/eoscross

Description: X‐ray diffraction with high spatial resolution is commonly used to characterize (poly)crystalline samples with, for example, respect to local strain, residual stress, grain boundaries and texture. However, the investigation of highly absorbing samples or the simultaneous assessment of high‐Z materials by X‐ray fluorescence have been limited due to the utilization of low photon energies. Here, a goniometer‐based setup implemented at the P06 beamline of PETRA III that allows for micrometre spatial resolution with a photon energy of 35 keV and above is reported. A highly focused beam was achieved by using compound refractive lenses, and high‐precision sample manipulation was enabled by a goniometer that allows up to 5D scans (three rotations and two translations). As experimental examples, the determination of local strain variations in martensitic steel samples with micrometre spatial resolution, as well as the simultaneous elemental distribution for high‐Z materials in a thin‐film solar cell, are demonstrated. The proposed approach allows users from the materials‐science community to determine micro‐structural properties even in highly absorbing samples.

Description: A demonstration of high‐resolution micro X‐ray diffraction at high photon energies for highly absorbing samples.

Description: This paper presents the Domain Auto Finder (DAFi) program and its application to the analysis of single‐crystal X‐ray diffraction (SC‐XRD) data from multiphase mixtures of microcrystalline solids and powders. Superposition of numerous reflections originating from a large number of single‐crystal domains of the same and/or different (especially unknown) phases usually precludes the sorting of reflections coming from individual domains, making their automatic indexing impossible. The DAFi algorithm is designed to quickly find subsets of reflections from individual domains in a whole set of SC‐XRD data. Further indexing of all found subsets can be easily performed using widely accessible crystallographic packages. As the algorithm neither requires a priori crystallographic information nor is limited by the number of phases or individual domains, DAFi is powerful software to be used for studies of multiphase polycrystalline and microcrystalline (powder) materials. The algorithm is validated by testing on X‐ray diffraction data sets obtained from real samples: a multi‐mineral basalt rock at ambient conditions and products of the chemical reaction of yttrium and nitrogen in a laser‐heated diamond anvil cell at 50 GPa. The high performance of the DAFi algorithm means it can be used for processing SC‐XRD data online during experiments at synchrotron facilities.

Description: This paper presents the Domain Auto Finder (DAFi) program and its application to the analysis of single‐crystal X‐ray diffraction (SC‐XRD) data from multiphase mixtures of microcrystalline solids and powders. The DAFi algorithm is designed to quickly find subsets of reflections from individual domains in a whole set of SC‐XRD data and neither requires a priori crystallographic information nor is limited by the number of phases or individual domains.

Description: A newly designed setup to perform steady‐state X‐ray excited optical luminescence (XEOL) spectroscopy and simultaneous XEOL and X‐ray absorption spectroscopy characterization at beamline P65 of PETRA III is described. The XEOL setup is equipped with a He‐flow cryostat and state‐of‐the‐art optical detection system, which covers a wide wavelength range of 300–1700 nm with a high spectral resolution of 0.4 nm. To demonstrate the setup functioning, low‐temperature XEOL studies on polycrystalline CuInSe2 thin film, single‐crystalline GaN thin film and single‐crystalline ZnO bulk semiconductor samples are performed.

Description: X‐ray excited optical luminescence (XEOL) spectroscopy is increasingly important to understand the interplay between the optical properties, structure and chemical composition, providing insights into the mechanism of radiative recombination for a wide range of materials. This study demonstrates a newly implemented setup to perform steady‐state XEOL and simultaneous XEOL and XAFS characterizations at beamline P65 of PETRA III.

Description: Full‐field X‐ray nanoimaging is a widely used tool in a broad range of scientific areas. In particular, for low‐absorbing biological or medical samples, phase contrast methods have to be considered. Three well established phase contrast methods at the nanoscale are transmission X‐ray microscopy with Zernike phase contrast, near‐field holography and near‐field ptychography. The high spatial resolution, however, often comes with the drawback of a lower signal‐to‐noise ratio and significantly longer scan times, compared with microimaging. In order to tackle these challenges a single‐photon‐counting detector has been implemented at the nanoimaging endstation of the beamline P05 at PETRA III (DESY, Hamburg) operated by Helmholtz‐Zentrum Hereon. Thanks to the long sample‐to‐detector distance available, spatial resolutions of below 100 nm were reached in all three presented nanoimaging techniques. This work shows that a single‐photon‐counting detector in combination with a long sample‐to‐detector distance allows one to increase the time resolution for in situ nanoimaging, while keeping a high signal‐to‐noise level.

Description: A direct photon‐counting detector was used for different nanoimaging phase contrast techniques, increasing the temporal resolution.

Description: X‐ray crystallography has witnessed a massive development over the past decade, driven by large increases in the intensity and brightness of X‐ray sources and enabled by employing high‐frame‐rate X‐ray detectors. The analysis of large data sets is done via automatic algorithms that are vulnerable to imperfections in the detector and noise inherent with the detection process. By improving the model of the behaviour of the detector, data can be analysed more reliably and data storage costs can be significantly reduced. One major requirement is a software mask that identifies defective pixels in diffraction frames. This paper introduces a methodology and program based upon concepts of machine learning, called robust mask maker (RMM), for the generation of bad‐pixel masks for large‐area X‐ray pixel detectors based on modern robust statistics. It is proposed to discriminate normally behaving pixels from abnormal pixels by analysing routine measurements made with and without X‐ray illumination. Analysis software typically uses a Bragg peak finder to detect Bragg peaks and an indexing method to detect crystal lattices among those peaks. Without proper masking of the bad pixels, peak finding methods often confuse the abnormal values of bad pixels in a pattern with true Bragg peaks and flag such patterns as useful regardless, leading to storage of enormous uninformative data sets. Also, it is computationally very expensive for indexing methods to search for crystal lattices among false peaks and the solution may be biased. This paper shows how RMM vastly improves peak finders and prevents them from labelling bad pixels as Bragg peaks, by demonstrating its effectiveness on several serial crystallography data sets.

Description: Attention is focused on perhaps the biggest bottleneck in data analysis for serial crystallography at X‐ray free‐electron lasers, which has not received serious enough examination to date. An effective and reliable way is presented to identify anomalies in detectors, using machine learning and recently developed mathematical methods in the field referred to as `robust statistics'. image

Description: Machine learning (ML) has received enormous attention in science and beyond. Discussed here are the status, opportunities, challenges and limitations of ML as applied to X‐ray and neutron scattering techniques, with an emphasis on surface scattering. Typical strategies are outlined, as well as possible pitfalls. Applications to reflectometry and grazing‐incidence scattering are critically discussed. Comment is also given on the availability of training and test data for ML applications, such as neural networks, and a large reflectivity data set is provided as reference data for the community.

Description: The status, opportunities, challenges and limitations of machine learning are discussed as applied to X‐ray and neutron scattering techniques, with an emphasis on surface scattering.

Description: The storage ring upgrade of the European Synchrotron Radiation Facility makes ESRF–EBS the most brilliant high‐energy fourth‐generation light source, enabling in situ studies with unprecedented time resolution. While radiation damage is commonly associated with degradation of organic matter such as ionic liquids or polymers in the synchrotron beam, this study clearly shows that highly brilliant X‐ray beams readily induce structural changes and beam damage in inorganic matter, too. Here, the reduction of Fe3+ to Fe2+ in iron oxide nanoparticles by radicals in the brilliant ESRF–EBS beam, not observed before the upgrade, is reported. Radicals are created due to radiolysis of an EtOH–H2O mixture with low EtOH concentration (∼6 vol%). In light of extended irradiation times during insitu experiments in, for example, battery and catalysis research, beam‐induced redox chemistry needs to be understood for proper interpretation of insitu data.

Description: With the increased brilliance at the European Research Facility–Extremely Brilliant Source (ESRF–EBS), a beam‐induced reduction of non‐stochiometric iron oxide nanoparticles (almost maghemite composition) to magnetite was observed in a mixture of ethanol and water with low ethanol concentration.

Description: Small‐angle scattering is an increasingly common method for characterizing particle ensembles in a wide variety of sample types and for diverse areas of application. SASfit has been one of the most comprehensive and flexible curve‐fitting programs for decades, with many specialized tools for various fields. Here, a selection of enhancements and additions to the SASfit program are presented that may be of great benefit to interested and advanced users alike: (a) further development of the technical basis of the program, such as new numerical algorithms currently in use, a continuous integration practice for automated building and packaging of the software, and upgrades on the plug‐in system for easier adoption by third‐party developers; (b) a selection of new form factors for anisotropic scattering patterns and updates to existing form factors to account for multiple scattering effects; (c) a new type of a very flexible distribution called metalog [Keelin (2016). Decis. Anal.13, 243–277], and regularization techniques such as the expectation‐maximization method [Dempster et al. (1977). J. R. Stat. Soc. Ser. B (Methodological), 39, 1–22; Richardson (1972) J. Opt. Soc. Am.62, 55; Lucy (1974). Astron. J.79, 745; Lucy (1994). Astron. Astrophys.289, 983–994], which is compared with fits of analytical size distributions via the non‐linear least‐squares method; and (d) new structure factors, especially for ordered nano‐ and meso‐scaled material systems, as well as the Ornstein–Zernike solver for numerical determination of particle interactions and the resulting structure factor when no analytical solution is available, with the aim of incorporating its effects into the small‐angle scattering intensity model used for fitting with SASfit.

Description: Recent enhancements and additions to the SASfit program are discussed, including anisotropic scattering models, flexible distributions, regularization techniques such as the expectation‐maximization method, and new structure factors, especially for ordered nano‐ and meso‐scaled material. The Ornstein–Zernike solver for numerical structure factors is also introduced. image

Description: A modulation of intensity with zero effort (MIEZE) setup is proposed for high‐resolution neutron spectroscopy at momentum transfers up to 3 Å〈sup〉−1〈/sup〉, energy transfers up to 20 meV and an energy resolution in the microelectronvolt range using both thermal and cold neutrons. MIEZE has two prominent advantages compared with classical neutron spin echo. The first is the possibility to investigate spin‐depolarizing samples or samples in strong magnetic fields without loss of signal amplitude and intensity. This allows for the study of spin fluctuations in ferromagnets, and facilitates the study of samples with strong spin‐incoherent scattering. The second advantage is that multi‐analyzer setups can be implemented with comparatively little effort. The use of thermal neutrons increases the range of validity of the spin‐echo approximation towards shorter spin‐echo times. In turn, the thermal MIEZE option for greater ranges (TIGER) closes the gap between classical neutron spin‐echo spectroscopy and conventional high‐resolution neutron spectroscopy techniques such as triple‐axis, time‐of‐flight and back‐scattering. To illustrate the feasibility of TIGER, this paper presents the details of its implementation at the RESEDA beamline at FRM II by means of an additional velocity selector, polarizer and analyzer.

Description: A modulation of intensity with zero effort (MIEZE) setup is proposed for high‐resolution neutron spectroscopy at momentum transfers up to 3 Å〈sup〉−1〈/sup〉, energy transfers up to 20 meV and an energy resolution in the microelectronvolt range using both thermal and cold neutrons.

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Penetrating, high‐energy synchrotron X‐rays are in strong demand, particularly for high‐pressure research in physics, chemistry and geosciences, and for materials engineering research under less extreme conditions. A new high‐energy wiggler beamline P61 has been constructed to meet this need at PETRA III in Hamburg, Germany. The first part of the paper offers an overview of the beamline front‐end components and beam characteristics. The second part describes the performance of the instrumentation and the latest developments at the P61B endstation. Particular attention is given to the unprecedented high‐energy photon flux delivered by the ten wigglers of the PETRA III storage ring and the challenges faced in harnessing this amount of flux and heat load in the beam. Furthermore, the distinctiveness of the world's first six‐ram Hall‐type large‐volume press, Aster‐15, at a synchrotron facility is described for research with synchrotron X‐rays. Additionally, detection schemes, experimental strategies and preliminary data acquired using energy‐dispersive X‐ray diffraction and radiography techniques are presented.〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The operation of the P61B endstation large‐volume press and optics of P61 are reviewed. The instrumentation at P61B, including the large‐volume press, detection systems and data acquisition for 〈italic〉in situ〈/italic〉 high‐pressure experiments are described.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2ju5040:jsy2ju5040-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Studying electron‐ and X‐ray‐induced electron cascades in solids is essential for various research areas at free‐electron laser facilities, such as X‐ray imaging, crystallography, pulse diagnostics or X‐ray‐induced damage. To better understand the fundamental factors that define the duration and spatial size of such cascades, this work investigates the electron propagation in ten solids relevant for the applications of X‐ray lasers: Au, B〈sub〉4〈/sub〉C, diamond, Ni, polystyrene, Ru, Si, SiC, Si〈sub〉3〈/sub〉N〈sub〉4〈/sub〉 and W. Using classical Monte Carlo simulation in the atomic approximation, we study the dependence of the cascade size on the incident electron or photon energy and on the target parameters. The results show that an electron‐induced cascade is systematically larger than a photon‐induced cascade. Moreover, in contrast with the common assumption, the maximal cascade size does not necessarily coincide with the electron range. It was found that the cascade size can be controlled by careful selection of the photon energy for a particular material. Photon energy, just above an ionization potential, can essentially split the absorbed energy between two electrons (photo‐ and Auger), reducing their initial energy and thus shrinking the cascade size. This analysis suggests a way of tailoring the electron cascades for applications requiring either small cascades with a high density of excited electrons or large‐spread cascades with lower electron densities.〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Studying electron‐ and X‐ray‐induced electron cascades in solids is essential for various research areas at free‐electron laser facilities, such as X‐ray imaging, crystallography, pulse diagnostics or X‐ray‐induced damage. To better understand the fundamental factors that define the duration and spatial size of such cascades, this work investigates the electron propagation in ten solids relevant for the applications of X‐ray lasers. Using classical Monte Carlo simulation in the atomic approximation, the dependence of the cascade size on the incident electron or photon energy and on the target parameters is studied.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2gb5123:jsy2gb5123-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉

Description: In Bragg coherent diffractive imaging, the precise location of the measured crystals in the interior of the sample is usually missing. Obtaining this information would help the study of the spatially dependent behavior of particles in the bulk of inhomogeneous samples, such as extra‐thick battery cathodes. This work presents an approach to determine the 3D position of particles by precisely aligning them at the instrument axis of rotation. In the test experiment reported here, with a 60 µm‐thick LiNi0.5Mn1.5O4 battery cathode, the particles were located with a precision of 20 µm in the out‐of‐plane direction, and the in‐plane coordinates were determined with a precision of 1 µm.

Description: A method to determine the 3D position of particles in Bragg coherent diffractive imaging experiments is proposed. Test measurements demonstrate depth‐resolution with a precision of 20 µm along the beam. image

Description: A split‐and‐delay unit for the extreme ultraviolet and soft X‐ray spectral regions has been built which enables time‐resolved experiments at beamlines FL23 and FL24 at the Free‐electron LASer in Hamburg (FLASH). Geometric wavefront splitting at a sharp edge of a beam splitting mirror is applied to split the incoming soft X‐ray pulse into two beams. Ni and Pt coatings at grazing incidence angles have been chosen in order to cover the whole spectral range of FLASH2 and beyond, up to hν = 1800 eV. In the variable beam path with a grazing incidence angle of ϑd = 1.8°, the total transmission (T) ranges are of the order of 0.48 〈 T 〈 0.84 for hν 〈 100 eV and T 〉 0.50 for 100 eV 〈 hν 〈 650 eV with the Ni coating, and T 〉 0.06 for hν 〈 1800 eV for the Pt coating. For a fixed beam path with a grazing incidence angle of ϑf = 1.3°, a transmission of T 〉 0.61 with the Ni coating and T 〉 0.23 with a Pt coating is achieved. Soft X‐ray pump/soft X‐ray probe experiments are possible within a delay range of −5 ps 〈 Δt 〈 +18 ps with a nominal time resolution of tr = 66 as and a measured timing jitter of tj = 121 ± 2 as. First experiments with the split‐and‐delay unit determined the averaged coherence time of FLASH2 to be τc = 1.75 fs at λ = 8 nm, measured at a purposely reduced coherence of the free‐electron laser.

Description: The properties of the recently installed split‐and‐delay unit at beamlines FL23 and FL24 at FLASH2 are presented. Its operational range, performance parameters and results of a first experiment are described. image

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉〈italic〉XDSGUI〈/italic〉 is a lightweight graphical user interface (GUI) for the 〈italic〉XDS〈/italic〉, 〈italic〉SHELX〈/italic〉 and 〈italic〉ARCIMBOLDO〈/italic〉 program packages that serves both novice and experienced users in obtaining optimal processing and phasing results for X‐ray, neutron and electron diffraction data. The design of the program enables data processing and phasing without command line usage, and supports advanced command flows in a simple user‐modifiable and user‐extensible way. The GUI supplies graphical information based on the tabular log output of the programs, which is more intuitive, comprehensible and efficient than text output can be.〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉A customizable stateless graphical user interface simplifies the processing, analysis and phasing of diffraction data.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2yr5110:jcr2yr5110-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉

Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉〈italic〉INSIGHT〈/italic〉 is a Python‐based software tool for processing and reducing 2D grazing‐incidence wide‐ and small‐angle X‐ray scattering (GIWAXS/GISAXS) data. It offers the geometric transformation of the 2D GIWAXS/GISAXS detector image to reciprocal space, including vectorized and parallelized pixel‐wise intensity correction calculations. An explicit focus on efficient data management and batch processing enables full control of large time‐resolved synchrotron and laboratory data sets for a detailed analysis of kinetic GIWAXS/GISAXS studies of thin films. It processes data acquired with arbitrarily rotated detectors and performs vertical, horizontal, azimuthal and radial cuts in reciprocal space. It further allows crystallographic indexing and GIWAXS pattern simulation, and provides various plotting and export functionalities. Customized scripting offers a one‐step solution to reduce, process, analyze and export findings of large 〈italic〉in situ〈/italic〉 and 〈italic〉operando〈/italic〉 data sets.〈/p〉

Description: The PERCIVAL detector is a CMOS imager designed for the soft X‐ray regime at photon sources. Although still in its final development phase, it has recently seen its first user experiments: ptychography at a free‐electron laser, holographic imaging at a storage ring and preliminary tests on X‐ray photon correlation spectroscopy. The detector performed remarkably well in terms of spatial resolution achievable in the sample plane, owing to its small pixel size, large active area and very large dynamic range; but also in terms of its frame rate, which is significantly faster than traditional CCDs. In particular, it is the combination of these features which makes PERCIVAL an attractive option for soft X‐ray science.

Description: After some brief comments on the measurement of temperature and electrical conductivity in oceanography, the measuring probes suitable for in situ measurements are reviewed. Then the method of measurement is described using an improved model of the so-called bathysonde. This makes possible a continuous recording of temperature, conductivity, and pressure with high accuracy in great depths. Measurements from the Skagerrak and from the Mediterranean are considered. Finally, problems are discussed which arise when evaluating electrical conductivity and temperature from in situ measurements.

Description: Observations of temperature and electrical conductivity by a recording in situ salinometer are discussed in respect oo the physical processes connected with the renewal of North Atlantic deep water. The measured fine structure of the layering suggests that the downward movement of cooled surface water is combined with horizontal mixing down to more than 1000 m depth. This is confirmed by the existence of water elements which have slightly different temperature and salinity. Curves of temperature, conductivity, and salinity and T-S diagrams are shown.

Description: Reviews the major deep-sea expeditions from that of HMS Challenger in 1873 to 1960. Emphasis is on the increasing sophistication of vessels and equipment used, the growth of international cooperation and the proliferation of branches of oceanographic studies. Arctic work by Nansen, Sverdrup, recent Soviet scientists, the Scripps Institution and the Norpac program are mentioned (maps). Vessels used during the period and their activities are tabulated. Two maps show cruises of the Atlantic Polar Front Program Jan-Dec 1958 in the Greenland and Barents Seas

Description: This chapter throws the attention on the methods of sampling the benthos, which has been directed mainly to the operation of the gear at sea and to such other factors as may influence sampling methods. This chapter briefly traces the history of benthos investigations, and then considers how far the instruments now available provide with the quantitative samples. It also shows how advances in other fields, such as radio-position finding, sonar and electronic equipment have increased the precision of our sampling methods. Moreover, sorting and sieving on board ship can be considered and brief mention made of methods of soil analysis and biomass determination. This chapter discusses the two possible approaches for the development of satisfactory quantitative collecting methods. First the improvement of the grab-type of instrument, with particular reference to increasing penetration and the perfection of release gear for the open sea, and second; the development of a wide-core sampler, like the Knudsen sampler, which works satisfactorily in the open sea. Moreover, statistics need to be even more fully applied, where collecting methods justify them, to such problems as the degree and scale of dispersion of individuals.

Description: Fecal excretion of calcium of endogenous origin has been measured in 52 studies in 33 adult human subjects, under full metabolic balance conditions. Endogenous fecal calcium averaged .130 ± .047 Gm. per day, was positively correlated with both fecal calcium and dietary calcium and was inversely correlated with fractional calcium absorption. The regression line relating endogenous fecal calcium with fractional absorption allowed estimates for total intestinal calcium secretion at both zero and 100 per cent absorption; from these estimates it was calculated that approximately 15 per cent of the total intestinal calcium secretion was nonabsorbable even under conditions when dietary calcium was completely absorbed (presumably because it enters the gut caudad of the absorption sites). Total intestinal calcium secretion, calculated so as to allow for this nonabsorbable fraction, averaged .194 ± .073 Gm. per day, and could not be correlated with age, sex, dietary calcium intake, caloric intake, urine calcium, or plasma calcium. A weak correlation with body size (weight, surface area) was observed. The conditions studied were principally disorders of bone, calcium, and parathyroid metabolism, and in most of them total intestinal calcium secretion appeared identical. The sole exception was seen in two studies on a patient with acromegaly, in which total intestinal calcium secretion was over twice the mean value for the remainder of the group.

Description: Highlights • Coupled geomicrobiology and geomechanics to investigate alterations in shales. • Microbial process can alter the mechanics, mineralogy, and microstructure of shales. • Biogeomechanical alterations reduced permeability by 93% and porosity by 38%. • Microfractures in shales can be sealed during biogeomechanical alterations. • Biogeomechanical alterations can enhance CO2 storage security and caprock integrity. Shales have been a major focus of the energy industry over the past few decades. Recently, there is a paradigm shift in the energy industry to low-carbon solutions, such as carbon capture and storage (CCS), to mitigate global warming caused by carbon footprint. The problem of long-term safe and efficient geological CO2 storage (GCS) and caprock integrity are some of the major challenges impeding large-scale CCS application. Here, we investigated how localized and bulk biogeomechanical alterations could potentially impact caprock integrity and CO2 storage in depleted shale reservoirs. We cultivated the shale core samples (containing both artificial-induced and pre-existing natural fractures) with a cultured microbial solution at specific temperature, time, and growth conditions. Subsequently, we obtain the properties of the fractured shale rock samples impacted by this microbial process. We investigate the impact of the mechanical responses due to the microbial process, on the long-term integrity and storage potentials of CO2 in shale reservoirs. Our results suggest that in Eagle Ford, Marcellus, and Niobrara shale formations, microbially-altered local and bulk mechanical properties can enhance the long-term caprock integrity and CO2 storage security by: (1.) Increasing the localized (+19% unconfined compressive strength, −20% Poisson’s ratio, +35% fracture toughness) and bulk (+50% unconfined compressive strength, −13% Poisson’s ratio) mechanical integrity; (2.) Decreasing permeability (−93%) and porosity (−38%); (3.) Altering the clay mineral content (−56%), calcite content (+21%), and morphology; (4.) Occluding microfractures; and (5.) Mitigating any potential leakage to the atmosphere through the caprock. This study considers the heterogeneity of shales, and provide valuable insights and viable assessment in solving the long-term GCS application in depleted hydrocarbon reservoirs.

Description: Highlights • Internal diffusion often controls the releases of flame retardants from microplastics. • Fick's law can describe the releases of additive flame retardants from microplastics. • Effects of temperature, plastic matrix, and particle size can be predicted by models. • Weathering of plastic matrix can greatly accelerate the releases of flame retardants. • Low fluxes of flame retardants released from microplastics pose no risk to ecosystem. The widely occurring debris of plastic materials, particularly microplastics, can be an important source of flame retardants, which are one of the main groups of chemicals added in the production of plastics from polymers. This review provides an overview on the use of flame retardants in plastic manufacturing, the kinetics of their releases from microplastics, the factors affecting their releases, and the potential environmental and ecosystem risk of the released flame retardants. The releases of flame retardants from microplastics typically involve three major steps: internal diffusion, mass transfer across the plastic-medium boundary layer, and diffusion in the environmental medium, while the overall mass transfer rate is commonly controlled by diffusion within the plastic matrix. The overall release rates of additive flame retardants from microplastics, which are dependent on the particle's geometry, can often be described by the Fick's Law. The physicochemical properties of flame retardant and plastic matrix, and ambient temperature all affect the release rate, which can be predicted with empirical and semi-empirical models. Weathering of microplastics, which reduces their particle sizes and likely disrupts their polymeric structures, can greatly accelerate the releases of flame retardants. Flame retardants could also be released directly from the microplastics ingested by aquatic organisms and seabirds, with physical and chemical digestion in the bodies significantly enhancing their release rates. Limited by the extremely slow diffusion in plastic matrices, the fluxes of flame retardants released from microplastics are very low, and are unlikely to pose significant risk to the ecosystem in general. More research is needed to characterize the mechanical, chemical, and biological processes that degrade microplastics and accelerate the releases of flame retardants and to model their release kinetics from microplastics, while efforts should also be made to develop environmentally benign flame retardants to ultimately minimize their risk to the environment and ecosystem.

Description: The ubiquitous use of microplastics and their release into the environment especially the water bodies by anthropogenic/industrial activities are the major resources for microplastic contamination. The widespread and often injudicious use of antimicrobial drugs or antibiotics in various sectors including human health and hygiene, agriculture, animal husbandry and food industries are leading to the release of antibiotics into the wastewater/sewage and other water bodies, particularly in urban setups and thus leads to the antimicrobial resistance (AMR) in the microbes. Microplastics are emerging as the hubs as well as effective carriers of these microbial pathogens beside their AMR-genes (ARGs) in marine, freshwater, sewage/wastewater, and urban river ecosystems. These drug resistant bacteria interact with microplastics forming synthetic plastispheres, the ideal niche for biofilm formations which in turn facilitates the transfer of ARGs via horizontal gene transfer and further escalates the occurrence and levels of AMR. Microplastic-associated AMR is an emerging threat for human health and healthcare besides being a challenge for the research community for effective management/address of this menace. In this review, we encompass the increasing prevalence of microplastics in environment, emphasizing mainly on water environments, how they act as centers and vectors of microbial pathogens with their associated bacterial assemblage compositions and ultimately lead to AMR. It further discusses the mechanistic insights on how microplastics act as hosts of biofilms (creating the plastisphere). We have also presented the modern toolbox used for microplastic-biofilm analyses. A review on potential strategies for addressing microplastic-associated AMR is given with recent success stories, challenges and future prospects.

Description: In the present work, an untargeted metabolomic approach based on ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry (UHPLC–HRMS) was performed for the discrimination of 25 accessions of white quinoa from main production zones of Peru. From the fingerprint analysis, a total of eighty-four metabolites were tentatively identified based on their accurate mass measurements and MS/MS data. Among them, forty-six compounds are reported here for the first time in C. quinoa (eight phenolics, one ecdysteroid, and thirty-seven saponins), twenty-four of them would correspond to new structures. Principal component analysis (PCA) and orthogonal partial least square discriminant analysis (OPLS-DA) were used to analyze the metabolomic data. As a result, the samples were distributed into two groups. The compounds contributing to the differences between these groups were identified by S-plot analysis.

Description: Highlights • UAV-based thermal imaging allows precise mapping of diffusive thermal water discharge. • High tidal ranges affect fluid flow and promote larger thermal anomaly. • The La Jolla thermal anomaly is caused by a discharge of 330 ± 44 L s−1 of thermal water. • The La Jolla advective heat output (40.5 ± 5.2 MWt) can power a desalinization plant. The exploration of unexploited geothermal resources is required to encourage the use of renewable energy. This study focuses on La Jolla beach, Ensenada, Mexico. The beach hosts a thermal anomaly with temperatures of up to 52 °C at the surface and up to 93 °C at 20 cm depth. The objectives were to: map the thermal anomaly, understand the impact of tides, quantify the thermal water discharge rate and heat output, and discuss a direct use of the energy. The mapping was performed with Unmanned Aerial Vehicles equipped with optical and thermal cameras at two different dates. Additional temperature measurements were performed with a thermocouple, while the total fluid discharge was estimated from flow measurements. A comparison between the campaigns indicated that the highest surface temperature area was more than three times larger in 2019 than in 2018 (259 m2 vs. 69 m2). Such change was due to the tidal range and associated hydrostatic pressure variations. The total thermal water discharge is 330 ± 44 L s−1, which corresponds to an advective heat output of 40.5 ± 5.2 MWt. The use of this energy in a Multi-Effect Distillation desalinization plant can contribute to cover the shortage of freshwater in Ensenada.

Description: The Neolithic Revolution began approximately 10,000 years ago and is characterized by the ultimate, nearly complete transition from hunting and gathering to agricultural food production on land. The Neolithic Revolution is thought to have been catalyzed by a combination of local population pressure, cultural diffusion, property rights and climate change. We undertake a thought experiment that examines trends in these key hypothesized catalysts of the Neolithic Revolution and patterns of today to explore whether society could be on a path towards another paradigm shift in food production: away from hunting of wild fish towards a transition to mostly fish farming. We find similar environmental and cultural pressures have driven the rapid rise of aquaculture, during a period that has now been coined the Blue Revolution, providing impetus for such a transition in coming decades to centuries (as opposed to millennia). However, we also highlight the interacting and often mutually reinforcing impacts of 1) technological and scientific advancements, 2) environmental awareness and collective action and 3) globalization and trade influencing the trajectory and momentum of the Blue Revolution from patterns and processes of the Neolithic Revolution. We present two qualitative narratives that broadly fall within two future trajectories of seafood production: 1) a ubiquitous aquaculture transition and 2) commercial aquaculture and fisheries coexistence. Each narrative contains two sub-narratives based on differing management and regulatory strategies for aquaculture and fisheries. This scenarios approach aims to encourage logical, forward thinking, and innovative solutions to complex systems’ dynamics. Scenario-based thought experiments are useful to explore large scale questions, increase the accessibility to a wider readership, and ideally catalyze discussion around proactive governance mechanisms. We argue the future is not fixed and society now has greater foresight and capacity to choose the workable balance between fisheries and aquaculture that supports economic, environmental, cultural and social objectives through combined planning, policies, and management.

Description: The European Union cap-and-trade emissions trading system (EU ETS) faces two challenges in the context of the European Green Deal. First, to meet the Paris temperature target, emissions in the energy and industrial sectors must fall to net-zero and then even become net-negative. Second, there is a concern that excessive CO2 price spikes and volatility on this path will jeopardize the political acceptance and support for emissions trading as a climate policy instrument. Conditional supply of carbon removal credits (CRCs) to support dynamic carbon price caps would make it possible to stabilize the market in the transition from positive to net-negative emissions trading while keeping the net-emissions path unchanged. CRCs would be assigned for carbon removal achieved for example with methods like Direct Air Carbon Capture and Storage or Bioenergy with Carbon Capture and Storage and would be used by companies under the EU ETS to compensate for their emissions. However, we suggest that there would be no direct exchange between emitting companies under the EU ETS and carbon removal companies, i.e., the demand and supply side of CRCs, during an initial phase. Instead, we suggest assigning an institutional mandate to for example a carbon central bank (CCB) to organize the supply of CRCs. Under this mandate, carbon removal would be procured, would be translated into a corresponding number of CRCs, and a fraction of it could be auctioned to the market at a later point in time, provided that market prices exceed a certain (dynamic) price cap.

Description: Algae synthesise structurally complex glycans to build a protective barrier, the extracellular matrix. One function of matrix glycans is to slow down microorganisms that try to enzymatically enter living algae and degrade and convert their organic carbon back to carbon dioxide. We propose that matrix glycans lock up carbon in the ocean by controlling degradation of organic carbon by bacteria and other microbes not only while algae are alive, but also after death. Data revised in this review shows accumulation of algal glycans in the ocean underscoring the challenge bacteria and other microbes face to breach the glycan barrier with carbohydrate active enzymes. Briefly we also update on methods required to certify the uncertain magnitude and unknown molecular causes of glycan-controlled carbon sequestration in a changing ocean.

Description: The depth of the Labrador Sea mixed layer during winter convection is a balance between atmospheric buoyancy loss and lateral buoyancy exchange, and is notoriously difficult to represent accurately in ocean and climate models. This study shows that lateral exchanges of heat and salt between the shelf and the interior are smaller in a regional coupled ocean–sea ice model at higher vertical resolution (75 levels compared with 50 levels), due in part to altered bathymetry along the Greenland shelf. Reduced lateral exchange results in a stronger stratification in the interior of the Labrador Sea, with stronger convection resistance which results in unrealistically shallow mixed layers. The westward fluxes of heat and salt associated with Irminger Water at Cape Farewell are 50 % and 33 % lower, respectively, with higher vertical resolution. Exchanges south of the Labrador Sea from the North Atlantic Current are also smaller, contributing to a reduction in salt and heat import into the Labrador Sea interior. When the high resolution model is forced with a stronger wintertime buoyancy loss at the ocean surface, this weakens the Labrador Sea stratification, allowing the forcing to break through the freshwater cap and increasing convection, bringing mixed layer depths back to observed values. A strong atmospheric forcing can therefore compensate for a reduction in lateral advection. The mixed layer depths, which are representative of convection and Labrador Sea water formation, will be the focus in this study. Therefore, this study suggests that convection and Labrador Sea Water formation is a complex interplay of surface and lateral fluxes, linked to stratification thresholds.

Description: Ongoing discoveries of terrestrial exoplanets and the desire to determine their habitability have created an increasing demand for studies of a wide range of climatic regimes and atmospheric circulations. These studies have, in turn, challenged our understanding of our own planet’s atmospheric dynamics and provided new frameworks with which we can further our understanding of planetary atmospheres. In this work, we use an idealized moist general circulation model in aquaplanet configuration to study the atmospheric circulation of terrestrial planets with high obliquities. With seasonally varying insolation forcing and a shallow slab ocean as a lower boundary, we emphasize seasonal phenomena that might not be captured in simulations with annual mean forcing and that might involve nonlinear behaviors. By progressively increasing obliquity, we explore the response of the large-scale atmospheric circulation to more extreme seasonal cycles and a reversed annual mean equator-to-pole insolation distribution, and its impact on the energy and water cycles. We show that for high obliquities, the large-scale atmospheric circulation and the meridional energy transport are dominated by seasonally reversing broad cross-equatorial Hadley cells that transport energy from the summer to the winter hemisphere and significantly mitigate temperature extremes. These overturning cells also play a major role in shaping the planet’s hydrological cycle, with the associated ascending branches and precipitation convergence zones becoming progressively broader and more poleward shifted into the summer hemisphere with higher obliquities. While not embedded within the Hadley cell ascending branches, the hot summer poles of high obliquity planets experience nonnegligible precipitation during and at the end of the warm season: during the summer, lower-level moist static energy maxima at the summer poles force locally enhanced convective activity. As temperatures rapidly drop at the end of the summer and convective activity decreases, the water-holding capacity of the atmosphere decreases and water vapor stored in the atmospheric column rapidly condenses out, extending the duration of the summer pole rainy season into the corresponding autumn. Our study reveals novel understanding of how atmospheric dynamics might influence a planet’s overall climate and its variability.

Description: The analysis of three extreme African dust outbreaks over the Iberian Peninsula (IP) shows that a double Rossby wave breaking (RWB) process in the polar jet (PJ) creates the conditions for dust storm formation over subtropical deserts in North Africa and the restructuring of upper-level air flows critical for the dust transport poleward after ablation. Two consecutive anticyclonic RWBs initiate over the IP and the adjacent Atlantic, the first commencing 10 days before dust reaches the IP and the second three to five days later. The first RWB becomes quasi-stationary over the eastern Mediterranean when the second RWB develops. In turn, the first RWB blocks downstream propagation of the second, which is amplified by energy reflection poleward from the first break causing vortex intensification and equatorward propagation over the Atlas as well as a strengthening and coupling of the subtropical jet (STJ) to circulations in the ITCZ. Zonal flows are blocked and sustained low-level northeasterlies/easterlies are induced across northwest Africa. The three events present substantial differences in the location and geometry of key upper- and low-level subsynoptic features that organize the dust storms over the Sahara following the second break. Dust lifted by either the cold outflow from convective downdrafts or by orographic gravity waves interacts with terrain-induced and larger scale circulations and is transported to the IP. The location of the cyclonic large scale signal from the second RWB to the west or over the Atlas and the blocking of zonal flows are key for the poleward dust transport.

Description: Highlights • Coupled microbiology and geomechanics to investigate alterations in shales. • Microbial process can alter the near-wellbore of shale gas reservoirs. • Microbial alterations of near-wellbore rock properties can weaken mechanical integrity. • Biogeomechanical alterations increased porosity (+42%) & permeability (+6430%). • Biogeomechanical alteration with other stimulation methods can improve gas recovery. Shale gas reservoirs, with typically ultra-low permeabilities, have been a major focus of hydrocarbon production over the past few decades. In this paper, we investigated how biogeomechanical alteration of near-wellbore properties could potentially impact hydrocarbon recovery from low-permeability reservoirs, using Wolfcamp shale and Niobrara shale formations. We first obtained the geomechanical properties using the scratch test method, in addition to the mineralogical, microstructural, and porosity and permeability measurements of the shale gas samples. Subsequently, we treated the core samples with a cultured microbial solution at distinct conditions. Further, we obtained the corresponding new geomechanical properties, in addition to the new mineralogical, microstructural, and porosity measurements of the samples impacted by the process. Finally, we showed the implications of the altered near-wellbore properties for hydrocarbon recovery from shale gas reservoirs. Our results suggest that in shale gas reservoirs, microbial-induced alterations of near well-bore properties could temporally reduce its mechanical integrity (Wolfcamp shale = −21% unconfined compressive strength, −42% scratch toughness; Niobrara shale = −24% unconfined compressive strength, −14% scratch toughness), increase porosity (+43%) and permeability (+6430%), and impact the microstructural and mineralogical properties. The near-wellbore biogeomechanical alterations could potentially improve hydrocarbon recovery by enhancing: (1.) the susceptibility for induced fractures to nucleate and propagate during reservoir-stimulation; (2.) flow pathways to improve hydrocarbon recovery.

Description: Both chemical and isotopic compositions of volcanic plumes are highly useful in evaluating the present status of active volcanoes. Monitoring their temporal changes can facilitate the forecasts of volcanic activity as well. In the present study, we developed a drone-borne automatic sampler for volcanic plumes in which an output signal from a sulfur dioxide (SO2) sensor triggered a pump to collect samples when its SO2 concentration exceeded a predefined threshold. First, we tested the automatic sampler while holding the device by hand at Iwo-yama volcano, Kirishima volcanic complex, Japan, where the fumaroles were accessible. Second, we fitted the sampler on a drone at Nakadake central cone, Aso volcano, Japan, where only the crater rim was accessible. In both sampling campaigns, good consistency in isotope ratios (2H/1H) of molecular hydrogen (H2) between samples collected by the automatic sampler and those collected directly into pre-evacuated flasks was obtained. Furthermore, by using the drone-borne sampler at Aso volcano, we obtained plume samples with higher concentrations of H2 and carbon dioxide than those taken directly into flasks at the crater rim. Our sampler can be utilized to collect volcanic plume samples for the determination of stable isotopic compositions in general by subsequent laboratory analysis and the remote establishment of fumarole outlet temperature based on the 2H/1H ratios of hydrogen, including their temporal changes.

Description: Volcaniclastic stratigraphy can be difficult to map and describe due to its complex nature. However, such stratigraphy preserves information about fluctuations in volcanic activity and sedimentation and is vital to understanding volcanic systems. Uncrewed aerial vehicle (UAV) based analysis of volcanic stratigraphy can enhance mapping and analysis, especially on vertical surfaces where outcrop exposure is greatest. Here we present a method for using small UAVs to produce vertical grain size and bedding measurement logs, or quantitative stratigraphic columns, of vertical volcaniclastic stratigraphy. We demonstrate the range of high-accuracy measurements and parameters that can be collected for building measurement logs using consumer grade UAVs through a case study in the Marysvale volcanic field where we collected 34,422 grain measurements from 21 individual units. The purpose of producing such measurement logs is to enhance lithofacies analysis through the use of large quantitative datasets and improve the reproducibility of data reporting. Whereas descriptions of volcaniclastic units such as those describing grading are often reported qualitatively, we describe methods for calculating numerical parameters for enhanced lithologic analysis including grain size, grading, clast to matrix ratios, and shape characteristics. The methods described in this paper can enhance field data acquisition, mapping, and quantitative analysis of volcaniclastic deposits and are applicable to a wide range of other geologic settings where coarse-grained clastic sedimentary deposits exist.

Description: Mussel aquaculture is heavily reliant on wild mussel populations that supply juveniles (spat) for seeding farms. However, little is often known about parent populations, representing a risk for the sustainability of the industry. We used hydrodynamic back-tracking models to identify potential parental areas that provision green-lipped mussel (Perna canaliculus) spat across a range of settlement sites in New Zealand's largest aquaculture area. Median parental area varied considerably between 19 km2 for sites located in enclosed bays and a maximum of 〉1150 km2 for sites located in open bays. Median distance to parent populations ranged between 1.8 and 21.4 km, with a maximum larval dispersal estimated to be ca. 100 km. Small seasonal variations in parental area and dispersal distance were detected in some regions, whereas inter-annual variability was relatively minor. Regional connectivity between settlement and parental regions ranged between a minimum of 45% of larvae originating in the same parental region, to maximum retention rates of 99.9% for sites in enclosed bays, implying a considerable regional variation in the potential for self-seeding and exporting mussel larvae other areas. Our results also delineate areas that support spatfall by identifying likely locations for wild or farmed parental populations, and by establishing the spatial extent where mussel reproduction and larval development through to settlement take place. These dispersal and connectivity patterns are crucial to support management decisions for the conservation and restoration of parental populations, and other environmental constraints, such as water quality, which are necessary to ensure the sustainability of spat catching operations that enable shellfish farming.

Description: Aqueous sorption processes play an important role in, for example, pollutant binding to natural nanoparticles, colloid stability, separation and enrichment of components and remediation processes. In this article, which is a tribute to Hans Lyklema, models of localized (ad)sorption of molecules and ions from aqueous solution on homogeneous and heterogeneous nanoparticles are presented. The discussed models range from ideal monocomponent sorption on homogeneous (Langmuir) and heterogeneous sites, to multicomponent ideal sorption on homogeneous and heterogeneous sites, multicomponent multisite ion complexation with charge distribution (CD-MUSIC) and non-ideal competitive adsorption on heterogeneous sites (NICA). Attention is also paid to lateral interaction, site-induced aggregation, binding stoichiometry and multilayer formation. Electrical double layer models are discussed in relation to ion binding on impermeable and permeable nanoparticles. Insight in models that can describe sorption of molecules and ions on nanoparticles leads to awareness of the limitations of using simple models for complex systems and is needed for the selection and application of an appropriate model for a given system. This is relevant for all practical sorption processes and for a better understanding of the role of natural nanoparticles in the binding of nutrients and pollutants.

Description: These are the first animals to pass mutations found outside sex cells

Description: Varying culture methods are commonly used for eastern oyster, Crassostrea virginica, aquaculture in the Northeast United States. Vibrio vulnificus and V. parahaemolyticus, two human pathogenic bacteria species, accumulate in this edible, filter feeding shellfish. This study examined the use of two methods in an intertidal area (oysters cultured in trays and in bags on sediment) and two methods in a subtidal area (oysters cultured in trays and loose on the sediment) in Massachusetts over the growing season in 2015. Abundance of total V. vulnificus along with total and pathogenic (tdh+/trh+) V. parahaemolyticus were determined in oysters, sediment and water using real-time PCR. Temperature, salinity, turbidity and chlorophyll were continually measured every 15 min at each location. There were significantly higher abundances of total and pathogenic V. parahaemolyticus in on-bottom cultured oysters, while significantly higher abundances of V. vulnificus were identified in oysters from off-bottom culture in a subtidal location in Duxbury Bay, MA. In an intertidal location, Wellfleet Bay, MA, significantly higher abundances of total and tdh+ V. parahaemolyticus were found in off-bottom oysters, but significantly higher abundances of V. vulnificus and trh+ V. parahaemolyticus were found in on-bottom oysters. Spearman's correlation indicated that temperature is positively associated with concentrations of Vibrio spp. in oysters, water and sediment, but positive correlations between salinity and Vibrio spp. was also observed. Conversely, turbidity had a negative effect on Vibrio spp. concentrations in all sample types. There was no observed relationship inferred between chlorophyll and Vibrio spp. abundances in oysters, water or sediment.

Description: Highlights: • Temperature anomalies for the Mid-Holocene compared to preindustrial are significantly different in the low- and high-resolution versions of the atmospheric model ECHAM5 • For summer, shortwave cloud radiative forcing emerges as an important factor. • For boreal winter, differences are mainly related to circulation changes. • Anomaly differences are regionally as large as the mid-Holocene minus preindustrial temperature signals. Abstract: This study evaluates the dependence of simulated surface air temperatures on model resolution and orography for the mid-Holocene. Sensitivity experiments with the atmospheric general circulation model ECHAM5 are performed with low (∼3.75°, 19 vertical levels) and high (∼1.1°, 31 vertical levels) resolution. Results are compared to the respective preindustrial runs. It is found that the large-scale temperature anomalies for the mid-Holocene (compared to preindustrial) are significantly different in the low- and high-resolution versions. For boreal winter, differences are mainly related to circulation changes caused by the response to thermal forcing in conjunction with orographic resolution. For summer, shortwave cloud radiative forcing emerges as an important factor. The anomaly differences (low minus high resolution version) in the Northern Hemisphere are regionally as large as the anomalous mid-Holocene temperature signals. Furthermore, they depend on the applied surface boundary conditions. We conclude that the resolution matters for the Northern Hemisphere response in mid-Holocene simulations, which should be taken into account in model-model and data-model comparisons.

Description: Saccharina japonica is a commercially farmed seaweed of global importance. However, disease occurrence during different stages of cultivation can result in substantial economic losses. Identification of the causative agents of disease remains a significant bottleneck to the large scale cultivation of S. japonica. In this study, an aerobic heterotrophic, flagellated, rod-shaped Gram-negative bacterial strain X-8 was isolated from the bleaching diseased S. japonica sporelings. Pathogenecity of strain X-8 was tested by re-infection assay. The ultrastructural changes of infected S. japonica cells by strain X-8 indicated that chloroplasts were the first organelle responding to X-8 infection with deformed structure and later followed by fragmented nucleus. However, the ultra-structure of mitochondria and cell wall remained intact during the re-infection. Based on 16S rRNA gene sequence, morphological and biochemical characteristics, strain X-8 was designated as Pseudoalteromonas piscicida X-8. The pathogenicity of P. piscicida X-8 was identified by Koch's Postulate under laboratory conditions. Our results will not only help to establish a stable experimental model between the pathogenic bacteria and the host S. japonica to further elucidate the virulence mechanisms, but will also provide information for disease management to effectively prevent and mitigate the occurrence of bleaching disease of S. japonica at nursery stage.

Description: Highlights • UAV surveys can be used for evaluating long-term hillslope morphology evolution. • Successive landslides influence frequency distributions of topographic features. • Successive landslides gradually reduce slope gradient, roughness and local relief. • The slope gradient changes with elevation. Landslides are recognized as dominant geomorphic events of morphological evolution in most mountainous and hilly landscapes. However, the lack of multitemporal high-resolution topographic data has resulted in a lack of quantitative estimates of topographic changes influenced by successive landslides. Taking a typical hillslope with successive loess landslides in the Heifangtai loess tableland, China, as an example, we conducted four unmanned aerial system (UAS) surveys and created corresponding high-resolution digital elevation models (HRDEMs) and orthophotos. We found that multitemporal UAS surveys have become a powerful new approach for addressing local topographic changes and evolution over a relatively long time series. Moreover, landslides can leave persistent geomorphic imprints on hillslope topography. The frequency distributions of topographic indexes are significantly influenced by successive landslides. The mean slope gradient, roughness and local relief decreased with successive landslide occurrences, whereas the mean topographic wetness index (TWI) increased. However, the mean slope aspect was almost unchanged by successive landslides. Furthermore, analysis of the coefficient of variation demonstrates that the frequency distribution of the slope gradient becomes more dispersed with landslide occurrences, while the slope aspect and TWI become more concentrated. The slope gradient changes with elevation. More broadly, this study provides new insights into the prediction of the local topographic feature changes and morphology evolution trends caused by successive landslides.

Description: Highlights • Shale samples were exposed to slick water under the condition of 120 °C and 20 MPa within 30–90 days. • Microindentation was conducted to probe the distance-dependent, gradient alteration to shale mechanical properties. • The average rate of softening advancement was estimated as 0.13 mm/day. • The dissolution of carbonate minerals, pyrite oxidation and clay mineral osmotic swelling determine the shale softening. The shale softening behavior caused by hydrofracturing fluid is of great influence for the fracture conductivity and ultimate recovery of oil and gas from reservoir formations. This paper presents an experimental study on the characterization of a shale after being softened by the coupled thermo-hydro-mechanical-chemical (THMC) treatments that simulate the high-temperature and high-pressure rock-fluid interactions occurring in deep reservoirs during and after hydraulic fracturing. Microindentation tests were conducted to characterize the degradation degree and rate of mechanical properties of THMC-treated samples, and X-ray diffraction (XRD), scanning electron microscope (SEM), and micro-computed tomography (micro-CT) were carried out to analyze compositional and microstructural alterations of samples prior to and after THMC treatment. The results show that Young's modulus, hardness, and fracture toughness degrade significantly upon THMC treatment, and the average softening rate was estimated as 0.13 mm/day. The degradation of mechanical properties of the softened zones is primarily owing to the porous microstructure and crack propagation, resulting from the dissolution of carbonates, pyrite oxidation and the clay mineral osmotic swelling. These findings can provide a good insight of shale-fracturing fluid interactions, phenomenological behavior of shale softening that take place in deep reservoirs at elevated temperatures and pressures, and shed lights on the design, and operation of shale gas exploration.

Description: The recent and growing development and availability of unmanned aerial vehicles/systems (UAV, UAS, or “drones”) in volcanology has promoted a significant advance in volcanic surveillance of active volcanoes and in the characterization of volcanic landforms and hazards. However, in the tropics with heavy rainfall, deep volcanic soils and high relief, UAV surveying for volcanic geomorphology and volcanic hazards seems to be a relatively unexplored technique. Our aim is to present and promote innovative low-cost (〈$3000) UAV applications in volcanology to reduce costs and improve high-resolution quality (up to 8 cm/pixel) data acquisition in highly dynamic landscapes. Our results contribute to the state of the art of UAV applications in volcanic landforms in tropical developing countries where nearly half of the globally active volcanoes are located. Our findings prove that UAV's are a low-cost technique that can map large extensions of geomorphological features with accessibility limitations due to geological hazards and/or private property restrictions in short time. We surveyed four active volcanic sites in Costa Rica, Central America to illustrate potential applications of UAV mapping and geomorphological analysis of lava flows, debris avalanches, lahar deposits (debris flows) and biogeomorphic landscape changes due to forest succession. Analysis derived from the digital imagery captured by the UAV allowed to determine accurate volume calculations, surface roughness characteristics, morphometric quantifications, supervised surface classifications, and in combination with hydraulic modelling to assess hazards in urban planning. We discuss the utility, limitations, and future directions of low-cost UAV surveying in the geomorphological and geological analysis of tropical volcanic landforms and processes.

Description: Mount Agung (the highest volcano in Bali, Indonesia) began to erupt on November 21, 2017, after having been dormant for 53 years. More than 100,000 people were evacuated within the hazard zone between September 2017 (when the highest volcanic alert was issued) and early 2018. The eruptions continued until June 2019, accompanied by at least 110 explosions. During the eruptive crisis, the observation of the lava dome's emplacement was essential for mitigating the potential hazard. Details of the lava dome growth, including the volumetric changes and effusion rates, provide valuable information about potential eruption scenarios and lahar depositions. In this paper, the essential role of multi-temporal unmanned aerial vehicle (UAV) images in the monitoring of Mt. Agung's lava dome, and in determining the areas of potential lahar hazards during the crisis between 2017 and 2019 is described. A fixed-wing UAV was launched outside the hazard zone to photograph the lava dome on five occasions. Image enhancement, machine learning, and photogrammetry were combined to improve image quality, remove point clouds outliers, and generate digital terrain models (DTMs) and orthoimages. The analysis of the obtained DTMs and orthoimages resulted in qualitative and quantitative data highlighting the changes inside the crater and on the surrounding slopes. These results reveal that, from November 25 to December 16, 2017, the lava dome grew vertically by 126 m and reached a volume of 26.86 ± 0.64 × 106 m3. In addition, its surface experienced a maximal uplift of approximately 52 m until July 2019 with the emergence of a new dome with a volume estimated at 9.52 ± 0.086 × 106 m3. The difference between the DTMs of 2017 and 2019 reveals the total volume of erupted material (886,100 ± 8000 m3) that was deposited on the surrounding slopes. According to the lahar inundation simulation, the deposited material may cause dangerous lahars in 21 drainages, which extend in the north (N), north-east (N-E), south (S), south-east (S-E), and south-west (S-W) sectors of the volcano. This paper presents the use of UAV remote sensing for the production of high-spatial resolution DTMs, which can be used to both observe the emplacement of a lava dome, and to identify areas with potential lahar risk during a volcano crisis.

Description: Highlights • A new approach using UAS to map and classify volcanic deposits is described. • Tephra and lava are distinguished by their roughness and solar heating rate. • Solar heating rate decreases as lava transitions from pāhoehoe to ʻaʻā. • We compare manual and machine learning classification methods. The deposits from volcanic eruptions represent the record of activity at a volcano. Identification, classification, and interpretation of these deposits are crucial to the understanding of volcanic processes and assessing hazards. However, deposits often cover large areas and can be difficult or dangerous to access, making field mapping hazardous and time-consuming. Remote sensing techniques are often used to map and identify the deposits of volcanic eruptions, though these techniques present their own trade-offs in terms of image resolution, wavelength, and observation frequency. Here, we present a new approach for mapping and classifying volcanic deposits using a multi-sensor unoccupied aerial system (UAS) and demonstrate its application on lava and tephra deposits associated with the 2018 eruption of Sierra Negra volcano (Galápagos Archipelago, Ecuador). We surveyed the study area and collected visible and thermal infrared (TIR) images. We used structure-from-motion photogrammetry to create a digital elevation model (DEM) from the visual images and calculated the solar heating rate of the surface from temperature maps based on the TIR images. We find that the solar heating rate is highest for tephra deposits and lowest for ʻaʻā lava, with pāhoehoe lava having intermediate values. This is consistent with the solar heating rate correlating to the density and particle size of the surface. The solar heating rate for the lava flow also decreases with increasing distance from the vent, consistent with an increase in density as the lava degasses. We combined the surface roughness (calculated from the DEM) and the solar heating rate of the surface to remotely classify tephra deposits and different lava morphologies. We applied both supervised and unsupervised machine learning algorithms. A supervised classification method can replicate the manual classification while the unsupervised method can identify major surface units with no ground truth information. These methods allow for remote mapping and classification at high spatial resolution (〈 1 m) of a variety of volcanic deposits, with potential for application to deposits from other processes (e.g., fluvial, glacial) and deposits on other planetary bodies.

Description: How do people’s perceptions about when they work affect their intrinsic motivation? We find that working during non-standard work time (weekends/holidays) versus standard work time (Monday-Friday, 9-to-5) undermines people’s intrinsic motivation for their professional and academic pursuits. Working during non-standard work time decreases intrinsic motivation by causing people to consider better uses of their time. That is, people generate more upward counterfactual thoughts, which mediates the effect of work time on reduced intrinsic motivation. As a causal test of this process, increasing consideration of upward counterfactuals during standard work time reduces intrinsic motivation, whereas decreasing consideration of upward counterfactuals during non-standard work time helps employees and students maintain intrinsic motivation for their professional and academic pursuits. Overall, we identify a novel determinant of intrinsic motivation and address a real challenge many people face: How changing work schedules affect interest and enjoyment of work, with important consequences for work outcomes.

Description: Seagrasses are complex benthic coastal ecosystems that play a crucial role in organic matter cycling and carbon sequestration. However, little is known about how seagrasses influence the structure and carbon utilization potential of benthic bacterial communities. This study examined the bacterial communities in monospecific and mixed meadows of seagrasses and compared with bulk (unvegetated) sediments from Chilika, a brackish water coastal lagoon of India. High-throughput sequencing of 16S rRNA genes revealed a vegetation effect in terms of differences in benthic bacterial community diversity, composition, and abundances in comparison with bulk sediments. Desulfobacterales, Chromatiales, Enterobacteriales, Clostridiales, Vibrionales, and Acidimicrobiales were major taxa that contributed to differences between seagrass and bulk sediments. Seagrasses supported ∼5.94 fold higher bacterial abundances than the bulk due to rich organic carbon stock in their sediments. Co-occurrence network demonstrated much stronger potential interactions and connectedness in seagrass bacterial communities compared to bulk. Chromatiales and Acidimicrobiales were identified as the top two keystone taxa in seagrass bacterial communities, whereas, Dehalococcoidales and Rhizobiales were in bulk communities. Seagrasses and local environmental factors, namely, water depth, water pH, sediment salinity, redox potential, total organic carbon, available nitrogen, sediment texture, sediment pH, and sediment core depth were the major drivers of benthic bacterial community composition. Carbon metabolic profiling revealed that heterotrophic bacteria in seagrass sediments were much more metabolically diverse and active than bulk. The utilization of carbon substrate guilds, namely, amino acids, amines, carboxylic acids, carbohydrates, polymers, and phenolic compounds was enhanced in seagrass sediments. Metabolic mapping predicted higher prevalence of sulfate-reducer and N2 fixation metabolic functions in seagrass sediments. Overall, this study showed that seagrasses control benthic bacterial community composition and diversity, enhance heterotrophic carbon substrate utilization, and play crucial roles in organic matter cycling including degradation of hydrocarbon and xenobiotics in coastal sediments.

Description: The total cultivable microbiota of the ice-stored European sea bass (Dicentrarchus labrax), the most important commercial fish species of the Mediterranean aquaculture, was determined using 16S rRNA gene sequence analysis. High Resolution Melting (HRM) curve profiles and sequencing analysis (V3–V4 region of the 16S rRNA gene) were used respectively for the differentiation and identification of the collected isolates from six time intervals (day 0, 4, 8, 12, 14 and 16) while fish were stored in ice. HRM analysis differentiated the unknown microbiota in ten groups (208 isolates) and in two single isolates based on their HRM curve profiles. The isolates with HRM profiles which were 〉91% similar within each group were found to belong to the same species using sequencing analysis. Thus, the ten groups consist of representatives of Psychrobacter glacincola, Ps. alimentarius, Ps. cryohalolentis, Ps. maritimus, Ps. fozii, Pseudomonas sp., Paeniglutamicibacter sp., Carnobacterium sp., Leucobacter aridicolis and Bacillus thuringiensis. Based on this approach, Ps. cryohalolentis was found to be the most dominant phylotype at the beginning of fish shelf-life compared to other species. The abundance of this bacterium decreased throughout storage, while Ps. glacincola increased and dominated at the time of the sensory minimum acceptability (day 14) and rejection (day 16). To conclude, HRM could be used for the rapid determination of sea bass microbiota, using the representatives of each group as reference bacterial strains, in order for scientists to solve rapidly stakeholders problems related with microbial quality or safety of fish.

Description: Ringed seals (Pusa hispida) are slowly recovering in the eastern and northern parts of the Baltic Sea after years of hunting pressure and contaminant exposure. Still, consequences of anthropogenic activities such as contaminant exposure and increasing temperatures are stressors that continue to have deleterious effects on their habitat and health. Transcription profiles of seven health-related genes involved in xenobiotic metabolism, endocrine disruption and stress were evaluated in blood, blubber, and liver of Baltic ringed seals in a multi-tissue approach. Selected persistent organic pollutants and total mercury concentrations were measured in blubber and liver, and muscle and liver of these animals, respectively. Concentrations of contaminants varied across tissues on a lipid weight basis but not with sex. mRNA transcript levels for all seven target genes did not vary between sexes or age classes. Transcript levels of thyroid hormone receptor alpha (TRα), retinoic acid receptor alpha (RARα) and heat shock protein 70 (HSP70) correlated with levels of persistent organic pollutants. TRα transcript levels also correlated positively with mercury concentrations in the liver. Of the three tissues assessed in this multi-tissue approach, blubber showed highest transcription levels of aryl hydrocarbon receptor nuclear translocator (ARNT), thyroid stimulating hormone receptor beta (TSHβ), oestrogen receptor alpha (ESR1) and peroxisome proliferator activated receptor alpha (PPARα). The wide range of genes expressed highlights the value of minimally invasive sampling (e.g. biopsies) for assessing health endpoints in free-ranging marine wildlife and the importance of identifying optimal matrices for targeted gene expression studies. This gene transcript profile study has provided baseline information on transcript levels of biomarkers for early on-set health effects in ringed seals and will be a useful guide to assess the impacts of environmental change in Baltic pinnipeds for conservation and management.

Description: Highlights • Our data split method handles spatial autocorrelation and imposes prediction fairness. • The sets impose fair algorithms with similar difficulty in all machine learning steps. • Kriging variance is a surrogate of spatial prediction difficulty. • The resulting training and test sets are compatible with any machine learning model. Machine learning supports prediction and inference in multivariate and complex datasets where observations are spatially related to one another. Frequently, these datasets depict spatial autocorrelation that violates the assumption of identically and independently distributed data. Overlooking this correlation result in over-optimistic models that fail to account for the geographical configuration of data. Furthermore, although different data split methods account for spatial autocorrelation, these methods are inflexible, and the parameter training and hyperparameter tuning of the machine learning model is set with a different prediction difficulty than the planned real-world use of the model. In other words, it is an unfair training-testing process. We present a novel method that considers spatial autocorrelation and planned real-world use of the spatial prediction model to design a fair train-test split. Demonstrations include two examples of the planned real-world use of the model using a realistic multivariate synthetic dataset and the analysis of 148 wells from an undisclosed Equinor play. First, the workflow applies the semivariogram model of the target to compute the simple kriging variance as a proxy of spatial estimation difficulty based on the spatial data configuration. Second, the workflow employs a modified rejection sampling to generate a test set with similar prediction difficulty as the planned real-world use of the model. Third, we compare 100 test sets' realizations to the model's planned real-world use, using probability distributions and two divergence metrics: the Jensen-Shannon distance and the mean squared error. The analysis ranks the spatial fair train-test split method as the only one to replicate the difficulty (i.e., kriging variance) compared to the validation set approach and spatial cross-validation. Moreover, the proposed method outperforms the validation set approach, yielding a minor mean percentage error when predicting a target feature in an undisclosed Equinor play using a random forest model. The resulting outputs are training and test sets ready for model fit and assessment with any machine learning algorithm. Thus, the proposed workflow offers spatial aware sets ready for predictive machine learning problems with similar estimation difficulty as the planned real-world use of the model and compatible with any spatial data analysis task.

Description: Deep-sea polymetallic nodule mining is expected to start within the next decade. There is currently a pressing need to develop best practices to minimise the potential environmental impacts of this new industry. Project-specific environmental management processes, such as environmental impact assessment (EIA), and the associated environmental management and monitoring plan (EMMP), must be effective to sufficiently mitigate environmental impacts of deep-sea mining (DSM) projects. This paper identifies the key drivers, barriers, and enablers to polymetallic nodule mining from a review of recent literature and develops an environmental management framework prior to any exploitation licenses being approved. We explore how the drivers to polymetallic nodule mining are framed in a global context, including claims that it will facilitate clean energy transitions, increase mineral supply diversity, and improve life cycle sustainability. We highlight the key barriers to effective environmental management, including epistemic uncertainty about deep-sea ecosystems, assessment of harmful effects from mining activities, and stakeholder support for a social license. We identify three enablers, including the precautionary approach, the ecosystem approach, and adaptive management, all of which are highly interdependent and must be operationalised to address the identified barriers. The results of this analysis indicate a complex social-ecological narrative infused throughout recent literature, emphasising the need for systems-level thinking and broader stakeholder participation. We present an environmental management framework designed to support good industry practice and guide future research.

Description: Northern peatlands store 300–600 Pg C, of which approximately half are underlain by permafrost. Climate warming and, in some regions, soil drying from enhanced evaporation are progressively threatening this large carbon stock. Here, we assess future CO2 and CH4 fluxes from northern peatlands using five land surface models that explicitly include representation of peatland processes. Under Representative Concentration Pathways (RCP) 2.6, northern peatlands are projected to remain a net sink of CO2 and climate neutral for the next three centuries. A shift to a net CO2 source and a substantial increase in CH4 emissions are projected under RCP8.5, which could exacerbate global warming by 0.21°C (range, 0.09–0.49°C) by the year 2300. The true warming impact of peatlands might be higher owing to processes not simulated by the models and direct anthropogenic disturbance. Our study highlights the importance of understanding how future warming might trigger high carbon losses from northern peatlands.

Description: Increased water temperature is considered an important cause of the loss of seagrass beds. This paper quantified the interactive influence of different combinations of water temperature and duration on the responses of Zostera marina plants in terms of survivorship, morphology, growth and physiology. The LT50 (lethal temperature that caused an increase in mortality to 50% of that of the control) and ET50 (effect time that caused a decrease in growth to 50% of that of the control) were calculated to reveal the quantitative relationship between temperature and duration that resulted in limiting effects on the survival and growth of Z. marina plants. Z. marina plants were exposed to different combinations of water temperature [23 (control), 25, 27, 29, and 31 °C] and duration (5, 10, 15 and 20 days), and then the plants were transferred to the control condition for over 30 days under laboratory conditions. The results showed that the survival rate of plants at the end of recovery were significantly lower than those of plants at the end of direct impact under the temperature levels of 29 and 31 °C in each duration, indicating that short-term periods of obviously increased water temperature would lead to long-term effects on the survival of Z. marina plants. Regression analysis revealed that the relationship between water temperature and duration that resulted in limiting effects on the survival and growth of Z. marina could be described as a strong power function. Pearson correlation analysis showed that the survival and growth of Z. marina plants exposed to different temperature levels were significantly correlated with leaf soluble sugar contents. This study will further develop our understanding of the degradation and disappearance of seagrass beds induced by increased temperature.

Description: Highlights: • Wind-PV power mix beneficial for balancing variability due to weather. • Ratio of 45–57% for PV over PV plus wind power maximises balancing effects. • Simultaneous extremes in wind and PV power occur on less than 10% of the days. Abstract: The increasing use of wind and solar power requires interventions to balance the associated variability in energy production. One option to reduce the costly interventions is to exploit the natural de-correlation of wind and irradiance. This study characterises the balancing potential of the natual variability in wind and photovoltaic energy production within and across eleven European countries. We use 20 years of highly resolved meteorological data from a post-processed regional reanalysis with a 6 km horizontal grid to calculate daily photovoltaic and wind power. Our results suggest a country-dependent reduction of the day-to-day variability in energy production by 29%–42% due to installing both PV and wind power capacities, compared to wind power only. The optimized photovoltaic to photovoltaic plus wind power generation ratios are 45–57% for maximizing balancing effects associated with the changing weather. We further identify on less than 10% of the days a simultaneous occurrence of extremes in photovoltaic and wind power across European countries. The cross-border balancing potentials for the extremes in renewable energy production are therefore high due to the spatio-temporal differences of the local weather.

Description: Highlights • Shear strength in the BPT is estimated based on tensorial strain partitioning. • Accounting for full strain components resolves problems in the two-mechanism model. • Inclination of slip planes causes weakening relative to the friction law. • Fault-parallel compression is significant in the BPT and brittle regimes. A constitutive law of shear zones in the brittle-plastic transition (BPT) is of great importance to understanding loading at the bottom of the seismogenic layer preceding large earthquakes. Previous microphysics-based models are based on the partitioning of slip and dilation normal to the shear zone into different deformation mechanisms. Here, I account for the remaining 2-D strain component, inelastic extension of the shear zone, and associated stress buildup parallel to the shear zone, and investigate the steady-state behavior of a shear zone in which slip on inclined planes and bulk plastic flow coexist. Kinematic constraints and constitutive laws of the two mechanisms were solved numerically. The results show that the inclination of slip planes causes weakening relative to the friction law. Whereas the previous two-mechanism model yields a larger strength than the friction law for a rate-weakening slip element in the BPT, the present model qualitatively resolves this problem. Fault-parallel compression buildup can exceed the normal stress in the BPT and the brittle regime if the friction coefficient of the slip planes is in the range of Byerlee's law. This study illuminates the importance of fault-parallel compression in understanding the fabrics and strengths of shear zones.

Description: Degassing volcanic systems, expressed by fumaroles, thermal anomalies, and hydrothermal alteration and deposition at the surface provide insights into the underlying structural architecture and the magmatic system. While the fumarole sites are easily identified and investigated, areas of diffuse degassing and associated hydrothermal alteration are barely explored. Here we investigate high-resolution optical and thermal infrared (TIR) data, acquired by unoccupied aircraft systems (UAS) at the La Fossa cone (Vulcano Island) in November 2018. The data provides insights into the structural complexity of degassing sites and associated processes at the surface. Applying the Structure from Motion (SfM) approach, we generate a photomosaic database with a 0.05 m and 0.7 m pixel resolution for the optical and infrared datasets, respectively. A Principal Component Analysis (PCA) was applied to the optical data to detect, define and extract areas of hydrothermal alteration and sulfuric deposition on a pixel base, with a feature detection threshold of up to 25 cm2. By comparing optical data, PCA results and the IR data, we found a broad alteration zone dominated by diffuse degassing surrounding the main fumaroles, which with ~ 60,000 m2 is ten times larger than the area covered by fumaroles and yellowish sulfuric deposits. Spectral and thermal characteristics of this alteration zone suggest a segmentation into at least 13 distinct subregions. Hydrothermal alteration and deposition were analyzed considering their pixel density and spectral signature (RGB) and show the highest pixel density in the center of the fumarole field, accompanied by a systematic color shift. The same region is characterized by a systematic change in azimuths of thermal lineaments and sulfuric clusters from the dominating trend NW-SE by ~90 degrees to NE-SW. We conjecture this to be controlled by a permeability contrast due to a subsurface structure or crater intersection, facilitating a more direct gas ascent in the center of the fumarole field. We provide a precise and complete database for the state and extent of the La Fossa fumarole field, which can be used for comparative monitoring of spatio-temporal changes within the hydrothermal system at the surface.

Description: Quinoa (Chenopodium quinoa Willd.), an herb belonging to the amaranth family, is rich in minerals, amino acids, vitamins, proteins, and flavonoids. Its grain, compared with other major grains, has unique nutritional value with tremendous applications. This study used four independently bred high-generation lines (seed colors) of quinoa as materials to further understand the metabolic differences in the filling periods of quinoa varieties. Additionally, the non-targeted metabolome of quinoa seeds 35 and 42 days after flowering, respectively, were studied via liquid chromatography-mass spectrometry. The two filling periods of yellow, white, black, and red quinoa grains resulted in significant differences in the metabolites, particularly in L-methionine, S-adenosyl-L-homocysteine, S-adenosyl-L-methionine, pyruvate, fumarate, and oxaloacetate. Soluble sugar, amino acid, and fatty acid contents in quinoa increased after 42 days of flowering. There were metabolic differences between the sugar phosphates (L-fucose, D-mannose-6-phosphate, xylulose-5-phosphate, sedoheptulose-7-phosphate), amino acid (alanine), and organic compounds (kynurenate, tryptamine, serotonin, bilirubin) among the four quinoa varieties. The relative difference in the metabolites was largest when the yellow quinoa grain was compared with the other quinoa varieties and smallest when the red and black varieties were compare. The results of this study provide a basis for the reproduction and identification of new quinoa varieties, as well as for screening potential quality control target genes by combining genomics and transcriptomics.

Description: Highlights • Release of additives from plastic pollution may harm wildlife. • Robust methods to characterise additives and their leaching behaviour are needed. • Extraction and leaching methods are informed from well-established industry methods. • Recommended approaches for extraction and leaching studies are presented. • The use of environmentally relevant methods and test materials is advised. Plastic pollution is prevalent worldwide and has been highlighted as an issue of global concern due to its harmful impacts on wildlife. The extent and mechanism by which plastic pollution effects organisms is poorly understood, especially for microplastics. One proposed mechanism by which plastics may exert a harmful effect is through the leaching of additives. To determine the risk to wildlife, the chemical identity and exposure to additives must be established. However, there are few reports with disparate experimental approaches. In contrast, a breadth of knowledge on additive release from plastics is held within the food, pharmaceutical and medical, construction, and waste management industries. This includes standardised methods to perform migration, extraction, and leaching studies. This review provides an overview of the approaches and methods used to characterise additives and their leaching behaviour from plastic pollution. The limitations of these methods are highlighted and compared with industry standardised approaches. Furthermore, an overview of the analytical strategies for the identification and quantification of additives is presented. This work provides a basis for refining current leaching approaches and analytical methods with a view towards understanding the risk of plastic pollution.

Description: We processed three quinoa ecotypes as they are commonly consumed in a daily diet. For the treatments, quinoa seeds were washed, cooked, and/or germinated. Following treated, we used 1H NMR-based metabolomic profiling to explore differences between the ecotypes. Then, for a non-targeted and targeted food fingerprint analysis of samples, we performed multivariable data analyses, including principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA), and hierarchical cluster analysis. From our study, we were able to discriminate each quinoa ecotype regardless of treatment based on its metabolomic profiling. Additionally, we were able to identify 30 metabolites that were useful to determine the effect of each treatment on nutritional composition. Germination increased the content of most metabolites irrespective of ecotype. In general, ecotype CQE_03 was different from ecotypes CQE_01 and CQE_02. Our phytochemical analysis revealed the effects of washing, cooking, and/or germination, particularly on saponins content.

Description: Highlights • Carbon dioxide + propane mixtures are studied through accurate measurements of speeds of sound and phase equilibria. • Heat capacities and virial coefficients are obtained from speeds of sound. • Retrograde condensation zone is found for the (0.60 CO2 + 0.40 C3H8) mixture. • Results are compared with reference equations of state such as GERG-2008 and AGA8-DC92. This work presents phase envelope and speed of sound data for the (0.60 CO2 + 0.40 C3H8) and (0.80 CO2 + 0.20 C3H8) binary mixtures. Phase equilibria was measured using a cylindrical resonator working in the microwave band whereas an acoustic resonator was used for speed of sound measurements. The experimental results were compared with GERG-2008 equation of state, obtaining average absolute deviations by 0.24% in pressure for phase equilibria data and 0.025% for speed of sound data. Speed of sound values were used to derive perfect-gas heat capacities, acoustic virial coefficients, and second density virial coefficients. In addition, AGA8-DC92 equation of state performance was checked for the results derived from speeds of sound.

Description: Opportunities to include Cetancodontamorpha in the study of the evolution of the immune system in the clades of Artiodactylamorpha, Ruminantiamorpha, Suinamorpha, and Camelidamorpha have increased with the use of the bottlenose dolphin, Tursiops truncatus, as a sentinel species to study the effects of environmental pollutants on the health of marine mammals. Efforts are currently underway to increase the number reagents needed for detailed studies. Thus far, screening of monoclonal antibodies (mAbs) made to leukocyte differentiation molecules (LDM) and the major histocompatibility (MHC) class I and class II molecules in Ruminantiamorpha have yielded some mAbs that recognize conserved epitopes expressed on orthologues in the bottlenose dolphin. More direct approaches are in progress to identify additional mAbs to bottlenose LDM and cytokines. As reported here, both direct and indirect approaches were used to identify mAbs specific for cytokines useful in monitoring the effects of environmental pollutants on the immune system. Immunization of mice with expressed bottlenose dolphin cytokines yielded mAbs specific for IFN-γ, TNF-α, IL-6, IL-8, IL-10, and IL-17A. Screening of previously developed mAbs used in livestock immunology research revealed mAbs developed against ovine IFN-γ and bovine IL-17 and IL-1β recognize conserved epitopes in bottlenose dolphin orthologues. The mAbs identified in the present study expand the reagents available to study the function of the immune system in bottlenose dolphins and cattle.

Description: The coagulation of hydrosols was investigated theoretically and experimentally. A reduced form of the particle size distribution function, designated “self-preserving,” was found to satisfy Smoluchowski's equations of coagulation by Brownian motion and shear flow. Brownian motion coagulation experiments with two heterogeneous hydrosols showed that the distributions were self-preserving. The rate of coagulation for heterogeneous systems was found to be second order in total particle concentration, consistent with the self-preserving form of the distribution function. Coagulation experiments were carried out in a simple laminar shear field using a homogeneous Dow polystyrene latex dispersion. Smoluchowski's shear flow theory was confirmed for shear rates ranging from 1 to 80 sec.−1 The shear coagulation of a heterogeneous emulsion was studied at several shear rates, and the size distributions were self-preserving.

Description: Knowledge of the spatial distribution of dust aerosols and their effects on crops is important for policy formulation and food security. This study aims to investigate the impact of dust source susceptibility areas (DSSA) on the loss of agricultural crop and corresponding water consumption in terms of Water Footprint in the Great Salt Desert, Iran. To this goal, MODIS satellite images during the 2005–2020 period were used to identify dust sources and 135 dust source zones were identified. Machine learning algorithm viz. Random Forest (RF), generalized linear model (GLM), and Artificial neural network (ANN) were tested to reproduce DSSA. The best method was RF and applied to calculate and classify DSSA in five risk levels from very low to very high. The amount of wheat production under high risk of DSSA was estimated using the average crop yield from recent years using agriculture statistics. We calculated the loss of crops and corresponding water consumption for three scenarios, assuming a typical loss of 20, 40, and 60% of the wheat production for better crop loss estimation. Finally, the spatial relationships between wheat farmland and high-risk DSSA were assessed using ordinary least squares regression (OLS) and geographically weighted regression (GWR) at sub-watershed scale. The area of wheat cultivation in high and very high risk of DSSA is 10188.04 km2, which is 36% of all agricultural land for wheat in the region. Loss of wheat crop to DSSA meant that 1270.58 to 3811 million m3 water used for the production of wheat were lost, corresponding to 2%, to 7% of lost water compared to the total water consumption for wheat production in the study area.

Description: Most air quality stations in Spain exceeded the European Union's daily PM10 limit due to the February 2016 Saharan dust outbreak, which resulted from two successive dust storms in Northwest Africa. This study identifies the meso-β/meso-γ-scale dynamical processes responsible for developing these dust storms using observations and high-resolution Weather Research and Forecasting model coupled with Chemistry simulations. The results revealed that the first dust storm was associated with a strong barrier jet (BJ). The BJ formed on the southeastern foothills of the Saharan Atlas Mountains (SAM) when an easterly-northeasterly low-level Mediterranean flow was blocked by a stably stratified layer close to the SAM. The BJ intensified just after sunrise on 20 February and the associated near-surface peak winds organized the first dust storm. The second dust storm was linked to a mesoscale gravity wave (MGW) and hydraulic jumps. A long-lived westward propagating MGW was triggered by a downslope flow interacting with the stable layer near the northeastern edge of the Tinrhert Plateau in eastern Algeria. When this MGW crossed the Tademaït Plateau, hydraulic jumps formed on its lee side. The strong winds accompanying these hydraulic jumps formed the second dust storm on 21 February. The lifted dust extended over a depth of 2–3 km in the growing daytime boundary layer and was advected poleward by the southerly/southeasterly mid-tropospheric winds. Our results underline the importance of resolving terrain-induced mesoscale processes to understand dust storm dynamics, which are difficult to represent in coarse-resolution numerical models.

Description: Pseudomonas is one the best studied bacterial genera, and it is the genus with the highest number of species among the gram-negative bacteria. Pseudomonas spp. are widely distributed and play relevant ecological roles; several species are commensal or pathogenic to humans, animals and plants. The main aim of the present minireview is the discussion of how the Pseudomonas taxonomy has evolved with the development of bacterial taxonomy since the first description of the genus in 1894. We discuss how the successive implementation of novel methodologies has influenced the taxonomy of the genus and, vice versa, how the taxonomic studies developed in Pseudomonas have introduced novel tools and concepts to bacterial taxonomy. Current phylogenomic analyses of the family Pseudomonadaceae demonstrate that a considerable number of named Pseudomonas spp. are not monophyletic with P. aeruginosa, the type species of the genus, and that a reorganization of several genera can be foreseen. Phylogenomics of Pseudomonas, Azomonas and Azotobacter within the Pseudomonadaceae is presented as a case study. Five new genus names are delineated to accommodate five well-defined phylogenetic branches that are supported by the shared genes in each group, and two of them can be differentiated by physiological and ecological properties: the recently described genus Halopseudomonas and the genus Stutzerimonas proposed in the present study. Five former Pseudomonas species are transferred to Halopseudomonas and 10 species to Stutzerimonas.

Description: Highlights • Broad analysis of bias propagation with seven irradiance data sets in PV model. • We identify seasonal and regional biases in irradiance and PV power. • There is no single data set performing best in all metrics for means and variability. Abstract Model estimates of expected photovoltaic (PV) power production rely on accurate irradiance data. Reanalysis and satellite products freely provide irradiance data with a high temporal and spatial resolution including locations for which no ground-based measurements are available. We assess differences in such gridded irradiance data and quantify the subsequent bias propagation from individual radiation components to capacity factors in a contemporary PV model. PV power production is simulated based on four reanalysis (ERA5, COSMO-REA6, COSMO-REA6pp, COSMO-REA2) and three satellite products (CAMS, SARAH-2, CERES Syn1Deg). The results are compared against simulations using measurements from 30 weather stations of the German Weather Service. We compute metrics characterizing biases in seasonal and annual means, day-to-day variability and extremes in PV power. Our results highlight a bias of −1.4% (COSMO-REA6) to ＋8.2% (ERA5) in annual and spatial means of PV power production for Germany. No single data set is best in all metrics, although SARAH-2 and the postprocessed COSMO-REA6 data (COSMO-REA6pp) outperform the other products for many metrics. SARAH-2 yields good results in summer, but overestimates PV output in winter by 16% averaged across all stations. COSMO-REA6pp represents day-to-day variability in the PV power production of a simulated PV fleet best and has a particularly small bias of 0.5% in annual means. This is at least in parts due to compensating biases in local and seasonal means. Our results imply that gridded irradiance data should be used with caution for site assessments and ideally be complemented by local measurements.

Description: Submarine geomorphology, the study of landforms and processes within the submarine domain, is a young discipline that owes its birth to technological achievements that made it possible to explore the underwater sphere of our Earth system. Submarine domains represent over 70% of Earth's surface, i.e. the largest geomorphic system on our planet (more than twice the size of what we can observe on Earth's land surface). From the middle of the last century onwards, technological advances have led to more and more high-performance acoustic equipment and robotic underwater systems, enabling us to depict and investigate, in ever greater detail, parts of the ocean floor long thought to be unfathomable. The present chapter gives an overview of the extent to which technological progress has strongly determined the way in which the study of landscapes and landforms within the submarine domain is approached, creating substantial differences to approaches used in classical studies of geomorphology. Main drivers of seafloor geomorphic changes are introduced to provide a representative summary of the variety of landforms generated by the action of a range of tectonic, sedimentary, and bio-geochemical processes, including the impact of human activity. The chapter concludes with a brief discussion on the relevance of the applied value of submarine geomorphological research, its new trends, and the key contribution it is providing to confirming the importance of geomorphology to the full range of Earth system sciences and environment-related topics.

Description: This chapter gives an overview of the general biogeochemistry in the Mediterranean Sea explaining the particularities of the main biogeochemical variables and the physical, biological, and geochemical processes driving their distribution in the main basins of this marginal sea. Each subsection focuses on one essential variable, starting from dissolved oxygen and following inorganic nutrients, dissolved organic carbon and the CO2 system. A brief overview on the utility of those biogeochemical variables to identify water masses is also given. The chapter concludes with a summary of the projections and threats on biogeochemistry in the Mediterranean Sea under different future climate change scenarios.

Description: We emphasize the importance of marine silicate weathering (MSiW) reactions in anoxic sediment as fundamental in generating alkalinity and cations needed for carbonate precipitation and preservation along continental margins. We use a model that couples thermodynamics with aqueous geochemistry to show that the CO2 released during methanogenesis results in a drop in pH to 6.0; unless these protons are buffered by MSiW, carbonate minerals will dissolve. We present data from two regions: the India passive margin and the active subduction zone off Japan, where ash and/or rivers supply the reactive silicate phase, as reflected in strontium isotope data. Offshore India and Korea, alteration of continent-derived silicates results in pore water enriched in radiogenic 87Sr, with 87Sr/86Sr ratios as high as 0.7095 and 0.7104, respectively. Off Japan, strontium in pore water influenced by ash alteration is depleted in 87Sr, with 87Sr/86Sr as low as 0.7065. Carbonate minerals formed by alkalinity and cations generated through MSiW carry these strontium isotopic signals, and are typically dolomite, siderite, and Fe-rich calcite. These contrast with the aragonite and high-magnesium calcite that form during anaerobic oxidation of methane and incorporate the coeval seawater 87Sr/86Sr signal. We show that MSiW is necessary for authigenic carbonate formation and preservation along continental margins, which remove carbon from Earth's surface at rates previously estimated to be at least 1012 mol yr−1. In addition, these authigenic carbonates are of relevance to studies of the deep biosphere, fluid flow, seismogenesis, slope stability, and reservoir characteristics.

Description: Highlights • Cadomian continental arc crust of NE Iran was built during ∼15 Myr of magmatism. • Magmatic flare-up in Iran Cadomia occurred over ∼45 Myr; 570 to 525 Ma. • Geochemical differentiation in “hot zones” built the stratified continental crust of Iran. Abstract The generation and differentiation of continental crust by arc magmatism is strongly influenced by episodes of high magmatic flux (“flare-ups”). Magmatic flare-ups encourage the development of deep crustal hot zones where magmatic differentiation and density stratification combine to form the upper felsic and lower mafic continental crust. Such processes, which are responsible for the construction of continental arc crust, are prolonged events, which build a ∼30-40 km arc crust over tens of million years (∼100 Myr). New zircon U-Pb data reveal that the construction of Cadomian crust from NE Iran occurred over ∼15 ± 0.3 Myr. However, compiled zircon U-Pb ages reveal a prolonged magmatic flare-up of ∼45 Myr; ∼570 to 525 Ma. Basement outcrops in NE Iran expose lower- and upper crust that show how magmatic-geochemical differentiation occurred deep beneath a Cadomian continental arc in a crustal hot zone. Isotopic data for igneous rocks produced during this 45 Myr episode reveal interactions between mantle-derived melts and old continental crust. Synthesis of new and published data indicates that this type of interaction is common during periods of high magmatic fluxes. Our results indicate that differentiation of mafic melts in the lower crust during prolonged magmatic flare-ups plays a key role in building a stratified continental crust.

Description: Highlights • Total amount of generated biogenic methane is estimated at ~3100 Gt. • Total amount of generated thermogenic methane is estimated at ~1,560 Gt. • The Maykop formation is partially productive in the central basin and not yet fully productive towards the basin peripherals. A new numerical model reconstructing the depositional history (98–0 Ma) of the Western Black Sea sub-basin is presented. The model accounts for changing boundary conditions (i.e. water depth, bottom water temperature, heat flow evolution over time) and estimates the rates and total amounts of the in-situ biogenic methane generation and thermally-driven organic matter maturation in the source rocks. The overall thermogenic and biogenic gas generation predicted by the model is estimated at ~1560 Gt and ~3100 Gt, respectively.

Description: The clumped isotope (Δ47) proxy is a promising geochemical tool to reconstruct past ocean temperatures far back in time and in unknown settings, due to its unique thermodynamic basis that renders it independent from other environmental factors like seawater composition. Although previously hampered by large sample-size requirements, recent methodological advances have made the paleoceanographic application of Δ47 on small (〈5 mg) foraminifer samples possible. Previous studies show a reasonable match between Δ47 calibrations based on synthetic carbonate and various species of planktonic foraminifers. However, studies performed before recent methodological advances were based on relatively few species and data treatment that is now outdated. To overcome these limitations and elucidate species-specific effects, we analyzed 14 species of planktonic foraminifers in sediment surface samples from 13 sites, covering a growth temperature range of ∼0–28 °C. We selected mixed layer-dwelling and deep-dwelling species from a wide range of ocean settings to evaluate the feasibility of temperature reconstructions for different water depths. Various techniques to estimate foraminifer calcification temperatures were tested in order to assess their effects on the calibration and to find the most suitable approach. Results from this study generally confirm previous findings that there are no species-specific effects on the Δ47-temperature relationship in planktonic foraminifers, with one possible exception. Various morphotypes of Globigerinoides ruber were found to often deviate from the general trend determined for planktonic foraminifers. Our data are in excellent agreement with a recent foraminifer calibration study that was performed with a different analytical setup, as well as with a calibration based exclusively on benthic foraminifers. A combined, methodologically homogenized dataset also reveals very good agreement with an inorganic calibration based on travertines. Our findings highlight the potential of the Δ47 paleothermometer to be applied to recent and extinct species alike to study surface ocean temperatures as well as thermocline variability for a multitude of settings and time scales.

Description: Deformation during CO2 injection can lead to problems, like seismicity or fluid leaks, but small strains have the potential to be a useful signal for monitoring. The objective of this paper is to evaluate the possible evolution of the strain field during injection, and then assess existing and emerging techniques for measuring the strain field. Poroelastic analyses show that normal strains caused by injection into a reservoir are tensile in the vicinity of the well, but everywhere else at least one strain component is compressive. The vertical strain is compressive in the confining unit, and the radial strain decreases and changes sign from tensile to compressive with distance from the well. Tilting is away from the injection well at the ground surface, but it is towards the well overlying the reservoir. Methods for measuring in-situ strain include instruments that are grouted in the annulus between casing and wall rock (∼ 0.1 microstrain resolution), portable strain sensors that are temporarily clamped to the borehole wall (∼ 0.01 microstrain resolution), and strainmeters that are grouted in place (∼0.001 microstrain resolution). Instruments for measuring in-situ normal strains at the magnitudes and rates expected during injection are emerging, but they have yet to be fully evaluated in applications related to CO2 storage. In-situ strain data measured with emerging instruments promises to fill an important gap between the episodes of fast strain rates measured by seismic data, and the slow strains measured over relatively long periods of time by InSAR and GPS.

Description: Estuarine systems are of key importance for the riverine input of silicon (Si) to the ocean, which is a limiting factor of diatom productivity in coastal areas. This study presents a field dataset of surface dissolved Si isotopic compositions (30SiSi(OH)4) obtained in the estuaries of three of the world’s largest rivers, the Amazon (ARE), Yangtze (YRE), and Pearl (PRE), which cover different climate zones. While 30SiSi(OH)4 behaved conservatively in the YRE and PRE supporting a dominant control by water mass mixing, significantly increased 30SiSi(OH)4 signatures due to diatom utilization of Si(OH)4 were observed in the ARE and reflected a Si isotopic enrichment factor 30 of −1.0±0.4‰ (Rayleigh model) or −1.6±0.4‰ (steady state model). In addition, seasonal variability of Si isotope behavior in the YRE was observed by comparison to previous work and most likely resulted from changes in water residence time, temperature, and light level. Based on the 30 value obtained for the ARE, we estimate that the global average 30SiSi(OH)4 entering the ocean is 0.2-0.3‰ higher than that of the rivers due to Si retention in estuaries. This systematic modification of riverine Si isotopic compositions during estuarine mixing, as well as the seasonality of Si isotope dynamics in single estuaries, needs to be taken into account for better constraining the role of large river estuaries in the oceanic Si cycle.

Description: Highlights: • Assessment of the Indian Ocean simulation from global forced sea- ice models. • SST biases are 2 times smaller in forced simulations than the coupled simulations. • Coupled model shows large inter-model spread over the eastern equatorial Indian Ocean. • Refinement in model horizontal resolution does not significantly improve simulations. • Uncover a secondary pathway of northward cross-equatorial transport along 75 °E. • Models are unable to capture the observed thick barrier layer in the north Bay of Bengal. Abstract: We present an analysis of annual and seasonal mean characteristics of the Indian Ocean circulation and water masses from 16 global ocean–sea-ice model simulations that follow the Coordinated Ocean-ice Reference Experiments (CORE) interannual protocol (CORE-II). All simulations show a similar large-scale tropical current system, but with differences in the Equatorial Undercurrent. Most CORE-II models simulate the structure of the Cross Equatorial Cell (CEC) in the Indian Ocean. We uncover a previously unidentified secondary pathway of northward cross-equatorial transport along 75 °E, thus complementing the pathway near the Somali Coast. This secondary pathway is most prominent in the models which represent topography realistically, thus suggesting a need for realistic bathymetry in climate models. When probing the water mass structure in the upper ocean, we find that the salinity profiles are closer to observations in geopotential (level) models than in isopycnal models. More generally, we find that biases are model dependent, thus suggesting a grouping into model lineage, formulation of the surface boundary, vertical coordinate and surface salinity restoring. Refinement in model horizontal resolution (one degree versus degree) does not significantly improve simulations, though there are some marginal improvements in the salinity and barrier layer results. The results in turn suggest that a focus on improving physical parameterizations (e.g. boundary layer processes) may offer more near-term advances in Indian Ocean simulations than refined grid resolution.

Description: Tracking climate change and its relationships with chemical weathering and massive volcanic activity in deep-time greatly improves our understanding of the Earth's climate system. The Permo-Carboniferous period is a critical time interval with million year-scale glacial-deglacial cycles and massive basaltic volcanism, such as the Skagerrak-Centered (also named Skagerrak or Jutland) large igneous province. To explore the volcanism-climate interactions in this period, we obtained high precision CA-TIMS U-Pb zircon ages for three tuffaceous layers from a cored upper Pennsylvanian-lower Permian marginal marine succession in southern North China. These ages calibrate the Permo-Carboniferous biostratigraphy between ∼301–296 Ma in North China. From this dated core succession, mudrock samples and their calculated weathering index values were screened to constrain the weathering trends for the source landscapes and demonstrate a rapid increase with a subsequent decrease in source chemical weathering intensity during the period of ∼299 to 296.5 Ma. These trends coincide with the southern Gondwana glacial records, low latitude temperature changes, relative sea-level variations, and shifts in atmospheric pCO2 that together document an earliest Permian climate warming-cooling perturbation with a temperature maximum at ∼298 Ma. This climate warming in the Permo-Carboniferous icehouse correlates with the emplacement of the Skagerrak-Centered large igneous province, which likely released voluminous CO2 that led to climate warming during the Permo-Carboniferous transition. The immediately following cooling could possibly result from the rapid post-eruptional weathering of the massive basaltic rocks of this province in tropical latitudes, which would have sequestered atmospheric CO2 and promoted return to cooler icehouse conditions. This study supports the assertation that massive basaltic volcanism could first cause rapid climate warming and then may have an overall net cooling effect as previously suggested for the Deccan Traps and the Central Atlantic Magmatic Province.

Description: Highlights • High-Ti lavas have the same composition as Walvis Ridge and Gough Subtrack. • Low-Ti lavas are derived from a distinct source compare to the high-Ti lavas. • High-Ti and low-Ti basalts reflect the spatial zonation of the plume head. • Tristan-type composition has not been discovered in the plume head stage. • Sr-Nd-Pb-Hf isotopes from Etendeka flood basalts. Abstract The origin and distribution of geochemically distinct source components in continental flood volcanism (generally associated with the initial phase of a mantle plume head) are poorly understood. Here we present new geochemical (major and trace element and Sr-Nd-Pb-Hf isotope) data from the Etendeka flood basalts and associated dikes from northern and central Namibia that are believed to have been produced during the initial stage of the Tristan-Gough hotspot. Following earlier studies, the Etendeka lava flows and dikes are divided into high-Ti and low-Ti groups. The trace element and isotopic composition of the high-Ti tholeiitic basalts, exclusively outcropping in northern Etendeka (northwestern Namibia), are similar to the Gough-type enriched mantle I (EMI) composition found on the Walvis Ridge (the Atlantic type locality for the EMI end member). The low-Ti tholeiitic basalts, primarily outcropping in Southern Etendeka (central western Namibia), have higher 143Nd/144Nd and 207Pb/204Pb but lower 208Pb/204Pb ratios than the Gough composition. Combining our data with newly published 3He/4He data and estimates of the magma source’s potential temperature from 1520-1680◦C, we conclude that the source of the low-Ti basalts was also intrinsic to the Tristan-Gough plume, consistent with a spatially-zoned plume head. The low-Ti basalts were derived from a distinct EMI-type source component that has thus far only been detected in the initial Tristan-Gough plume head (∼132 Ma), but not the later submarine hotspot track.

Description: Oceanic island basalts are targeted for geochemical study because they provide a direct window into mantle composition and a wealth of information on the dynamics and timescales associated with Earth mixing. Previous studies mainly focused on the shield volcanic stage of oceanic islands and the more fusible, enriched mantle components that are easily distinguished in those basalts. Mantle depleted compositions are typically more difficult to resolve unless large amounts of this material participated in mantle melting (e.g., mid-ocean ridges), or unique processes allow for their compositions to be erupted undiluted, such as very small degrees of melting of a source with minimal fusible enriched components (e.g., rejuvenated basalts) or as xenoliths (e.g., abyssal peridotites). Mantle depleted components, defined here as material with low time-integrated Rb/Sr (low 87Sr/86Sr) and high time-integrated Sm/Nd and Lu/Hf ratios (high 143Nd/144Nd and 176Hf/177Hf) relative to primitive mantle, derive from a potentially very large volume reservoir (up to 80% of the mantle), and therefore need adequate characterization in order estimate the composition of the Earth and mantle-derived melts. This review focuses on mantle depleted compositions in oceanic island basalts using the Hawaiian-Emperor chain as a case study. The Hawaiian-Emperor chain is the ∼6000 km long geological record of the deeply sourced Hawaiian mantle plume, active for 〉81 Myr. Hawaiian volcanism evolves through four volcanic stages as a volcano traverses the Hawaiian plume: alkalic preshield, tholeiitic shield (80–90% volcano volume), alkalic postshield (∼1%), and silica undersaturated rejuvenated (〈0.1%). We report Pb-Sr-Nd-Hf isotope compositions and trace element concentrations of three rejuvenated Northwest Hawaiian Ridge basalts and compare them to an exhaustive compiled dataset of basalts from the Hawaiian Islands to the Emperor Seamounts. The Northwest Hawaiian Ridge (NWHR) includes 51 volcanoes spanning ∼42 m.y. between the bend in the Hawaiian-Emperor chain and the Hawaiian Islands where there is no high-precision isotopic data published on the rejuvenated-stage over ∼47% of the chain. NWHR and Hawaiian Island rejuvenated basalts are geochemically similar, indicating a consistent source for rejuvenated volcanism over ∼12.5 million years. In contrast, shield-stage basalts from the oldest Emperor Seamounts are more depleted in isotopic composition (i.e., higher 176Hf/177Hf, and 143Nd/144Nd with lower 87Sr/86Sr and 208Pb*/206Pb*) and trace element concentrations (i.e., much lower concentrations of highly incompatible elements) than all other depleted Hawaiian basalts younger than the bend, including NWHR rejuvenated basalts. The strongly depleted source for the oldest Emperor Seamounts (〉70 Ma) was likely related to interaction with the Kula-Pacific-Izanagi mid-ocean ridge spreading system active near the Hawaiian plume in the Late Cretaceous. In contrast, the incompatible trace element ratios of NWHR rejuvenated basalts require a distinct source in the Hawaiian mantle plume that was imprinted by ancient (〉1 Ga) partial melting, likely ancient recycled oceanic lithosphere. This review of the geochemistry of Hawaiian depleted components documents the need for the sampling of multiple distinctive depleted compositions, each preferentially melted during specific periods of Hawaiian plume activity. This suggests that the composition of depleted components can evolve during the lifetime of the mantle plume, as observed for enriched components in the Hawaiian mantle plume. Changes in the composition of depleted components are dominantly controlled by the upper mantle tectonic configurations at the time of eruption (i.e., proximity to a mid-ocean ridge), as this effect overwhelms the signal imparted by potentially sampling different lower mantle components through time.

Description: Highlights • The syntectonic Otjimbingwe alkaline complex (Namibia) is ca. 545 Ma old. • Metasomatized mantle-derived melts are modified by AFC and accumulation processes. • The alkaline melts intruded during extensional tectonics during flat subduction. The ~545 Ma-old syn-collisional Otjimbingwe alkaline complex is composed of pyroxene-amphibole-biotite-bearing, mildly nepheline-normative to quartz-normative rocks ranging in composition from monzogabbro to monzonite, syenite and granite. The alkaline rocks have moderate to high SiO2 (50.5–73.0 wt%) and Na2O + K2O (5.1–11.5 wt%) and moderate to low MgO (6.6–0.2 wt%) concentrations. All samples have high large ion lithophile element (LILE: Ba up to 4600 ppm) and high-field-strength element contents (HFSE; Zr: 155–1328 ppm; Nb: 16–110 ppm; Ta: 1.4–7.1 ppm and Hf: 4–24 ppm) and have strongly fractionated LREE patterns ((La/Yb)N = 14–51). The most primitive members lack significant negative Eu anomalies. Mantle-normalized multi-element diagrams show depletion in Ba, Rb, Nb (Ta), P and Ti. The alkaline rocks have moderate radiogenic initial 87Sr/86Sr ratios (0.7061–0.7087) and unradiogenic initial ɛNd values (−3.9 to −6.1). This isotope signature, associated with high LREE/HFSE ratios indicates that the parental melts were generated in enriched portions of the shallow lithospheric mantle, which was probably affected by previous subduction zone processes. In addition, correlations between Sr and Nd isotopes indicate that some of these variations result from combined crustal assimilation and fractional crystallization (AFC) processes. A new model of flat subduction is presented that explains most of the unsolved problems in the orogenic evolution of the Damara orogen, namely (i) the absence of early intrusive rocks with a clear subduction zone setting, (ii) the absence of high-pressure rocks such as blueschists and eclogites, (iii) the unusual distribution of igneous rocks with a clear predominance of granite and granodiorite and (iv) the need for a asthenospheric window during a classical subduction to explain the high T/moderate P granulite facies conditions in the overriding plate.

Description: Glacial meltwater is an important source of bioessential trace elements to high latitude oceans. Upon delivery to coastal waters, glacially sourced particulate trace elements are processed during early diagenesis in sediments and may be sequestered or recycled back to the water column depending on local biogeochemical conditions. In the glaciated fjords of Svalbard, large amounts of reactive Fe and Mn (oxyhydr)oxides are delivered to the sediment by glacial discharge, resulting in pronounced Fe and Mn cycling concurrent with microbial sulfate reduction. In order to investigate the diagenetic cycling of selected trace elements (As, Co, Cu, Mo, Ni, and U) in this system, we collected sediment cores from two Svalbard fjords, Van Keulenfjorden and Van Mijenfjorden, in a transect along the head-to-mouth fjord axis and analyzed aqueous and solid phase geochemistry with respect to trace elements, sulfur, and carbon along with sulfate reduction rates. We found that Co and Ni associate with Fe and Mn (oxyhydr)oxides and enter the pore water upon reductive metal oxide dissolution. Copper is enriched in the solid phase where sulfate reduction rates are high, likely due to reactions with H2S and the formation of sulfide minerals. Uranium accumulates in the solid phase likely following reduction by both Fe- and sulfate-reducing bacteria, while Mo adsorbs to Fe and Mn (oxyhydr)oxides in the surface sediment and is removed from the pore water at depth where sulfidization makes it particle-reactive. Arsenic is tightly coupled to Fe redox cycling and its partitioning between solid and dissolved phases is influenced by competition with FeS for adsorption sites on crystalline Fe oxides. Differences in trace element cycling between the two fjords suggest delivery of varying amount and composition of tidewater glacier (Van Keulenfjorden) and meltwater stream (Van Mijenfjorden) material, likely related to oxidative processes occurring in meltwater streams. This processing produces a partially weathered, more reactive sediment that is subject to stronger redox cycling of Fe, Mn, S, and associated trace elements upon delivery to Van Mijenfjorden. With climate warming, the patterns of trace element cycling observed in Van Mijenfjorden may also become more prevalent in other Svalbard fjords as tidewater glaciers retreat into meltwater stream valleys.

Description: Highlights • Highly variable sea-ice conditions off eastern North Greenland during the Holocene. • The mid to late Holocene is characterized by seasonal to marginal sea-ice conditions. • Seasonal formation of the Northeast-Water (NEW) Polynya during the last 1 ka. Understanding the processes controlling the natural variability of sea ice in the Arctic, one of the most dynamic components of the climate system, can help to constrain the effects of future climate change in this highly sensitive area. For the first time, a high-resolution biomarker study was carried out to reconstruct past sea-ice variability off eastern North Greenland. This area is strongly influenced by cold surface waters and drift ice transported via the East Greenland Current, meltwater pulses from the outlet glaciers of the Northeast Greenland Ice Stream and the build-up of landfast ice. The well-dated Holocene sedimentary section of Core PS93/025 provides insights into variations of the sea-ice conditions (regional and local sea-ice signal), oceanic and atmospheric circulation and the biotic response to these changes. These biomarker records show a reduced to variable sea-ice cover during the early Holocene between 10.2 and 9.3 ka, followed by a steady increase in sea-ice conditions during the mid Holocene. During the last 5–6 ka, sea-ice conditions remained more stable representing a seasonal to marginal sea-ice situation. Based on our biomarker records, stable sea-ice edge conditions, with a fully developed polynya situation occurred since the last 1 ka.