bluuebunny/crossref_metadata_2025 huggingface dataset:
α‐Fe2O3 Nanoparticles Decorated C@MoS2 Nanosheet Arrays with Expanded Spacing of (002) Plane for Ultrafast and High Li/Na‐Ion Storage
Authors: Zhan Jing , Wu Kuan , Yu Xue , Yang Mengjia , Cao Xu , Lei Bo , Pan Dengyu , Jiang Hu , Wu Minghong
Published: April 2019

MoS2 nanosheets as a promising 2D nanomaterial have extensive applications in energy storage and conversion, but their electrochemical performance is still unsatisfactory as an anode for efficient Li+/Na+ storage. In this work, the design and synthesis of vertically grown MoS2 nanosheet arrays, decorated with graphite carbon and Fe2O3 nanoparticles, on flexible carbon fiber cloth (denoted as Fe2O3@C@MoS2/CFC) is reported. When evaluated as an anode for lithium‐ion batteries, the Fe2O3@C@MoS2/CFC electrode manifests an outstanding electrochemical performance with a high discharge capacity of 1541.2 mAh g−1 at 0.1 A g−1 and a good capacity retention of 80.1% at 1.0 A g−1 after 500 cycles. As for sodium‐ion batteries, it retains a high reversible capacity of 889.4 mAh g−1 at 0.5 A g−1 over 200 cycles. The superior electrochemical performance mainly results from the unique 3D ordered Fe2O3@C@MoS2 array‐type nanostructures and the synergistic effect between the C@MoS2 nanosheet arrays and Fe2O3 nanoparticles. The Fe2O3 nanoparticles act as spacers to steady the structure, and the graphite carbon could be incorporated into MoS2 nanosheets to improve the conductivity of the whole electrode and strengthen the integration of MoS2 nanosheets and CFC by the adhesive role, together ensuring high conductivity and mechanical stability.
Effect of Thermal Cycling on the Structural Evolution of Methylammonium Lead Iodide Monitored around the Phase Transition Temperatures
Authors: Glushkova Anastasiia , Mantulnikovs Konstantins , Giriat Gaétan , Semeniuk Konstantin , Forró László , Horváth Endre , Arakcheeva Alla
Published: April 2019

Optoelectronic devices and solar cells based on organometallic hybrid perovskites have to operate over a broad temperature range, which may contain their structural phase transitions. For instance, the temperature of 330 K, associated with the tetragonal–cubic transformation, may be crossed every day during the operation of solar cells. Therefore, the analysis of thermal cycling effects on structural and electronic properties is of significant importance. This issue is addressed in the case of methylammonium lead iodide (CH3NH3PbI3) across both structural phase transitions (at 160 and 330 K). In situ synchrotron radiation X‐ray diffraction (XRD) data recorded between 140 and 180 K show the emergence of a boundary phase between the orthorhombic and tetragonal phases, which becomes more abundant with successive thermal cycles. At high temperatures, around 330 K, an incommensurately modulated tetragonal phase is formed upon repeated crossings of the phase boundary between tetragonal and cubic phases. These alterations, which indicate a gradual evolution of the material under operating conditions of photovoltaic devices, are further documented by electrical resistivity and heat capacity measurements.
Stochastic density functional theory
Authors: Fabian Marcel D. , Shpiro Ben , Rabani Eran , Neuhauser Daniel , Baer Roi
Published: April 2019

Linear‐scaling implementations of density functional theory (DFT) reach their intended efficiency regime only when applied to systems having a physical size larger than the range of their Kohn–Sham density matrix (DM). This causes a problem since many types of large systems of interest have a rather broad DM range and are therefore not amenable to analysis using DFT methods. For this reason, the recently proposed stochastic DFT (sDFT), avoiding exhaustive DM evaluations, is emerging as an attractive alternative linear‐scaling approach. This review develops a general formulation of sDFT in terms of a (non)orthogonal basis representation and offers an analysis of the statistical errors (SEs) involved in the calculation. Using a new Gaussian‐type basis‐set implementation of sDFT, applied to water clusters and silicon nanocrystals, it demonstrates and explains how the standard deviation and the bias depend on the sampling rate and the system size in various types of calculations. We also develop a basis‐set embedded‐fragments theory, demonstrating its utility for reducing the SEs for energy, density of states and nuclear force calculations. Finally, we discuss the algorithmic complexity of sDFT, showing it has CPU wall‐time linear‐scaling. The method parallelizes well over distributed processors with good scalability and therefore may find use in the upcoming exascale computing architectures.

This article is categorized under:

Electronic Structure Theory > Ab Initio Electronic Structure Methods

Structure and Mechanism > Computational Materials Science

Electronic Structure Theory > Density Functional Theory
Removing ammonium from underground water by strengthening Mn(III) generation through electrochemical reduction
Authors: Shi Xinxin , Shi Julian , Ma Wenhan , Chai Peixu , Huang Tinglin
Published: April 2019

Manganese oxide has been found to be an active catalyst for ammonium oxidation. This work presented an innovative electrochemical system to improve the removal efficiency of ammonium by strengthening the generation of Mn(III). In this system, the manganese oxide coating activated carbon (MnOx/AC) particles were used as the cathode of a fuel cell (MnOx/AC‐Ca). Compared to the conventional method using MnOx in a nonelectrochemical system (MnOx/AC‐Control), the ammonium removal efficiency was doubled in the MnOx/AC‐Ca system. Conversely, when using MnOx as the anode of a fuel cell (MnOx/AC‐An), the ammonium removal efficiency was lower than that in the MnOx/AC‐Control system. XPS results showed that Mn(III) in the MnOx/AC‐Ca system was obviously higher than that in the MnOx/AC‐Control system. Conversely, more Mn(IV), which was less active than Mn(III) for removal, was detected in the MnOx/AC‐An system. The possible pathway for the ammonium removal by MnOx was that Mn(III) reacted with and produced Mn2+. These Mn2+ were then reoxidized into new active MnOx under the self‐catalysis of MnOx, resulting in a continuous ammonium removal. Moreover, nitrite, the intermediate product of ammonium oxidation, can be oxidized by MnOx, thus helping the ammonium oxidation process.

Practitioner points

Mn(III) was generated by using MnOx as the cathode of fuel cells.

Ammonium removal efficiency went up with the content of Mn(III) in MnOx.

Mechanism of the removal by MnOx was discussed.
Recombination in yeast based on six base pairs of homologous sequences: Structural instability in two sets of isomeric model expression plasmids
Authors: Hohnholz Ruben , Achstetter Tilman
Published: April 2019

Multicopy episomal yeast (Saccharomyces cerevisiae) plasmids are frequently employed in research and industrial production despite their known limited structural and segregational stability. Employing a set of six yEGFP3 model expression plasmids (identical in size but differing in the arrangement of their functional sequences, joined via six base pair SacI sequences), we used back transformation of total DNA extracted from yeast transformants into Escherichia coli to detect potential plasmid rearrangements. This approach revealed deletions, translocations, duplications, and flippings of functional sequences in our plasmids based on homologous recombination between the SacI sequences. To extend our findings, we assembled and analysed in the same way a corresponding plasmid set of six isoforms expressing the antibacterial insect peptide defensin A. In 833 individual ampR clones (both sets combined), we traced 28 cases (3.4%) with precise structural changes. However, the frequency in one isoform in the pIFC4.13X series, pIFC4.131, was particularly high with 18.5% (15 out of 81 clones), indicating that the architecture of this plasmid is unfavourable to the host. With an increased sensitivity, a Polymerase Chain Reaction (PCR) approach revealed further structural changes in at least half of the isoforms of each set. The changes are considered the consequence of homologous recombination events involving the SacI sequences in a random fashion. The frequency of plasmid alterations is the product of selection and counterselection seemingly favouring or disfavouring certain structures. Although no sole architectural arrangement stuck out as being particularly stable, we were able to determine with our approach unfavourable sequence associations that should be avoided.
A Monte Carlo global analysis of the Standard Model Effective Field Theory: the top quark sector
Authors: Hartland Nathan P. , Maltoni Fabio , Nocera Emanuele R. , Rojo Juan , Slade Emma , Vryonidou Eleni , Zhang Cen
Published: April 2019

Abstract

We present a novel framework for carrying out global analyses of the Standard Model Effective Field Theory (SMEFT) at dimension-six: SMEFiT. This approach is based on the Monte Carlo replica method for deriving a faithful estimate of the experimental and theoretical uncertainties and enables one to construct the probability distribution in the space of the SMEFT degrees of freedom. As a proof of concept of the SMEFiT methodology, we present a first study of the constraints on the SMEFT provided by top quark production measurements from the LHC. Our analysis includes more than 30 independent measurements from 10 different processes at

$$ \sqrt{s} $$

s

= 8 and 13 TeV such as inclusive

$$ t\overline{t} $$

t

t
¯

and single-top production and the associated production of top quarks with weak vector bosons and the Higgs boson. State-of-the-art theoretical calculations are adopted both for the Standard Model and for the SMEFT contributions, where in the latter case NLO QCD corrections are included for the majority of processes. We derive bounds for the 34 degrees of freedom relevant for the interpretation of the LHC top quark data and compare these bounds with previously reported constraints. Our study illustrates the significant potential of LHC precision measurements to constrain physics beyond the Standard Model in a model-independent way, and paves the way towards a global analysis of the SMEFT.
Cosmological production of dark nuclei
Authors: Redi Michele , Tesi Andrea
Published: April 2019

Abstract

We study the formation of Dark Matter nuclei in scenarios where DM particles are baryons of a new confining gauge force. The dark nucleosynthesis is analogous to the formation of light elements in the SM and requires as a first step the formation of dark deuterium. We compute this process from first principles, using the formalism of pion-less effective theory for nucleon-nucleon interactions. This controlled effective field theory expansion allows us to systematically compute the cross sections for generic SM representations under the assumption of shallow bound states. In the context of vector-like confinement models we find that, for nucleon masses in the TeV range, baryonic DM made of electro-weak constituents can form a significant fraction of dark deuterium and a much smaller fraction of dark tritium. Formation of dark nuclei can also lead to monochromatic photon lines in indirect detection. Models with singlets do not undergo dark nucleosynthesis unless a dark photon is added to the theory.
Sentinel Lymph Node Biopsy in Early Breast Cancer: Magnetic Tracer as the Only Localizing Agent
Authors: Man Vivian , Wong Ting Ting , Co Michael , Suen Dacita , Kwong Ava
Published: April 2019

Background

The combined use of radioisotope and blue dye is the gold standard in sentinel lymph node (SLN) localization in early breast cancer. Superparamagnetic iron oxide (SPIO) has recently emerged as a non‐inferior new tracer in sentinel lymph node mapping with fewer disadvantages. This study represents the first and the largest cohort of superparamagnetic iron oxide application in Asian population.

Methods

Retrospective analysis of a prospectively maintained database was performed from August 2016 to December 2017. All patients with SLN localization by SPIO were included in this study.

Results

A total of 328 breast cancer patients with 333 SLNB procedures were included in this study. Median age was 54 years (range 32–86). Median tumor size was 1.9 cm (range 0.1–12 cm).There were 138 breast‐conserving surgeries and 195 mastectomies. All patients received injection of SPIO 1 day prior to operation. A total of 329 successful sentinel lymph node biopsy (SLNB) procedures were undertaken with 1514 sentinel lymph nodes (SLNs) identified. One hundred and fifty‐three (10.1%) of the SLNs were positive for malignancy. There were 54 patients with macrometastases, 26 with micrometastases and 24 with isolated tumor cells. Sixty‐seven patients underwent subsequent axillary dissection. Four patients failed sentinel lymph node identification with SPIO. The success rate of SPIO in sentinel lymph node localization was 98.8%.

Conclusion

SPIO represents a feasible alternative in sentinel lymph node mapping with comparably high nodal detection rate.
Risk Factors for Violent Dissident Republican Incidents in Belfast: A Comparison of Bombings and Bomb Hoaxes
Authors: Marchment Zoe , Gill Paul , Morrison John
Published: April 2019

Objectives

To identify risk factors for bombings and bomb hoaxes committed by dissident Republicans in Belfast, Northern Ireland.

Methods

Risk terrain modelling (RTM) was applied to each type of incident to identify significant risk layers.

Results

Previous protests and riots [relative risk value (RRV) of 14.07; spatial influence (SI) of 100 m], punishment attacks (RRV 6.56; SI 300 m) and areas dense with pubs and bars (RRV 4.98; SI 200 m) were identified as risk factors for bombings. Punishment attacks (RRV 10.77; SI 100 m), police stations (RRV 8.76; SI of 200 m) and places dense with shops (RRV 6.94; SI 400 m) were identified as risk factors for bomb hoaxes. Descriptive statistics regarding predictive accuracy concluded that half of incidents for both types occurred in high or very high risk cells in a 3-year post-study period.

Conclusions

RTM could be a useful tool in guiding targeted responses to the dissident Republican threat in Belfast. The results suggest that there is some assessment of risk by the offenders, and that they are selecting targets rationally. Due to the differences in risk factors for the two types of events it can be proposed that there may be differences between targets relevant to ideology and realistic targets with increased chance of success.
One-dimensional drift-flux correlations for two-phase flow in medium-size channels
Authors: Hibiki Takashi
Published: April 2019

The drift-flux parameters such as distribution parameter and drift velocity are critical parameters in the one-dimensional two-fluid model used in nuclear thermal-hydraulic system analysis codes. These parameters affect the drag force acting on the gas phase. The accurate prediction of the drift-flux parameters is indispensable to the accurate prediction of the void fraction. Because of this, the current paper conducted a state-of-the-art review on one-dimensional drift-flux correlations for various flow channel geometries and flow orientations. The essential conclusions were: (1) a channel geometry affected the distribution parameter, (2) a boundary condition (adiabatic or diabatic) affected the distribution parameter in a bubbly flow, (3) the drift velocity for a horizontal channel could be approximated to be zero, and (4) the distribution parameter developed for a circular channel was not a good approximation to calculate the distribution parameter for a sub-channel of the rod bundle. In addition to the above, the review covered a newly proposed concept of the two-group drift-flux model to provide the constitutive equation to close the modified gas mixture momentum equation of the two-fluid model mathematically. The review was also extended to the existing drift-flux correlations applicable to a full range of void fraction (Chexel-Lellouche correlation and Bhagwat-Ghajar correlation).
Formation–breakdown cycle of turbulent jets in a rotating fluid
Authors: Atthanayake I. U. , Denissenko P. , Chung Y. M. , Thomas P. J.
Published: April 2019

Results of comprehensive particle image velocimetry measurements investigating the dynamics of turbulent jets in a rotating fluid are presented. It is observed that background system rotation induces a time-periodic formation–breakdown cycle of the jets. The flow dynamics associated with this process is studied in detail. It is found that the frequency of the cycle increases linearly with the background rotation rate. The data show that the onset of the breakdown phase and of the reformation phase of the cycle can be characterized in terms of a local Rossby number employing an internal velocity and a length scale of the jet. The critical values for this local Rossby number, for onset of breakdown and reformation, scale linearly with a global Rossby number based on the flow conditions at the source. The analysis of the experimental data suggests centrifugal instability as the potential origin of the formation–breakdown cycle.
Aspects of the reproductive biology of the blue shark Prionace glauca (Linnaeus, 1758) in the coastal waters of Ivory Coast, West Africa
Authors: Kouamé Kouassi Yves Narcisse , Konan Kouadio Justin , Ouattara Nahoua Issa , Koné Tidiani
Published: April 2019

The blue shark Prionace glauca is the most abundant species in the artisanal driftnet fishery off the coastal waters of Ivory Coast. The reproductive parameters were investigated with the aim of providing basic information on the reproductive biology for fisheries management. A total of 424 specimens (256 males and 168 females) ranging from 170–330 cm in total length (TL) were sampled between August 2014 and November 2016. Sample for embryonic sex ratio was obtained from 18 litters of 503 individuals (255 males and 248 females). The embryonic sex ratio was not significantly different from 1:1 (χ2 = 0.10, P > 0.05, N = 503). The size at 50% maturity (L50) was 218.1 cm TL for males and 223.3 cm TL for females. The litter size based on the number of embryos varied from 6 to 62, with an average of 30 embryos. Mating started in July whereas ovulation, fertilization and uterine eggs occurred in late October–November. Smallest embryos of 3–5 cm in stretch total length (STL) appeared in uterus from November to January. The embryo size varied widely among months, and well-pigmented embryos were already present in April–May samples, although most of them occurred in August–September, suggesting a gestation period of around 11 months. The absence of neonates in catches, as well as parturition females, does not support a hypothesis that parturition takes place in the Gulf of Guinea.
Market food diversity mitigates the effect of environment on women’s dietary diversity in the Agriculture to Nutrition (ATONU) study, Ethiopia
Authors: Ambikapathi Ramya , Gunaratna Nilupa S , Madzorera Isabel , Passarelli Simone , Canavan Chelsey R , Noor Ramadhani A , Madzivhandila Tshilidzi , Sibanda Simbarashe , Abdelmenan Semira , Tadesse Amare Worku , Berhane Yemane , Sibanda Lindiwe Majele , Fawzi Wafaie W
Published: April 2019

Objective

In Ethiopia, women’s dietary diversity is low, primarily due to poor food availability and access, both at home and market level. The present study aimed to describe market access using a new definition called market food diversity (MFD) and estimate the impact of MFD, crop and livestock diversity on dietary diversity among women enrolled in the Agriculture to Nutrition (ATONU) trial.

Design

Baseline cross-sectional data collected from November 2016 to January 2017 were used for the analysis. Availability of foods in markets was assessed at the village level and categorized into nine food groups similar to the dietary diversity index for women. Bivariate and multivariate mixed-effects regression analyses were conducted, adjusted for clustering at the village level.

Setting

Chicken-producing farmers in rural Ethiopia.

Participants

Women (n 2117) aged 15–49 years.

Results

Overall, less than 6 % of women met the minimum dietary diversity (≥5 food groups) and the most commonly consumed food groups were staples and legumes. Median MFD was 4 food groups (interquartile range: 2–8). Multivariate models indicated that women’s dietary diversity differed by livestock diversity, food crop diversity and agroecology, with significant interaction effects between agroecology and MFD.

Conclusions

Women’s dietary diversity is poor in Ethiopia. Local markets are variable in food availability across seasons and agroecological zones. The MFD indicator captures this variability, and women who have access to higher MFD in the highland agroecological zone have better dietary diversity. Thus, MFD has the potential to mitigate the effects of environment on women’s dietary diversity.
The resolution process and the timing of settlement of medical malpractice claims
Authors: Bielen Samantha , Grajzl Peter , Marneffe Wim
Published: April 2019

We draw on uniquely detailed micro-level data from a Belgian professional medical liability insurer to examine how different procedural and legal events that take place during the unfolding of a medical malpractice claim influence the timing of its settlement. Utilizing the competing risks regression framework, we find that settlement hazard is all else equal statistically significantly positively associated with the completion of those procedural and legal events that most effectively reveal factual information about the underlying medical malpractice case. Consistent with theory, settlement hazard is either unassociated or even negatively associated with the completion of other procedural and legal events. Our analysis, therefore, provides policy insights into which aspects of the resolution process could be emphasized, and which de-emphasized, in order to reduce the often excessive duration of medical malpractice claims and its adverse effects on the healthcare system.
Cyber operations and the Second Geneva Convention
Authors: Biller Jeffrey
Published: April 2019

The recently released updated ICRC Commentary on the Second Geneva Convention (GC II) recognizes significant changes in both the conduct of naval conflicts and interpretations of the governing law. One such significant change is the addition of cyber operations to the conduct of naval operations. Modern vessels increasingly utilize computer networks to control critical ship systems, but discussions of how potential cyber operations should be viewed under GC II are understandably limited. This article aids in addressing that gap by analyzing how cyber operations could have implications for certain provisions of GC II.
Mathematische und sprachliche Lernschwierigkeiten
Authors: Prediger Susanne
Published: April 2019

Zusammenfassung. Mathematische Lernschwierigkeiten gehen oft mit sprachlichen Lernschwierigkeiten einher, dies gilt insbesondere für den Aufbau von konzeptuellem Verständnis. Doch was genau ist das Problem, und wie kann es bearbeitet werden? Im Artikel werden für den exemplarischen Lerngegenstand des Multiplikationskonzepts verschiedene Forschungsprojekte aufeinander bezogen, um dieses Beschreibungswissen durch gegenstandsspezifisches Erklärungswissen und Handlungswissen zu ergänzen. Das Beschreibungswissen aus statistischen Befunden wird mittels qualitativer Analysen durch Erklärungswissen ergänzt: Sprachlich schwache Lernende scheinen die für den Aufbau von konzeptuellem Verständnis notwendige Sprachhandlung ‘Erklären von Bedeutung’ oft zu meiden und verfügen meist nicht über die bildungssprachlichen Mittel, sie in der gebotenen präzisen und verdichteten Form zu realisieren. In Bezug auf das Multiplikationskonzept betrifft das die Fokussierung auf die multiplikativen Bündel-Strukturen. Sie wären etwa mit der Phrase „drei 4er“ präzise und effizient zu fassen, diese steht den Kindern aber selten zur Verfügung. Aufbauend auf diesem Erklärungswissen ergänzen Einblicke in zwei Entwicklungsforschungsstudien gegenstandsspezifisches Handlungswissen zu einem sprachbildenden Mathematikunterricht, der die notwendigen Sprachhandlungen und Sprachmittel so fördert, dass auch Kindern mit mathematischen und sprachlichen Schwierigkeiten konzeptuelles Verständnis aufbauen und erklären können.
Complex Social Identities and Intergroup Relations
Authors: Levy Aharon , Zezelj Iris , Branković Marija , Dusanic Srdjan , van Zomeren Martijn , Saguy Tamar , Halperin Eran
Published: April 2019

Abstract. Gateway Groups are characterized by a unique social categorization which enables them to be identified with two or more groups within the context of intergroup relations. Due to their strategic situation, Gateway Groups have been found to have the potential to improve the relations between their distinct social counterparts. In this paper we attempted to replicate the Gateway Group line of research in the Western Balkan context with two different kinds of Gateway Groups: Children of mixed Serb(s) and Bosniak families, and Bosniak citizens of Serbia. As in previous Gateway Group studies, we found that in both cases the exposure to a dually identified Gateway Group lead to a more complex perception of the Gateway Group itself, a higher belief in the potential of the Gateway Group to bridge the relations between the ingroup and the outgroup, and a greater sense of closeness between the ingroup and the outgroup.
Seasonal and Interannual Variations of Sea Temperature Influenced by Galápagos Islands in Eastern Tropical Pacific Ocean
Authors: Chen Yue , Lu Youyu , Zhao Peng , Xu Fanghua , Huang Xing , Huang Xiaomeng
Published: April 2019

The sea surface temperature and surface currents during 1993–2016 based on satellite remote sensing, along with the ocean temperature and currents during 1993–2013 from a data assimilative ocean simulation product, are analyzed to investigate the influence of the Galápagos Islands (GI) in the eastern tropical Pacific on the sea surface temperature. Variations of the cold core west of the GI are quantified by TC − TW, TC − TE, and the cold core area (CCA), where TW, TC, and TE are the sea surface temperature to the west of the cold core, in the cold core, and to the east of the GI, respectively. TC − TE and the CCA show a stronger influence of the GI in boreal fall than in spring, in contrast to TC − TW, which shows a stronger influence in spring than in fall. All three indices show weaker (stronger) GI's influence during El Niño (La Niña) years, but only CCA and TC − TE have significant correlations of −0.66 and 0.61 with the Niño3 index. Variations of TC − TW are related to that of upwelling immediately the west of the GI. Variations of TC − TE and CCA are related to that of the spatial distributions of the upper ocean temperature, the advection of temperature by the horizontal currents, specifically the north branch of the South Equatorial Current, and upwelling in the eastern tropical Pacific.
Antarctic Ice Cloud Identification and Properties Using Downwelling Spectral Radiance From 100 to 1,400 cm−1
Authors: Maestri Tiziano , Arosio Carlo , Rizzi Rolando , Palchetti Luca , Bianchini Giovanni , Del Guasta Massimo
Published: April 2019

One year (2013) of high spectral resolution measurements of downwelling radiance in the 100–1,400 cm−1 range, taken by the Fourier Transform Spectrometer REFIR‐PAD at the research station Concordia (Antarctic Plateau), is analyzed. Optically thin ice clouds are identified by means of a new identification/classification tool based on a Support Vector Machine algorithm. The use of transparent microwindow channels in the Far InfraRed (FIR) spectral region (100–667 cm−1) is shown to be of great importance in the identification and classification of cloud type. In particular, the channels between 380 and 575 cm−1 are key channels for the clear/cloud and phase identification due to their sensitivity to cloud properties; in addition, FIR channels down to 238 cm−1 are exploited for the selection of precipitating or nonprecipitating cases because of their sensitivity also to water vapor content. A subset of 26 cases of nonprecipitating ice clouds is selected based on the presence of colocated LIDAR and radiosonde data. REFIR‐PAD channel in the 800–1,000 cm−1 are used to derived optical and microphysical properties for four different assumptions concerning the crystal habits. Results, showing a correlation between cloud base temperature, optical depth, and particle size distribution effective dimensions, are compared with what found in literature. Based on the retrievals, forward simulations are also run over the whole sensor spectral interval, and results are compared to data. The simulation‐data residuals in the FIR are evaluated for selected “window” channels and analyzed in relation to crystal's habit assumption, cloud retrieved features, and atmospheric water vapor content.
Analysis of Lunar Boulder Tracks: Implications for Trafficability of Pyroclastic Deposits
Authors: Bickel V. T. , Honniball C. I. , Martinez S. N. , Rogaski A. , Sargeant H. M. , Bell S. K. , Czaplinski E. C. , Farrant B. E. , Harrington E. M. , Tolometti G. D. , Kring D. A.
Published: April 2019

In a new era of lunar exploration, pyroclastic deposits have been identified as valuable targets for resource utilization and scientific inquiry. Little is understood about the geomechanical properties and the trafficability of the surface material in these areas, which is essential for successful mission planning and execution. Past incidents with rovers highlight the importance of reliable information about surface properties for future, particularly robotic, lunar mission concepts. Characteristics of 149 boulder tracks are measured in Lunar Reconnaissance Orbiter Narrow Angle Camera images and used to derive the bearing capacity of pyroclastic deposits and, for comparison, mare and highland regions from the surface down to ~5‐m depth, as a measure of trafficability. Results are compared and complemented with bearing capacity values calculated from physical property data collected in situ during Apollo, Surveyor, and Lunokhod missions. Qualitative observations of tracks show no region‐dependent differences, further suggesting similar geomechanical properties in the regions. Generally, bearing capacity increases with depth and decreases with higher slope gradients, independent of the type of region. At depths of 0.19 to 5 m, pyroclastic materials have bearing capacities equal or higher than those of mare and highland material and, thus, may be equally trafficable at surface level. Calculated bearing capacities based on orbital observations are consistent with values derived using in situ data. Bearing capacity values are used to estimate wheel sinkage of rover concepts in pyroclastic deposits. This study's findings can be used in the context of traverse planning, rover design, and in situ extraction of lunar resources.
Lunar Cumulate Mantle Overturn: A Model Constrained by Ilmenite Rheology
Authors: Li Haoyuan , Zhang Nan , Liang Yan , Wu Bingcheng , Dygert Nicholas J. , Huang Jinshui , Parmentier E. M.
Published: April 2019

Lunar cumulate mantle overturn has been proposed to explain the abundances of TiO2 and heat‐producing elements (U, Th, and K) in the source region of lunar basalts. Ilmenite‐bearing cumulates (IBCs) that were formed near the end of lunar magma ocean solidification are the driving force for overturn. IBCs are enriched with dense TiO2 and FeO contents and have lower viscosity and solidus than those of the underlying lunar cumulate mantle. We investigate the effects of temperature‐ and ilmenite‐dependent mantle rheology on the dynamic process of lunar cumulate mantle overturn and conditions for long‐wavelength downwellings of an IBC layer in a 3‐D spherical geometry. Our results show that the ilmenite‐induced rheological weakening is necessary to decouple the IBC layer from the top stagnant lid and facilitate overturn. Models with IBC viscosity derived from the experimental scaling can only produce short‐wavelength downwellings (spherical harmonic degree >3) and show an overturn timescale more than 100 Ma. A viscosity of the IBC layer at least 10−4 lower than that of the ambient mantle can produce the long‐wavelength (spherical harmonic degree ≤3) downwellings in ~10 Ma and even a hemispheric downwelling. Such low IBC viscosity requires additional weakening mechanisms, such as remelting or/and water enrichment. During the overturn, the cold downwellings displace upward the materials from hot lower mantle and produce partial melting in upper mantle, which may serve as a viable mechanism for early lunar magmatisms. The settling of cold downwellings on the core‐mantle boundary stimulates a transient high heat flux, which may contribute to generating an early lunar dynamo event.
The Lunar Paleo‐Magnetosphere: Implications for the Accumulation of Polar Volatile Deposits
Authors: Garrick‐Bethell I. , Poppe A. R. , Fatemi S.
Published: April 2019

Analyses of lunar samples suggest the Moon once possessed a dynamo from ~4.25 Ga until perhaps as recently as 1 Ga, with surface field strengths between ~5 and 100 μT. While the exact timing, strength, and structure of these paleomagnetic fields are not precisely known, such relatively strong fields imply that the Moon also likely possessed a magnetosphere. Here, we present hybrid plasma simulations of the structure and morphology of the putative lunar “paleo‐magnetosphere” for varying surface field strengths and orientations, using ambient solar wind conditions representative of the early Sun. The presence of the paleo‐magnetosphere reduces total solar wind fluxes to the lunar surface overall yet, for a spin‐aligned dynamo, increases the relative solar wind flux to the lunar polar regions. In turn, the paleo‐magnetosphere may have altered the rate of volatile accretion to the Moon over its history.
Thank You to Our 2018 Peer Reviewers
Authors: Geissman John , Jolivet Laurent , Rusmore Margi , Niemi Nathan , Schildgen Taylor
Published: April 2019

An essential, respected, and critical aspect of the modern practice of science and scientific publishing is peer review. The process of peer review facilitates best practices in scientific conduct and communication, ensuring that manuscripts published are as accurate, valuable, and clearly communicated. The over 216 papers published in Tectonics in 2018 benefit from the time, effort, and expertise of our reviewers who have provided thoughtfully considered advice on each manuscript. This role is critical to advancing our understanding of the evolution of the continents and their margins, as these reviews lead to even clearer and higher‐quality papers. In 2018, the over 443 papers submitted to Tectonics were the beneficiaries of more than 1,010 reviews provided by 668 members of the tectonics community and related disciplines. To everyone who has volunteered their time and intellect to peer reviewing, thank you for helping Tectonics and all other AGU Publications provide the best science possible.
Exploiting the interplay between cross-sectional and longitudinal data in Class III malocclusion patients
Authors: Barelli Enrico , Ottaviani Ennio , Auconi Pietro , Caldarelli Guido , Giuntini Veronica , McNamara James A. , Franchi Lorenzo
Published: April 2019

The aim of the study was to investigate how to improve the forecasting of craniofacial unbalance risk during growth among patients affected by Class III malocclusion. To this purpose we used computational methodologies such as Transductive Learning (TL), Boosting (B), and Feature Engineering (FE) instead of the traditional statistical analysis based on Classification trees and logistic models. Such techniques have been applied to cephalometric data from 728 cross-sectional untreated Class III subjects (6–14 years of age) and from 91 untreated Class III subjects followed longitudinally during the growth process. A cephalometric analysis comprising 11 variables has also been performed. The subjects followed longitudinally were divided into two subgroups: favourable and unfavourable growth, in comparison with normal craniofacial growth. With respect to traditional statistical predictive analytics, TL increased the accuracy in identifying subjects at risk of unfavourable growth. TL algorithm was useful in diffusion of information from longitudinal to cross-sectional subjects. The accuracy in identifying high-risk subjects to growth worsening increased from 63% to 78%. Finally, a further increase in identification accuracy, up to 83%, was produced by FE. A ranking of important variables in identifying subjects at risk of growth worsening, therefore, has been obtained.
Author Correction: Photonic Spin Hall Effect in Waveguides Composed of Two Types of Single-Negative Metamaterials
Authors: Guo Zhiwei , Jiang Haitao , Long Yang , Yu Kun , Ren Jie , Xue Chunhua , Chen Hong
Published: April 2019

A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has been fixed in the paper.
Organoid culture media formulated with growth factors of defined cellular activity
Authors: Urbischek Manuela , Rannikmae Helena , Foets Thomas , Ravn Katharina , Hyvönen Marko , de la Roche Marc
Published: April 2019

The media formulations necessary for deriving and sustaining organoids from epithelial tissues such as prostate, colon, gastric, liver, pancreas, and others have been established. Critical components of organoid media are a set of growth factors that include R-spondins and BMP signalling antagonists such as Noggin or Gremlin 1. Currently, the practical limitations for formulating organoid media of reproducible potency and larger-scale media production that have hampered further technological applications of organoid technology include: the cost of growth factors such as R-spondins and Gremlin 1/Noggin and their production as defined specific activities free of contaminants that may affect organoid growth. Here we report the production of highly pure recombinant Gremlin 1 and R-spondin 1 from bacterial expression for use in organoid media. We detail the workflow for Gremlin 1 and R-spondin 1 expression, purification, quantification of cellular activity, quality control and use in media formulated for culturing organoids derived from a number of tissues. The development of precisely formulated, cost-effective media of defined specific activity will engender the development of novel applications for organoid technology.
High-throughput combinatorial screening of multi-component electrolyte additives to improve the performance of Li metal secondary batteries
Authors: Matsuda Shoichi , Nishioka Kiho , Nakanishi Shuji
Published: April 2019

Data-driven material discovery has recently become popular in the field of next-generation secondary batteries. However, it is important to obtain large, high quality data sets to apply data-driven methods such as evolutionary algorithms or Bayesian optimization. Combinatorial high-throughput techniques are an effective approach to obtaining large data sets together with reliable quality. In the present study, we developed a combinatorial high-throughput system (HTS) with a throughput of 400 samples/day. The aim was to identify suitable combinations of additives to improve the performance of lithium metal electrodes for use in lithium batteries. Based on the high-throughput screening of 2002 samples, a specific combination of five additives was selected that drastically improved the coulombic efficiency (CE) of a lithium metal electrode. Importantly, the CE was remarkably decreased merely by removing one of these components, highlighting the synergistic basis of this mixture. The results of this study show that the HTS presented herein is a viable means of accelerating the discovery of ideal yet complex electrolytes with multiple components that are very difficult to identify via conventional bottom-up approach.
The importance of charge redistribution during electrochemical reactions: a density functional theory study of silver orthophosphate (Ag3PO4)
Authors: Cao Xi , Zhang Xueqing , Sinha Rochan , Tao Shuxia , Bieberle-Hütter Anja
Published: April 2019

The charge redistribution during oxygen evolution reaction relates to the electrochemical activity as shown for Ag3PO4 structures.
Catalyst-free synthesis of 2,3-dihydro-1,5-benzothiazepines in a renewable and biodegradable reaction medium
Authors: Yadav Neetu , Yadav Vijay B. , Ansari Mohd Danish , Sagir Hozeyfa , Verma Ankit , Siddiqui I. R.
Published: April 2019

A clean and efficient strategy for the synthesis of benzothiazepines from chalcone and ortho-aminothiophenol has been reported.
Evaluation of excited state bond weakening for ammonia synthesis from a manganese nitride: stepwise proton coupled electron transfer is preferred over hydrogen atom transfer
Authors: Loose Florian , Wang Dian , Tian Lei , Scholes Gregory D. , Knowles Robert R. , Chirik Paul J.
Published: April 2019

Concepts for the thermodynamically challenging synthesis of weak N–H bonds by photoinduced proton coupled electron transfer are explored. By harvesting visible light as driving force, ammonia synthesis was achieved and mechanistically elucidated.
Nickel phthalocyanine as an excellent hole-transport material in inverted planar perovskite solar cells
Authors: Haider Mustafa , Zhen Chao , Wu Tingting , Wu Jinbo , Jia Chunxu , Liu Gang , Cheng Hui-Ming
Published: April 2019

Nickel phthalocyanine as a hole transporting material in inverted planar perovskite solar cells leads to a power conversion efficiency of 14.3%.
Efficient synthesis and enzymatic extension of an N-GlcNAz asparagine building block
Authors: Marqvorsen Mikkel Haarslev Schröder , Paramasivam Sivasinthujah , Doelman Ward , Fairbanks Antony John , van Kasteren Sander Izaäk
Published: April 2019

N-Azidoacetyl-d-glucosamine (GlcNAz) is a particularly useful tool in chemical biology as the azide is a metabolically stable yet accessible handle within biological systems.
Reduction of 1,3,5,7-cyclooctatetraene by a molecular calcium hydride: an even electron polarised insertion/deprotonation mechanism
Authors: Hill Michael S. , Mahon Mary F. , Wilson Andrew S. S. , Dinoi Chiara , Maron Laurent , Richards Emma
Published: April 2019

The reductive aromatisation of 1,3,5,7-cyclooctatetraene by a dimeric calcium hydride occurs via two electron steps and does not necessitate the formation of radical intermediates.
Highly enhanced durability of a graphitic carbon layer decorated PtNi3 alloy electrocatalyst toward the oxygen reduction reaction
Authors: Sun Kui , Li Jia , Wang Feng , He Wenxiang , Fei Minfei , Lu Zhenda , Zhang Huigang , Liu Jianguo , Zou Zhigang
Published: April 2019

An N-doped graphitic carbon layer was for the first time introduced to greatly enhance the durability of a PtNi3/C alloy catalyst in an acidic environment.
Reversible transformation between Cu(i)-thiophenolate coordination polymers displaying luminescence and electrical properties
Authors: Troyano Javier , Castillo Óscar , Amo-Ochoa Pilar , Martínez J. Ignacio , Zamora Félix , Delgado Salomé
Published: April 2019

The direct self-assembly between CuI with thiophenol produces two different 1D coordination polymers (CPs) with multifunctional properties; the ratio CuI in acetonitrile is the key factor determining the reversible conversion between both CPs.
p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers
Authors: Emerson Adrian J. , Knowles Gregory P. , Chaffee Alan L. , Batten Stuart R. , Turner David R.
Published: April 2019

Flexible tetrabenzoate xylylenediamine-based ligands form both discrete and polymeric assemblies, the latter displaying the targeted amine-lined pore spaces.
Ultrafast photodissociation dynamics of pyrazole, imidazole and their deuterated derivatives using ab initio multiple cloning
Authors: Symonds Christopher C. , Makhov Dmitry V. , Cole-Filipiak Neil C. , Green James A. , Stavros Vasilios G. , Shalashilin Dmitrii V.
Published: April 2019

Fully quantum nonadiabatic dynamics calculation of photodissociation of azoles shows good agreement with experiment and foreshadows the predictive ability of the method.
Modifications in coordination structure of Mg[TFSA]2-based supporting salts for high-voltage magnesium rechargeable batteries
Authors: Mandai Toshihiko , Tatesaka Kenji , Soh Kenya , Masu Hyuma , Choudhary Ashu , Tateyama Yoshitaka , Ise Ryuta , Imai Hiroaki , Takeguchi Tatsuya , Kanamura Kiyoshi
Published: April 2019

Systematic structural and electrochemical studies on the Mg[TFSA]2-based electrolytes revealed that the coordination state of [TFSA]− predominates the electrochemical magnesium deposition/dissolution activity.
Relative extent of triple Auger decay in CO and CO2
Authors: Hult Roos A. , Eland J. H. D. , Andersson J. , Wallner M. , Squibb R. J. , Feifel R.
Published: April 2019

Systematic measurements on single and triple Auger decay in CO and CO2 after the creation of a C 1s or a O 1s core vacancy show that the percentage of triple Auger decay is on the order of 10−2 of the single Auger decay in these molecules.
On the interaction of hyaluronic acid with synovial fluid lipid membranes
Authors: Smith Paul , Ziolek Robert M. , Gazzarrini Elena , Owen Dylan M. , Lorenz Christian D.
Published: April 2019

All-atom molecular dynamics simulations have been used to investigate the adsorption of low molecular weight hyaluronic acid to lipid membranes.
Correction: Preconcentration of U(vi) ions on few-layered graphene oxide nanosheets from aqueous solutions
Authors: Zhao Guixia , Wen Tao , Yang Xin , Yang Shubin , Liao Jiali , Hu Jun , Shao Dadong , Wang Xiangke
Published: April 2019

Correction for ‘Preconcentration of U(vi) ions on few-layered graphene oxide nanosheets from aqueous solutions’ by Guixia Zhao et al., Dalton Trans., 2012, 41, 6182–6188.
Progress in understanding the four dominant intra-particle phenomena of lignocellulose pyrolysis: chemical reactions, heat transfer, mass transfer, and phase change
Authors: Pecha M. Brennan , Arbelaez Jorge Ivan Montoya , Garcia-Perez Manuel , Chejne Farid , Ciesielski Peter N.
Published: April 2019

Four principal intra-particle phenomena occur in a highly concerted manner during the pyrolysis of lignocellulosic materials: heat transfer, mass transfer, chemical reactions, and phase changes.
Rapid water/oil interfacial self-assembled Au monolayer nanofilm by simple vortex mixing for surface-enhanced Raman scattering
Authors: Teng Yuanjie , Zhang Yuchao , Ren Zeyu , Wang Zhenni , Liu Wenhan , Shao Kang , Pan Zaifa
Published: April 2019

In this work, a facile surface-enhanced Raman scattering (SERS) substrate formed on a water/oil interface was prepared by addingn-hexane to Au colloids through simple vortex mixing without the involvement of any organic additives.
The role of computer-assisted structure elucidation (CASE) programs in the structure elucidation of complex natural products
Authors: Burns Darcy C. , Mazzola Eugene P. , Reynolds William F.
Published: April 2019

Computer-assisted structure elucidation can help to determine the structures of complex natural products while minimizing the risk of structure errors.
Catalytic mechanism and properties of pyridoxal 5′-phosphate independent racemases: how enzymes alter mismatched acidity and basicity
Authors: Fischer Conrad , Ahn Yeong-Chan , Vederas John C.
Published: April 2019

Understanding of the mechanistic details and distal substrate site recognition characteristics can guide the design of next generation inhibitors for PLP-independent racemases.
Spontaneous MXene monolayer assembly at the liquid–air interface
Authors: Petukhov D. I. , Chumakov A. P. , Kan A. S. , Lebedev V. A. , Eliseev Artem A. , Konovalov O. V. , Eliseev Andrei A.
Published: April 2019

Here we report on the spontaneous assembly of Ti3C2Tx MXene flakes into monolayer films at the liquid–air interface.
Controllable acidophilic dual-emission fluorescent carbonized polymer dots for selective imaging of bacteria
Authors: Zhao Xiaohuan , Tang Qiuling , Zhu Shoujun , Bu Wenhuan , Yang Mingxi , Liu Xinchan , Meng Yang , Yu Weixian , Sun Hongchen , Yang Bai
Published: April 2019

Red/blue dual-emission carbonized polymer dots (CPDs) were synthesized. Due to their sensitive acidophilic properties, selective imaging of bacteria was achievable without further modification of CPDs.