bluuebunny/crossref_metadata_2025 huggingface dataset:
Numerical simulation of seasonal mesoscale atmospheric flow‐field variables using ARW over the Singapore region: impact of land use land cover
Authors: Madala Srikanth , Salinas Santo V. , Miettinen Jukka , Wang Jun
Published: October 2019

In the present study, the effect of land use land cover information on the simulation of seasonal planetary boundary layer (PBL) flow‐field variables over the Singapore region is analysed using the Advanced Research Weather Research and Forecasting (ARW) mesoscale model. The results achieved are compared using the standard ARW Moderate Resolution Imaging Spectroradiometer (ARW‐MODIS) global land cover data and a regional land cover map produced at the Centre for Remote Imaging, Sensing and Processing (ARW‐CRISP), Singapore. The high‐resolution simulations are conducted with triple‐nested domains (horizontal grid spacing 27, 9 and 3 km) and 51 unequally spaced vertical sigma levels. The evolution of PBL variables and rainfall are modelled for four seasons (northeast monsoon season, first inter‐monsoon period, southwest monsoon season and second inter‐monsoon period). For the purpose of numerical simulations, 30 days in each season were considered and the model‐simulated variables were validated with in situ available meteorological observations and rainfall at four stations over Singapore. The simulation results highlight the broad variation of the low‐level flow‐field in different seasons. The ARW mesoscale model simulated diurnal trends in surface meteorological variables and rainfall are in better agreement with observations by using the ARW‐CRISP regional land cover map compared to ARW‐MODIS global land cover data. Stronger winds are found during monsoon seasons compared with inter‐monsoon periods. Overall, the results of the present study indicate that regional level air quality monitoring and prediction capabilities around Singapore can be improved by using up‐to‐date land cover products designed to take into account regional land cover characteristics.
Enhanced thermoelectric performance of poly(3,4‐ethylenedioxythiophene):poly(4‐styrenesulfonate) (PEDOT:PSS) with long‐term humidity stability via sequential treatment with trifluoroacetic acid
Authors: Yemata Temesgen Atnafu , Kyaw Aung Ko Ko , Zheng Yun , Wang Xizu , Zhu Qiang , Chin Wee Shong , Xu Jianwei
Published: October 2019

This paper reports a range of effective sequential chemical processes to enhance the thermoelectric performance of conducting poly(3,4‐ethylenedioxythiophene) films doped with poly(styrene sulfonate) anions (PEDOT:PSS). The electrical conductivity of the PEDOT:PSS films was significantly increased from 0.33 to 3748 S cm−1 after a series of sequential treatments with trifluoroacetic acid (TFA) while the Seebeck coefficient and thermal conductivity were slightly reduced from 17.5 ± 1.2 to 16.0 ± 1.1 μV K−1 and 0.537 to 0.415 W m–1 K−1 for the pristine film and treated film, respectively, leading to a significant improvement in power factor up to 97.1 ± 5.4 μW m–1 K−2. More importantly, around 80% of the electrical conductivity and Seebeck coefficient was retained after 20 days for these TFA‐treated PEDOT:PSS films, revealing the potential for real thermoelectric applications. © 2019 Society of Chemical Industry
Can we see defects in capacitance measurements of thin‐film solar cells?
Authors: Werner Florian , Babbe Finn , Elanzeery Hossam , Siebentritt Susanne
Published: October 2019

Thermal admittance spectroscopy and capacitance‐voltage measurements are well established techniques to study recombination‐active deep defect levels and determine the shallow dopant concentration in photovoltaic absorbers. Applied to thin‐film solar cells or any device stack consisting of multiple layers, interpretation of these capacitance‐based techniques is ambiguous at best. We demonstrate how to assess electrical measurements of thin‐film devices and develop a range of criteria that allow to estimate whether deep defects could consistently explain a given capacitance measurement. We show that a broad parameter space, achieved by exploiting bias voltage, time, and illumination as additional experimental parameters in admittance spectroscopy, helps to distinguish between deep defects and capacitive contributions from transport barriers or additional layers in the device stack. On the example of Cu(In,Ga)Se2 thin‐film solar cells, we show that slow trap states are indeed present but cannot be resolved in typical admittance spectra. We explain the common N1 signature by the presence of a capacitive barrier layer and show that the shallow net dopant concentration is not distributed uniformly within the depth of the absorber.
Tissue Proteome Signatures Associated with Five Grades of Prostate Cancer and Benign Prostatic Hyperplasia
Authors: Kawahara Rebeca , Recuero Saulo , Nogueira Fabio C. S. , Domont Gilberto B. , Leite Katia R. M. , Srougi Miguel , Thaysen‐Andersen Morten , Palmisano Giuseppe
Published: October 2019

The histology‐based Gleason score (GS) of prostate cancer (PCa) tissue biopsy is the most accurate predictor of disease aggressiveness and an important measure to guide treatment strategies and patient management. The variability associated with PCa tumor sampling and the subjective determination of the GS are challenges that limit accurate diagnostication and prognostication. Thus, novel molecular signatures are needed to distinguish between indolent and aggressive forms of PCa for better patient management and outcomes. Herein, label‐free LC‐MS/MS proteomics is used to profile the proteome of 50 PCa tissues spanning five grade groups (n = 10 per group) relative to tissues from individuals with benign prostatic hyperplasia (BPH). Over 2000 proteins are identified albeit at different levels between and within the patient groups, revealing biological processes associated with specific grades. A panel of 11 prostate‐derived proteins including IGKV3D‐20, RNASET2, TACC2, ANXA7, LMOD1, PRCP, GYG1, NDUFV1, H1FX, APOBEC3C, and CTSZ display the potential to stratify patients from low and high PCa grade groups. Parallel reaction monitoring of the same sample cohort validate the differential expression of LMOD1, GYG1, IGKV3D‐20, and RNASET2. The four proteins associated with low and high PCa grades reported here warrant further exploration as candidate biomarkers for PCa aggressiveness.
trans‐Stilbene epoxidation by He+O2 atmospheric pressure plasma: Epoxidation without oxidant waste stream
Authors: Xu Han , Wang Sui , Shaban Muhammad , Montazersadgh Faraz , Alkayal Anas , Liu Dingxin , Kong Michael G. , Buckley Benjamin R. , Iza Felipe
Published: October 2019

Plasmas interacting with organic liquids can lead to novel synthetic processes that are not feasible with conventional vacuum systems due to vapor pressure limitations. Of particular interest are processes that eliminate the generation of waste streams. Here, we show that He+O2 plasma can drive the epoxidation of alkenes in solution, in a process that generates epoxides without oxidant waste streams, runs at room temperature and atmospheric pressure, and requires no catalyst. The reactions between different reactive oxygen species generated in the plasma and the target alkene, trans‐stilbene in this study, have been identified and optimization of the plasma conditions within the constraints of the current experimental setup has led to yields of ~70%, which are of preparative interest.
Cryo‐electron microscopy targets in CASP13: Overview and evaluation of results
Authors: Kryshtafovych Andriy , Malhotra Sony , Monastyrskyy Bohdan , Cragnolini Tristan , Joseph Agnel‐Praveen , Chiu Wah , Topf Maya
Published: October 2019

Structures of seven CASP13 targets were determined using cryo‐electron microscopy (cryo‐EM) technique with resolution between 3.0 and 4.0 Å. We provide an overview of the experimentally derived structures and describe results of the numerical evaluation of the submitted models. The evaluation is carried out by comparing coordinates of models to those of reference structures (CASP‐style evaluation), as well as checking goodness‐of‐fit of modeled structures to the cryo‐EM density maps. The performance of contributing research groups in the CASP‐style evaluation is measured in terms of backbone accuracy, all‐atom local geometry and similarity of inter‐subunit interfaces. The results on the cryo‐EM targets are compared with those on the whole set of eighty CASP13 targets. A posteriori refinement of the best models in their corresponding cryo‐EM density maps resulted in structures that are very close to the reference structure, including some regions with better fit to the density.
An improved core–shell microcapsule diet for rearing larvae of Mallada basalis (Neuroptera: Chrysopidae)
Authors: Hsu Pei‐Chen , Lu Chiu‐Tung
Published: October 2019

BACKGROUND

Green lacewings (Neuroptera: Chrysopidae) are important beneficial insects that can be raised on artificial diets for culturing experimental lines. An encapsulation method for embedding a core material within a sealed shell to prevent evaporation and biological contamination is crucial for providing food to these predatory insects.

RESULTS

This study presents a new encapsulation process to mass produce a core–shell microcapsule diet for rearing Mallada basalis (Walker) (Neuroptera: Chrysopidae). This new process provided consistent quality control and effectiveness of the microcapsule diet (742.1 ± 11.3 μm in diameter and 44.2 ± 1.9 μm in shell thickness). Furthermore, significant differences were measured in larval development (24.0 ± 0.3 vs. 20.1 ± 0.6 days) and fecundity (465 ± 65.05 vs. 678 ± 54.91 eggs) on comparing the development of M. basalis larvae fed the old and new diets. Survival rates increased in both single‐ and group‐rearing tests for adults fed the new diet during the larval stages. Neither diet affected predation rates for M. basalis larvae preying on nymphs of Aphis gossypii Glover (Hemiptera: Aphididae) and Bemisia argentifolli Bellows and Perring (Hemiptera: Aleyrodidae).

CONCLUSION

Compared with the old process, the new encapsulation process requires reduced effort during preparation, and reduces the weight, cost and space occupied by the equipment. The results of this study suggest that this new spherical microcapsule artificial diet is suitable for group‐rearing of M. basalis and may be appropriate for mass‐rearing of other types of carnivorous insects. © 2019 Society of Chemical Industry
Retracted: A New Cu(I)‐Based Coordination Polymer: Crystal Structure, Molecular Docking and Protective Effect in Streptococcus‐pneumoniae‐Infected Mice by Promoting Immune Cell Response
Authors: Zhang Qiang , Li Heng , Shao Yue , Wang Yong‐Ji
Published: October 2019

In this study, a new Cu(I)‐based coordination polymer (CP) whose chemical formula is [Cu4(CN)4(H2L)](H2O)2(CH3CN)4 (1) has been successfully prepared by reaction of the bipyrazolyl ligand 1H,1′H‐4,4′‐bipyrazole (H2L) and the Cu(NO3)2⋅3H2O. Furthermore, the nanoparticle of complex 1 was prepared by a mechanical grinding technique, which has good water dispersibility. In the in vivo pharmacodynamics and mechanism research, the ELISA was performed to detect the content of IgG in the plasma and the lgA in the alveolar lavage fluid of streptococcus pneumoniae infected mice. After infection and nano 1 treatment, the streptococcus pneumoniae colony numbers were counted by Colony‐Forming Units (CFU) assay for the anti‐bacterial activity evaluation. The drug‐like features of synthesized Cu(I) complex that observed in experiments have been checked into details at the molecular level by performing the molecular docking.
Tetranuclear Zinc and Cobalt Clusters with Dicubane‐Type Topology: Synthesis, Structures, Luminescent and Magnetic Properties
Authors: Sun Hao , Gao Qian , Chhiba Shahil , Chibueze Okolu John , Li Yahong
Published: October 2019

The employment of 1‐((2‐hydroxybenzylidene)amino)‐2,3‐dihydro‐1H‐inden‐2‐ol (H2L) in ZnII and CoII coordination chemistry is reported. Two complexes of compositions [Zn4L4] (1) and [Co4L4] (2) have been synthesized under solvothermal conditions, and fully characterized by X‐ray single crystal diffraction, IR and elemental analysis. They both possess a defect dicubane core. The luminescence studies suggest strong emission for 1 in the solid state at room temperature. Variable temperature (2.0–300 K) magnetic studies for 2 indicate weak ferromagnetic CoII⋅⋅⋅CoII exchange interactions.
Rational Design of Fe2O3 Nanocube‐Based Anodes for High‐Performance Li–Ion Batteries
Authors: Ganesan Vinoth , Park Cheol‐Min
Published: October 2019

To design a high‐performance Fe2O3‐based anode for Li‐ion batteries (LIBs), Fe2O3 nanocubes (Fe2O3–NCs) and their graphite‐modified (Fe2O3–NCs–G) composite were synthesized using a simple two‐step method. The Fe2O3–NCs–G composite consisted of homogeneously distributed individual Fe2O3–NCs with graphite matrices, which were confirmed by X‐ray diffraction (XRD) and scanning electron microscopy. In addition, the Fe2O3–NCs–G composite delivered a high specific surface area and good electrical conductivity. To demonstrate the electrochemical Li insertion/extraction mechanism of the Fe2O3–NCs–G composite electrodes, ex‐situ XRD and Fe K‐edge extended X‐ray absorption fine structure analyses were performed. Because of its structural merits, the synthesized Fe2O3–NCs–G composite exhibited high electrochemical performance featuring a high reversible capacity of 865 mAh g−1 after 100 cycles and a fast rate capability, thus demonstrating its high possibility for high‐performance LIBs.
A New Strategy for the Synthesis of 4‐Propargyl‐Substituted 1H‐Pyrroles fromN‐(5‐phenyl‐2,4‐pentadiynyl) β‐Enaminones
Authors: Yilmaz Elif Serel , Zora Metin
Published: October 2019

A new method for the synthesis of 4‐propargyl‐substituted 1H‐pyrroles is described. When treated with sodium hydride in refluxing dichloromethane,N‐(5‐phenyl‐2,4‐pentadiynyl) β‐enaminones, synthesized by the coupling ofN‐propargylic β‐enaminones with phenylacetylene, afforded 4‐propargyl‐substituted pyrrole derivatives. This conversion was general for a variety ofN‐(5‐phenyl‐2,4‐pentadiynyl) β‐enaminones and displayed broad functional group tolerance. During the reaction, not only cyclization of linear precursors to pyrrole ring takes place, but also propargyl group is introduced to pyrrole core in one‐pot. The enrichment of pyrrole compounds with a propargyl unit might exhibit potential for the synthesis of heterocyclic molecules of pharmacological interest.
Investigating the Biological Activity of Imidazolium Aurate Salts
Authors: Sioriki Eleni , Gaillard Sylvain , Nahra Fady , Imad Rehan , Ullah Khair , Wajid Sheeba , Sharif Danish , Fayyaz Sharmeen , Arshad Fiza , Choudhary M. Iqbal , Nolan Steven P.
Published: October 2019

We report herein the biological activities of several imidazolium aurate(I) salts. The cytotoxicity on three cell‐lines (i. e. Hela, H460 and 3T3), enzyme inhibition on a panel of five enzymes (i. e. prolyl endopeptidase, butyrylcholinesterase, tyrosinase, dipeptidyl peptidase and carbonic anhydrase), iron chelation and in vitro Leishmanicidal assay for promastigotes are described. A comparison with other data found in the literature using similar standards to our control experiment is also discussed. Finally, all these data lead us to establish some structure‐activity correlations and to determine the potential importance of the gold moiety in these salts.
Selectfluor‐Mediated Direct C‐H Phosphonation of Quinoxalin‐2(1H)‐ones under Base and Transition‐Metal Free Conditions
Authors: Mai Wen‐Peng , Yuan Jin‐Wei , Zhu Jun‐Liang , Li Qiang‐Qiang , Yang Liang‐Ru , Xiao Yong‐Mei , Mao Pu , Qu Ling‐Bo
Published: October 2019

An efficient and simple protocol for Selectfluor‐mediated phosphonation of quinoxalin‐2(1H)‐ones with dialkyl H‐phosphonates has been developed under base and transition‐metal free conditions, affording the desired 3‐phosphorylated quinoxalin‐2(1H)‐ones in good to excellent yields. This method has the advatages of broad substrate scope, general functional groups compatibility, and mild reaction conditions.
Improved Biocompatibility of Amino‐Functionalized Graphene Oxide in Caenorhabditis elegans
Authors: Rive Corvin , Reina Giacomo , Wagle Prerana , Treossi Emanuele , Palermo Vincenzo , Bianco Alberto , Delogu Lucia Gemma , Rieckher Matthias , Schumacher Björn
Published: October 2019

Graphene oxide (GO) holds high promise for diagnostic and therapeutic applications in nanomedicine but reportedly displays immunotoxicity, underlining the need for developing functionalized GO with improved biocompatibility. This study describes adverse effects of GO and amino‐functionalized GO (GONH2) during Caenorhabditis elegans development and ageing upon acute or chronic exposure. Chronic GO treatment throughout the C. elegans development causes decreased fecundity and a reduction of animal size, while acute treatment does not lead to any measurable physiological decline. However, RNA‐Sequencing data reveal that acute GO exposure induces innate immune gene expression. The p38 MAP kinase, PMK‐1, which is a well‐established master regulator of innate immunity, protects C. elegans from chronic GO toxicity, as pmk‐1 mutants show reduced tissue‐functionality and facultative vivipary. In a direct comparison, GONH2 exposure does not cause detrimental effects in the wild type or in pmk‐1 mutants, and the innate immune response is considerably less pronounced. This work establishes enhanced biocompatibility of amino‐functionalized GO in a whole‐organism, emphasizing its potential as a biomedical nanomaterial.
Laser‐Directed Assembly of Nanorods of 2D Materials
Authors: Ibrahim Khaled , Novodchuk Inna , Mistry Kissan , Singh Michael , Ling Christopher , Sanderson Joseph , Bajcsy Michal , Yavuz Mustafa , Musselman Kevin P.
Published: October 2019

Herein, the previously unrealized ability to grow nanorods and nanotubes of 2D materials using femtosecond laser irradiation is demonstrated. In as short as 20 min, nanorods of tungsten disulfide, molybdenum disulfide, graphene, and boron nitride are grown in solutions. The technique fragments nanoparticles of the 2D materials from bulk flakes and leverages molecular scale alignment by nonresonant intense laser pulses to direct their assembly into nanorods up to several micrometers in length. The laser treatment process is found to induce phase transformations in some of the materials, and also results in the modification of the nanorods with functional groups from the solvent atoms. Notably, the WS2 nanoparticles, which are ablated from semiconducting 2H WS2 crystallographic phase flakes, reassemble into nanorods consisting of the 1T metallic phase. Due to this transition, and the 1D nature of the fabricated nanorods, the WS2 nanorods display substantial improvements in electrical conductivity and optical transparency when employed as transparent conductors.
Bias‐Dependent Stability of Perovskite Solar Cells Studied Using Natural and Concentrated Sunlight
Authors: K. M. Anoop , Khenkin Mark V. , Di Giacomo Francesco , Galagan Yulia , Rahmany Stav , Etgar Lioz , Katz Eugene A. , Visoly-Fisher Iris
Published: October 2019

Degradation rates in perovskite solar cells (PSCs) were previously shown to be bias dependent; however, little is known about the mechanisms and driving factors that account for such degradation. Herein, stability studies under concentrated sunlight are demonstrated as a powerful experimental methodology to investigate bias‐dependent PSC degradation mechanisms. Stress testing of encapsulated PSCs' stability shows that light intensity is more significant than the illumination dose for PSC degradation under short‐circuit (SC) conditions, whereas the dose is the determining factor under open‐circuit (OC) stressing. This indicates that different degradation mechanisms are dominant under different bias conditions. It is postulated that degradation at SC biasing is dominated by ion migration, facilitated by photogenerated defects. Degradation at OC biasing can be explained by photogenerated radicals acting as nonradiative recombination centers (charge traps), which are created via reactions with accumulated charge carriers. Trap formation upon OC biasing is in accordance with degradation of photoluminescence and OC voltage (VOC) observed under this stress. A combination of multiple mechanisms, all with reduced driving forces compared with OC /SC biasing, explains degradation at maximum power point biasing. Understanding the bias effect on PSC stability can elucidate the underlying degradation mechanisms and lead to routes to reduce them.
Postnatal development of cerebrovascular structure and the neurogliovascular unit
Authors: Coelho‐Santos Vanessa , Shih Andy Y.
Published: October 2019

The unceasing metabolic demands of brain function are supported by an intricate three‐dimensional network of arterioles, capillaries, and venules, designed to effectively distribute blood to all neurons and to provide shelter from harmful molecules in the blood. The development and maturation of this microvasculature involves a complex interplay between endothelial cells with nearly all other brain cell types (pericytes, astrocytes, microglia, and neurons), orchestrated throughout embryogenesis and the first few weeks after birth in mice. Both the expansion and regression of vascular networks occur during the postnatal period of cerebrovascular remodeling. Pial vascular networks on the brain surface are dense at birth and are then selectively pruned during the postnatal period, with the most dramatic changes occurring in the pial venular network. This is contrasted to an expansion of subsurface capillary networks through the induction of angiogenesis. Concurrent with changes in vascular structure, the integration and cross talk of neurovascular cells lead to establishment of blood–brain barrier integrity and neurovascular coupling to ensure precise control of macromolecular passage and metabolic supply. While we still possess a limited understanding of the rules that control cerebrovascular development, we can begin to assemble a view of how this complex process evolves, as well as identify gaps in knowledge for the next steps of research.

This article is categorized under:

Nervous System Development > Vertebrates: Regional Development

Vertebrate Organogenesis > Musculoskeletal and Vascular

Nervous System Development > Vertebrates: General Principles
Astigmatismus
Authors: Woltsche N. , Werkl P. , Posch-Pertl L. , Ardjomand N. , Frings A.
Published: October 2019

Der Astigmatismus ist der weltweit häufigste Refraktionsfehler vor Hypermetropie und Myopie. Man unterscheidet den äußeren vom inneren Astigmatismus. Der äußere Astigmatismus kann weiter in „mit der Regel“, „gegen die Regel“ und „schräg“ unterteilt werden. Die Summierung des äußeren und inneren Astigmatismus ergibt den refraktiven Zylinder. Astigmatismus wurde lange als zweidimensionales Phänomen gesehen, doch erst die dreidimensionale Betrachtung hat den Blick auf bestehende Analyseverfahren (Topo- und Tomographie) erweitert. Die Vektoranalyse nach Alpins ist hierbei eine bekannte Methode zur Therapieplanung. Zur Therapie des Astigmatismus stehen konservative Optionen wie Brille oder torische Kontaktlinse sowie unterschiedlichste chirurgische Verfahren wie photorefraktive Keratektomie, Femtosekundenlaser-assistierte Keratotomie, Laser-in-situ-Keratomileusis, „small-incision lenticule extraction“ und die Implantation torischer Intraokularlinsen zur Verfügung.
Engaging Adolescents: Animal Assisted Therapy for Adolescents with Psychiatric and Substance Use Disorders
Authors: Trujillo Kate C. , Kuo Greg T. , Hull Madelyne L. , Ingram Amanda E. , Thurstone Christian C.
Published: October 2019

Objectives

This study compares treatment engagement and outcomes between two groups of adolescents with psychiatric and substance use disorders (SUD): one received treatment with Animal Assisted Therapy (AAT) and another without AAT.

Methods

This is an exploratory study with a quasi-experimental pre-post comparison group design. Participants were 31 adolescents (ages 12–17 years) participating in an urban school-based substance treatment program. Cases (n = 14) received treatment with AAT, whereas comparison (n = 17) received treatment without AAT. The outcome measures included: number of sessions attended, proportion of negative urine drug screens for non-nicotine substances, overall-wellbeing, and the School Engagement Instrument. Student’s T test and a Wilcoxon Rank Sum Test were used to evaluate differences. Outcomes that differed significantly between groups were further evaluated using unadjusted linear regression.

Results

Participants who received treatment with AAT (M = 9.9, SD = 3.2) attended more therapy sessions within a 16-week period (β = 3.5, t(1) = 2.89, p = 0.0072) than those that received treatment without AAT (M = 6.4, SD = 3.5). Additionally, the AAT group (Mdn = 2.9, IQR: 1.8, 5.0) had a greater improvement in overall-wellbeing (β = 3.6, t(1) = 3.74, p = 0.0009) than treatment group without AAT (Mdn = 0.5, IQR: −2.6, 1.4).

Conclusions

AAT could be a way to increase engagement for youth in substance use treatment.
A Spectral Characterization for Concentration of the Cover Time
Authors: Hermon Jonathan
Published: October 2019

We prove that for a sequence of finite vertex-transitive graphs of increasing sizes, the cover times are asymptotically concentrated if and only if the product of the spectral gap and the expected cover time diverges. In fact, we prove this for general reversible Markov chains under the much weaker assumption (than transitivity) that the maximal hitting time of a state is of the same order as the average hitting time.
An Ethics Framework for Big Data in Health and Research
Authors: Xafis Vicki , Schaefer G. Owen , Labude Markus K. , Brassington Iain , Ballantyne Angela , Lim Hannah Yeefen , Lipworth Wendy , Lysaght Tamra , Stewart Cameron , Sun Shirley , Laurie Graeme T. , Tai E Shyong
Published: October 2019

Ethical decision-making frameworks assist in identifying the issues at stake in a particular setting and thinking through, in a methodical manner, the ethical issues that require consideration as well as the values that need to be considered and promoted. Decisions made about the use, sharing, and re-use of big data are complex and laden with values. This paper sets out an Ethics Framework for Big Data in Health and Research developed by a working group convened by the Science, Health and Policy-relevant Ethics in Singapore (SHAPES) Initiative. It presents the aim and rationale for this framework supported by the underlying ethical concerns that relate to all health and research contexts. It also describes a set of substantive and procedural values that can be weighed up in addressing these concerns, and a step-by-step process for identifying, considering, and resolving the ethical issues arising from big data uses in health and research. This Framework is subsequently applied in the papers published in this Special Issue. These papers each address one of six domains where big data is currently employed: openness in big data and data repositories, precision medicine and big data, real-world data to generate evidence about healthcare interventions, AI-assisted decision-making in healthcare, public-private partnerships in healthcare and research, and cross-sectoral big data.
Nichtinvasive Diagnostik bei nichtalkoholischer Fettlebererkrankung (NAFLD)
Authors: Stauber Rudolf
Published: October 2019

Die nichtalkoholische Fettlebererkrankung (NAFLD) ist weltweit sehr häufig, ihre Prävalenz in Europa wurde mit 24 % der Bevölkerung angegeben. Dabei zeigen 10–30 % der Patienten einen progredienten Verlauf, der auch als nichtalkoholische Steatohepatitis (NASH) bezeichnet wird. Das Vorliegen einer höhergradigen Lebervernarbung (Fibrose, F3/Zirrhose, F4) ist ein wichtiger Prognosefaktor mit erhöhter leberbezogener Mortalität und Therapiebedürftigkeit. Die histologische Befundung von Leberbiopsien gilt derzeit als Referenzmethode für die Diagnose einer NASH und die Bestimmung des Fibrosestadiums. Aufgrund der hohen Prävalenz von NAFLD ist eine möglichst genaue nichtinvasive Risikostratifizierung notwendig, um betroffene Patienten für die Leberbiopsie zu identifizieren. Unter den blutbasierten nichtinvasiven Fibrosetests („blood fibrosis tests“) gibt es a) einfache Tests (auf Routineparametern basierend) wie den NAFLD-fibrosis-Score (NFS) und den Fibrosis-4-Index (FIB-4) sowie b) kommerzielle Fibrosetests wie Enhanced-liver-fibrosis(ELF™)-Test (Siemens Healthineers, Wien, Österreich), FibroTest™ (Biopredictive, Paris, Frankreich) und FibroMeter (Echosens, Paris, Frankreich). Bei den ultraschallbasierten Verfahren ist die transiente Elastographie („vibration-controlled transient elastography“, VCTE; FibroScan [VCTE; FibroScan™, Echosens, Paris, Frankreich]) breit verfügbar, während die MR-Elastographie (MRE) selten verwendet wird, aber wahrscheinlich genauere Resultate liefert. In direkten Vergleichsstudien zeigten kommerzielle Blutfibrosetests, VCTE und MRE die höchste diagnostische Genauigkeit bei der nichtinvasiven Einschätzung des Fibrosestadiums bei NAFLD. Unter den einfachen Tests eignet sich FIB‑4 sehr gut zum Ausschluss einer höhergradigen Fibrose und bietet sich damit für ein breites Screening (z. B. bei Patienten mit Diabetes) an.
Negative Predictive Value of Contrast-Enhanced Ultrasound of Liver and Kidney Thermal Ablation Sites for Local Tumour Progression during Long-term Follow-up: A Retrospective Consecutive Study
Authors: Atri Mostafa , Alrashed Abdulmohsen , Hassan Ahmad , Khalili Korosh , Kim Tae Kyoung , Jang Huynh Jung
Published: October 2019

Purpose

To determine negative predictive value (NPV) of contrast-enhanced ultrasound (CEUS) to demonstrate local tumour progression (LTP) at thermal ablation (TA) sites.

Methods

Our institutional review board approved this retrospective study; acquisition of consent was waived. Consecutive CEUS examinations performed between 2004-2014 for TA site evaluation on patients who could not undergo enhanced computed tomography (CT) or magnetic resonance imaging (MRI), or had inconclusive CT or MRI, were retrospectively reviewed. Those reported as no abnormal enhancement in or surrounding TA site were included. CEUS examination was considered true-negative based on stability or lack of enhancement/washout on follow-up imaging for at least 1 year, and false-negative (FN), if there was an arterially enhancing focus with wash-out at or surrounding TA site on subsequent follow-up imaging.

Results

Study population included 56 tumours in 54 patients, 11 women, 43 men; mean age 71 years. Two patients had TA of two different hepatocellular carcinomas. Thirty-six examinations were for hepatic TA and twenty for renal TA. Lesion sizes ranged from 1 cm to 7 cm (mean 3.1 ± 1.2). Mean diameter of 7 recurrences was 13.8 mm. Overall FN rate was 12.5% (7/56). Corresponding numbers were 0% (0/20) for renal TA and 19.4% (7/36) for hepatic TA. Overall NPV of CEUS was 87.5% (49/56) (confidence interval [CI]: 78.8%–96.2%). NPV for renal TA was 100% (20/20) (CI: 100%–100%) and for hepatic TA 81.5% (29/36) (CI: 67.6 %–93.5%).

Conclusion

In this cohort, CEUS showed high NPV for exclusion of LTP at renal TA sites. NPV for hepatic TA sites was high but lower than renal TA.
Investigating the Role of Archaeological Information and Practice in Landscape Conservation Design and Planning in North America
Authors: Murtha Timothy M. , Lawres Nathan R. , Mazurczyk Tara J. , Brown Madeline
Published: October 2019

The purpose of this article is to discuss the challenges and opportunities for integrating archaeological information in landscape-scale conservation design while aligning archaeological practice with design and planning focused on cultural resources. Targeting this opportunity begins with statewide archaeological databases. Here, we compare the structure and content of Pennsylvania's and Florida's statewide archaeological databases, identifying opportunities for leveraging these data in landscape conservation design and planning. The research discussed here was part of a broader project, which was working through the lens of Landscape Conservation Cooperatives in order to develop processes for integrating broadly conceived cultural resources with natural resources as part of multistate or regional landscape conservation design efforts. Landscape Conservation Cooperatives offer new ways to think about archaeological information in practice and potentially new ways for archaeology to contribute to design and planning. Statewide archaeological databases, in particular, offer transformative potential for integrating cultural resource priorities in landscape conservation design. Targeted coordination across state boundaries along with the development of accessible derivative databases are two priorities to advance their utility.
Catholic refuge and the printing press: Catholic exiles from England, France and the Low Countries in the ecclesiastical province of Cambrai
Authors: Soetaert Alexander
Published: October 2019

The Ecclesiastical Province of Cambrai may sound unfamiliar to modern readers. The bishopric of Cambrai dates to the sixth century but only became an archdiocese and, consequently, the centre of a church province in the sixteenth century. The elevation of the see resulted from the heavily contested reorganization of the diocesan map of the Low Countries by King Philip II in 1559. The new province included the medieval sees of Arras, Cambrai and Tournai, as well as the newly created bishoprics of Saint-Omer and Namur. Its borders were established to encompass the French-speaking Walloon provinces in the south of the Low Countries, territories that are now divided between France and Belgium.1 In the early modern period, this area was already a border and transit zone between France, the Low Countries, the Holy Roman Empire and the British Isles. The province’s history in the sixteenth and seventeenth centuries was deeply marked by recurrent and devastating warfare between the kings of Spain and France, eventually resulting in the transfer of significant territory to France.2 However, the Province of Cambrai was also the scene of frequent cross-border mobility, and a safe haven for Catholic exiles originating from the British Isles, France and other parts of the Low Countries.
Irish soldiers in Loreto and Rome: a pilgrimage, and an employment request c.1609
Authors: Cuarta Brian Mac
Published: October 2019

Scholarly attention to the Irish Catholic experience on the Continent in the early Stuart era is increasing.1 Interest in Irish pilgrimage to continental sanctuaries in the early modern period is one facet of that broader historiographical trend. However the surviving evidence tends to favour the travels of those of higher social standing, and it is their experience which has received attention.2 The present text, by contrast, arose from the journey to Rome of two brothers, soldiers who had been serving in the Irish regiment in Flanders. Having visited the Marian shrine of Loreto (north-east of Rome) on the way, while in Rome they made a petition to be employed in the papal military service. Their request is at several levels. Irish participation in Spanish military forces both in Flanders and Spain in the early seventeenth century has been of interest to scholars in recent decades; Irish involvement with the papal military forces in the same period is less well noted.3 Early modern soldiers regularly faced unemployment arising from a cessation of hostilities; in the case of two soldiers in the Spanish Netherlands, this document throws light on the need to find a new employer, and on strategies adopted to that end. Further, in presenting themselves to the Pope as a prospective employer, the petition illustrates how Irish soldier exiles fashioned an assertive Catholic identity for themselves, in which the family’s experience of religious persecution in their homeland was linked with subsequent military service against heretics on the Continent. Hence the significance of the text presented here. The brothers’ army career was outlined, with referees indicated, and some possible openings in the papal forces were suggested. These professional elements were integrated into a family narrative of persecution for the Catholic faith, and personal religious devotion, with a view to making an informed request for employment in papal service.
Shoaling mode-2 internal solitary-like waves
Authors: Carr Magda , Stastna Marek , Davies Peter A. , van de Wal Koen J.
Published: October 2019

The propagation of a train of mode-2 internal solitary-like waves (ISWs) over a uniformly sloping, solid topographic boundary, has been studied by means of a combined laboratory and numerical investigation. The waves are generated by a lock-release method. Features of their shoaling include (i) formation of an oscillatory tail, (ii) degeneration of the wave form, (iii) wave run up, (iv) boundary layer separation, (v) vortex formation and re-suspension at the bed and (vi) a reflected wave signal. Slope steepness, $s$, is defined to be the height of the slope divided by the slope base length. In shallow slope cases ($s\leqslant 0.07$), the wave form is destroyed by the shoaling process; the leading mode-2 ISW degenerates into a train of mode-1 waves of elevation and little boundary layer activity is seen. For steeper slopes ($s\geqslant 0.13$), boundary layer separation, vortex formation and re-suspension at the bed are observed. The boundary layer dynamics is shown (numerically) to be dependent on the Reynolds number of the flow. A reflected mode-2 wave signal and wave run up are seen for slopes of steepness $s\geqslant 0.20$. The wave run up distance is shown to be proportional to the length scale $ac^{2}/g^{\prime }h_{2}\sin \unicode[STIX]{x1D703}$ where $a,c,g^{\prime },h_{2}$ and $\unicode[STIX]{x1D703}$ are wave amplitude, wave speed, reduced gravity, pycnocline thickness and slope angle respectively.
Cytokine concentrations are related to level of mental distress in inpatients not using anti-inflammatory drugs
Authors: Toft Helge , Lien Lars , Neupane Sudan P. , Abebe Dawit S. , Tilden Terje , Wampold Bruce E. , Bramness Jørgen G.
Published: October 2019

Objective:

Cross-sectional data show elevated levels of circulating cytokines in psychiatric patients. The literature is divided concerning anti-inflammatory drugs’ ability to relieve symptoms, questioning a causal link between inflammatory pathways and psychiatric conditions. We hypothesised that the development of circulating cytokine levels is related to mental distress, and that this relationship is affected by the use of anti-inflammatory drugs.

Methods:

The study was a longitudinal assessment of 12-week inpatient treatment at Modum Bad Psychiatric Center, Norway. Sera and self-reported Global Severity Index (GSI) scores, which measure psychological distress, were collected at admission (T0), halfway (T1) and before discharge (T2). Other variables known to distort the neuroimmune interplay were included. These were age, gender, diagnosis of PTSD, antidepressants and anti-inflammatory drugs. A total of 128 patients (92 women and 36 men) were included, and 28 were using anti-inflammatory medication. Multilevel modelling was used for data analysis.

Results:

Patients with higher levels of IL-1RA and MCP-1 had higher GSI scores (p= 0.005 andp= 0.020). PTSD patients scored higher on GSI than non-PTSD patients (p= 0.002). These relationships were mostly present among those not using anti-inflammatory drugs (n= 99), with higher levels of IL-1RA and MCP-1 being related to higher GSI score (p= 0.023 and 0.018, respectively). Again, PTSD patients showed higher GSI levels than non-PTSD patients (p= 0.014).

Conclusions:

Cytokine levels were associated with level of mental distress as measured by the GSI scores, but this relationship was not present among those using anti-inflammatory drugs. We found no association between cytokine levels and development of GSI score over time.
POLYNOMIAL COHOMOLOGY AND POLYNOMIAL MAPS ON NILPOTENT GROUPS
Authors: KYED DAVID , DENSING PETERSEN HENRIK
Published: October 2019

We introduce a refined version of group cohomology and relate it to the space of polynomials on the group in question. We show that the polynomial cohomology with trivial coefficients admits a description in terms of ordinary cohomology with polynomial coefficients, and that the degree one polynomial cohomology with trivial coefficients admits a description directly in terms of polynomials. Lastly, we give a complete description of the polynomials on a connected, simply connected nilpotent Lie group by showing that these are exactly the maps that pull back to classical polynomials via the exponential map.
International Investment Law and Foreign Direct Reinvestment
Authors: Wellhausen Rachel L.
Published: October 2019

One goal of the law is to provide a means to return disputing parties to cooperation. The prevailing expectation is that international investment law largely does not do this; rather, an aggrieved foreign investor sues the host state as a last resort and divests. I use a new database of Investor-State Dispute Settlement (ISDS) arbitrations and firm-level bilateral investment to show that, in fact, claimant investors reinvest in the host state at least 31 percent of the time (between 1990 and 2015). Among investors who file for arbitration, and controlling for sector, important correlates of reinvestment include the claimant's legal strategy; the extent of the claimant's grievance and success; and the incidence of post-arbitration litigation. Despite unique aspects of its institutional design, the de facto international investment regime can help solve host state time-inconsistency problems consistent with standard expectations of law. Whether the probability of reinvestment is high enough to reinforce host state commitments to this controversial regime is an open question.
Amylolytic activity and chemical composition of rehydrated ground maize ensiled with α-amylase or glucoamylase
Authors: Gandra J. R. , Oliveira E. R. , Takiya C. S. , Del Valle T. A. , Rennó F. P. , Goes R. H. T. B. , Leite R. S. R. , Garcia N. F. L. , Batista J. D. O. , Acosta A. P. , Damiani J. , Gandra E. R. S. , Escobar A. Z.
Published: October 2019

A completely randomized experiment was designed to evaluate the effects of α-amylase (AMY) and glucoamylase (GLU) on total losses, fermentative profile, chemical composition and amylolytic activity of rehydrated maize. Eighty-four experimental silos of rehydrated maize [0.33 litres/kg ground maize, 4-mm theoretical particle size, and 625 g/kg dry matter (DM)] were assigned to the following treatments: (1) control (CON), no enzyme addition; (2) GLU added at 300 µl/kg of ground maize (as-fed); and (3) AMY added at 300 µl/kg of ground maize. Seven silos from each treatment were opened after 7, 14, 21 and 28 days. Differences among treatments were evaluated through orthogonal contrasts (CON v. enzymes, and AMY v. GLU). Time effects were decomposed using polynomial regression. Glucoamylase silage exhibited greater total losses than AMY. Enzymes increased acetate and lactic acid concentrations and decreased ethanol concentration. Regardless of treatment, gas, effluent and total fermentative losses linearly increased, whereas DM recovery linearly decreased with higher storage length. Glucoamylase silage had lower ammonia nitrogen and higher lactic acid concentrations than AMY. Enzyme treatments decreased silage neutral detergent fibre content and increased in vitro DM degradation. Glucoamylase silage exhibited a more moderate starch content and greater in vitro DM degradation than AMY. Storage time linearly decreased DM, starch and fibre content of rehydrated maize. In vitro degradation of DM linearly increased as the storage length increased. This study showed evidence that enzymes with amylolytic activity, particularly GLU, improve the fermentative profile and DM degradation of rehydrated maize silage.
Genetic stratification of depression by neuroticism: revisiting a diagnostic tradition
Authors: Adams Mark J. , Howard David M. , Luciano Michelle , Clarke Toni-Kim , Davies Gail , Hill W. David ,   23andMe Research Team,   Major Depressive Disorder Working Group of the Psychiatric Genomics Consortium, Smith Daniel , Deary Ian J. , Porteous David J. , McIntosh Andrew M.
Published: October 2019

Background

Major depressive disorder and neuroticism (Neu) share a large genetic basis. We sought to determine whether this shared basis could be decomposed to identify genetic factors that are specific to depression.

Methods

We analysed summary statistics from genome-wide association studies (GWAS) of depression (from the Psychiatric Genomics Consortium, 23andMe and UK Biobank) and compared them with GWAS of Neu (from UK Biobank). First, we used a pairwise GWAS analysis to classify variants as associated with only depression, with only Neu or with both. Second, we estimated partial genetic correlations to test whether the depression's genetic link with other phenotypes was explained by shared overlap with Neu.

Results

We found evidence that most genomic regions (25/37) associated with depression are likely to be shared with Neu. The overlapping common genetic variance of depression and Neu was genetically correlated primarily with psychiatric disorders. We found that the genetic contributions to depression, that were not shared with Neu, were positively correlated with metabolic phenotypes and cardiovascular disease, and negatively correlated with the personality trait conscientiousness. After removing shared genetic overlap with Neu, depression still had a specific association with schizophrenia, bipolar disorder, coronary artery disease and age of first birth. Independent of depression, Neu had specific genetic correlates in ulcerative colitis, pubertal growth, anorexia and education.

Conclusion

Our findings demonstrate that, while genetic risk factors for depression are largely shared with Neu, there are also non-Neu-related features of depression that may be useful for further patient or phenotypic stratification.
Preschool children's categorization of speakers by regional accent
Authors: Jeffries Ella
Published: October 2019

This study reports on an experiment with twenty preschool children (3;1–4;7) in York, UK to investigate the earliest stage of children's socioperceptual development. The children discriminate between different groups of speakers based on their pronunciation of phonological regional variables diagnostic of the North and South of England. An improvement across the age range uncovers a developmental stage when children are able to interpret variation as socially meaningful. This is comparable with developments in sociolinguistic production during the preschool years, as previous studies have found. Three measures associated with linguistic input (children's age and gender, local versus nonlocal parents) have an impact on the children's performance. The results are interpreted through an exemplar theoretic account, highlighting the role of input and the combined storing and accessing of both linguistic and social information.