bluuebunny/crossref_metadata_2025 huggingface dataset:
Probing the cold magnetised Universe with SPICA-POL (B-BOP)
Authors: André Ph. , Hughes A. , Guillet V. , Boulanger F. , Bracco A. , Ntormousi E. , Arzoumanian D. , Maury A.J. , Bernard J.-Ph. , Bontemps S. , Ristorcelli I. , Girart J.M. , Motte F. , Tassis K. , Pantin E. , Montmerle T. , Johnstone D. , Gabici S. , Efstathiou A. , Basu S. , Béthermin M. , Beuther H. , Braine J. , Francesco J. Di , Falgarone E. , Ferrière K. , Fletcher A. , Galametz M. , Giard M. , Hennebelle P. , Jones A. , Kepley A. A. , Kwon J. , Lagache G. , Lesaffre P. , Levrier F. , Li D. , Li Z.-Y. , Mao S. A. , Nakagawa T. , Onaka T. , Paladino R. , Peretto N. , Poglitsch A. , Revéret V. , Rodriguez L. , Sauvage M. , Soler J. D. , Spinoglio L. , Tabatabaei F. , Tritsis A. , van der Tak F. , Ward-Thompson D. , Wiesemeyer H. , Ysard N. , Zhang H.
Published: August 2019

Space Infrared Telescope for Cosmology and Astrophysics (SPICA), the cryogenic infrared space telescope recently pre-selected for a ‘Phase A’ concept study as one of the three remaining candidates for European Space Agency (ESA's) fifth medium class (M5) mission, is foreseen to include a far-infrared polarimetric imager [SPICA-POL, now called B-fields with BOlometers and Polarizers (B-BOP)], which would offer a unique opportunity to resolve major issues in our understanding of the nearby, cold magnetised Universe. This paper presents an overview of the main science drivers for B-BOP, including high dynamic range polarimetric imaging of the cold interstellar medium (ISM) in both our Milky Way and nearby galaxies. Thanks to a cooled telescope, B-BOP will deliver wide-field 100–350$\mu$m images of linearly polarised dust emission in Stokes Q and U with a resolution, signal-to-noise ratio, and both intensity and spatial dynamic ranges comparable to those achieved byHerschelimages of the cold ISM in total intensity (Stokes I). The B-BOP 200$\mu$m images will also have a factor$\sim $30 higher resolution thanPlanckpolarisation data. This will make B-BOP a unique tool for characterising the statistical properties of the magnetised ISM and probing the role of magnetic fields in the formation and evolution of the interstellar web of dusty molecular filaments giving birth to most stars in our Galaxy. B-BOP will also be a powerful instrument for studying the magnetism of nearby galaxies and testing Galactic dynamo models, constraining the physics of dust grain alignment, informing the problem of the interaction of cosmic rays with molecular clouds, tracing magnetic fields in the inner layers of protoplanetary disks, and monitoring accretion bursts in embedded protostars.
Geochemical characteristics and reasons for the carbon isotopic reversal of natural gas in the southern Jingbian gas field, Ordos Basin, China
Authors: Han Wenxue , Chang Xiangchun , Ma Weijiao , Tao Shizhen , Yao Jingli , Hou Lianhua , Yang Weiwei
Published: August 2019

The carbon isotope value of ethane in the southern part of the Jingbian gas field is lower than that in the northern part, indicating a carbon isotopic reversal in the southern Jingbian gas field (δ13Cmethane > δ13Cethane). Through comparing the geochemical characteristics of gases in the southern and northern parts of the gas field, the reasons for the carbon isotopic reversal in the southern Jingbian gas field were determined to be high thermal maturity and mixing action. When thermal maturity reaches a critical value, the carbon isotope value of ethane becomes relatively more depleted with thermal maturity. Although the carbon isotope value of methane increases with thermal maturity, the extent is relatively smaller. Finally, the rare phenomenon of δ13Cmethane > δ13Cethane occurs. High thermal maturity leads to the secondary thermal cracking of gases. Mixing of the cracked gases and primary gases also leads to carbon isotopic reversal. Both of the above mechanisms share a common premise, which is high thermal maturity.
Two week wait referral criteria – heading in the right direction?
Authors: Gao C , Qin C , Freeman S , Oskooee N , Hughes J
Published: August 2019

Objectives

The National Institute for Health and Care Excellence referral guidelines prompting urgent two-week referrals were updated in 2015. Additional symptoms with a lower threshold of 3 per cent positive predictive values were integrated. This study aimed to examine whether current pan-London urgent referral guidelines for suspected head and neck cancer lead to efficient and accurate referrals by assessing frequency of presenting symptoms and risk factors, and examining their correlation with positive cancer diagnoses.

Methods

The risk factors and symptoms of 984 consecutive patients (over a six-month period in 2016) were collected retrospectively from urgent referral letters to University College London Hospital for suspected head and neck cancer.

Results

Only 37 referrals (3.76 per cent) resulted in a head and neck cancer diagnosis. Four of the 23 recommended symptoms demonstrated statistically significant results. Nine of the 23 symptoms had a positive predictive value of over 3 per cent.

Conclusion

The findings indicate that the current referral guidelines are not effective at detecting patients with cancer. Detection rates have decreased from 10–15 per cent to 3.76 per cent. A review of the current head and neck cancer referral guidelines is recommended, along with further data collection for comparison.
An Eye for an Eye: the Hapticality of Collaborative Photo-Performance in Native Women of South India
Authors: SHARANYA
Published: August 2019

This article examines the haptic politics of the Native Women of South India: Manners and Customs (2000–2004) ‘theatre museum’ composed by Indian performance artist Pushpamala N. and British photographer Clare Arni. Through a transnational collaboration, Native Women re-creates a visual genealogy of ‘popular’ Indian women images, reckoning with legacies of colonial and photographic studio photography. The article focuses on the engagements of Native Women with colonial representations of ‘the native’ (woman) in particular and asks: How does a transnational project resituating colonial ethnographic practices inform feminist performance methodologies? How does this photo-performance develop a haptic attempt at transnational solidarity? In what ways do haptic entanglements with photo-performance constitute new imaginations for collaborative practices? The article repositions Native Women as a performance work that reflects collaboration as a process of political intimacy.
Total Heroism: Reinterpreting Sartre's Morts sans sépulture (The Victors) for the Chinese Stage
Authors: QI SHOUHUA , ZHANG WEI
Published: August 2019

Zha Mingzhe's 1997 production of Sartre's Morts sans sépulture takes bold creative license in the form of retooled dialogues; hard-edged stage design; moody, ironic music; and the brutal acoustic ‘facsimile’ of torture to reimagine the play for Chinese audiences. Zha's production is neither an exuberant celebration of ‘heroism’ as the term is conventionally understood, nor a parable-like play given to ‘philosophizing’ the core tenets of Sartre's existentialism. Rather, it is a full-scale, in-your-face presentation of ‘total heroism’: heroism that is flawed, falling far short of the kind of heroism idealized in the annals or mythologies of the so-called ‘red classics’, but it is heroism nonetheless. It is an interrogation, in the fullest sense of the term, of the ‘essence’ of being tested in the crucible of ferocious tortures, and a ‘cruel’ antidote much needed to shock the numbed nerves of the body politic.
OUT OF THE FRYING PAN INTO THE FIRE: THE COMMUNITY STRUCTURE OF EPIPHYTES IN BRAZILIAN SAVANNA AFTER THE PASSAGE OF FIRE
Authors: Menini Neto L. , Maradini A. C. , Moura F. R. , Lima P. , Furtado S. G.
Published: August 2019

Cerrado sensu stricto (a physiognomy of the Cerrado domain, the Brazilian savanna) is subject to the annual occurrence of fire. Data on the epiphytic community in this physiognomy is scarce, as is evaluation of the influence of fire on its structure and composition. The aim of this study was to describe the structure of the vascular epiphyte community and its relationships with phorophytes in the Cerrado domain, Southeast Region of Brazil, after the passage of fire. We found the greatest abundance of epiphytes in the upper strata (65% of the individuals occurring above 3 m in height) and the dominance of three generalist species (Tillandsia streptocarpa, T. recurvata and Epiphyllum phyllanthus), suggesting that fire has an influence on the structure and composition of the epiphytic community.
Microstructural Characterization of GaN Grown on SiC
Authors: Saha Sabyasachi , Kumar Deepak , Sharma Chandan K. , Singh Vikash K. , Channagiri Samartha , Sridhara Rao Duggi V.
Published: August 2019

GaN films have been grown on SiC substrates with an AlN nucleation layer by using a metal organic chemical vapor deposition technique. Micro-cracking of the GaN films has been observed in some of the grown samples. In order to investigate the micro-cracking and microstructure, the samples have been studied using various characterization techniques such as optical microscopy, atomic force microscopy, Raman spectroscopy, scanning electron microscopy and transmission electron microscopy (TEM). The surface morphology of the AlN nucleation layer is related to the stress evolution in subsequent overgrown GaN epilayers. It is determined via TEM evidence that, if the AlN nucleation layer has a rough surface morphology, this leads to tensile stresses in the GaN films, which finally results in cracking. Raman spectroscopy results also suggest this, by showing the existence of considerable tensile residual stress in the AlN nucleation layer. Based on these various observations and results, conclusions or propositions relating to the microstructure are presented.
Sovereign Uncertainty and the Dangers to Liberalism at the Baltic Frontier
Authors: Klumbytė Neringa
Published: August 2019

A war frontier in Lithuania was engendered by the annexation of Crimea by the Russian Federation in March of 2014 and the beginning of the undeclared war in eastern Ukraine. This essay explores how the new war frontier emerged in Lithuania, becoming an integral part of the public sphere and civic life. I argue that the war frontier is a social institution of sovereign uncertainty, which engenders divisive politics of historical justice, protection of the majority’s rights, and dangers to liberalism. The geopolitical insecurity and sovereign uncertainty that define this Baltic frontier are essential to understand how Lithuania can be a strong ally of NATO and the EU, a proponent of democratic politics and liberalism, a claimant to regional security expertise to lead western countries, and at the same time undermine liberal ideals of tolerance, multiculturalism, and pluralism.
Afterword to “The New War Frontiers and the End of Postsocialism”
Authors: Ries Nancy
Published: August 2019

Frontiers are locations of geopolitical assertion, reification, definition, and experiment, whether physical or symbolic, spatial or temporal. The papers for this special Slavic Review Forum examine important linked and parallel frontier-forming practices. These practices span the postsocialist space yet also, as several authors argue, negate that chronotopic and sociopolitical identifier. Frontier-reformulation practices include ideological constructions of emergent, yet familiar, enemies, new and refurbished commemorative rites and installations, mediated threat prediction, and discourses about undeclared wars that seem to promise to eventuate into future declared or at least named wars. As Neringa Klumbytė tells us in her introduction to this Forum, these practices both point to and produce “eventfulness.”
The HEXACO Model in Education and Work
Authors: McAbee Samuel T. , Casillas Alex , Way Jason D. , Guo Feng
Published: August 2019

Abstract. Researchers have long been interested in examining relationships between personality traits and performance in applied settings. Although the Big Five remains the most prevalent model of personality, studies adopting an alternative personality model known as the HEXACO model have been increasing in the past decade (e.g., Ashton et al., 2004 ; Lee & Ashton, 2004 ). The aims of the present paper are three-fold: First, we systematically review the literature on the HEXACO model and its applications in educational and work settings. Second, we introduce an emerging applied personality framework for use in educational research and practice, the ACT Behavioral Skills Framework ( Casillas, Way, & Burrus, 2015 ), which is based on the HEXACO model. Third, we offer a number of suggestions for how future research can continue to refine the development and application of the HEXACO model in educational and organizational research and practice.
Gamified Personality Assessment
Authors: Barends Ard J. , de Vries Reinout E. , van Vugt Mark
Published: August 2019

Abstract. Unobtrusive behavioral cues of personality traits can be found in physical and virtual environments (e.g., office environments and social media profiles), but detecting and coding such cues are a painstaking effort, and therefore impractical for research purposes. Measuring people’s choices in a virtual, gamified environment may offer a suitable substitute. It is currently unknown whether Honesty-Humility can also be assessed in a virtual environment. In two studies, we demonstrate that Honesty-Humility can be inferred with at least modest validity from virtual behavior cues. In a third study, we tested the fakeability of the virtual cues. This study found that even under faking instructions the virtual cues were related to Honesty-Humility, however, the virtual cues were just as fakeable as self-reported Honesty-Humility. Our results imply that virtual cues can be incorporated in serious games to measure personality. Future research may investigate whether the identified virtual cues are able to predict important Honesty-Humility related outcomes.
Investigating Relative and Absolute Methods of Measuring HEXACO Personality Using Self- and Observer Reports
Authors: Dunlop Patrick D. , Holtrop Djurre , Schmidt Joseph A. , Butcher Shannon B.
Published: August 2019

Abstract. Based on the principles of social comparison theory, the relative percentile (RP) method is an alternative approach to the measurement of psychological characteristics. It involves asking raters to explicitly estimate the percentage of a comparison group that they believe is lower than the target on a characteristic. This study explored the RP method for the measurement of personality. Specifically, we investigated the convergence of the RP with traditional (i.e., Likert-type) personality measures and the convergence between self- and observer reports. Both members of 142 Australian well-acquainted dyads rated themselves and their counterpart using the traditional Likert-type HEXACO-100 and a 25-item RP assessment of the HEXACO facets. Two weeks later, 78 participants completed the RP assessment again, allowing the assessment of test-retest reliability. The RP ratings showed mostly moderate reliability, though generally lower reliability than their corresponding traditional scales, and a relatively clear HEXACO factor structure. Furthermore, the RP ratings correlated significantly with the Likert-type ratings from the same rater (e.g., self–self) and with RP ratings from a different rater (i.e., self–observer), although convergence did vary by HEXACO domain. One potential issue with RP ratings, however, is that they mostly yielded Gaussian distributions, instead of the theoretically expected uniform distribution, which may suggest that it is challenging for respondents to estimate percentiles.
The Relationship of Cloud Number and Size With Their Large‐Scale Environment in Deep Tropical Convection
Authors: Louf Valentin , Jakob Christian , Protat Alain , Bergemann Martin , Narsey Sugata
Published: August 2019

Accurately representing the properties and impact of tropical convection in climate models requires an understanding of the relationships between the state of a convective cloud ensemble and the environment it is embedded in. We investigate this relationship using 13 years of radar observations in the tropics. Specifically, we focus on convective cell number and size and quantify their relationship to atmospheric stability, midtropospheric vertical motion and humidity. We find several key convective states embedded in their own unique environments. The most area‐averaged rainfall occurs with a moderate number of moderate size convective cell in an environment of high humidity, strong vertical ascent, and moderate convective available potential energy (CAPE) and convective inhibition (CIN). The strongest rainfall intensities are found with few large cells. Those exist in a dry and subsiding environment with both high CAPE and CIN. Large numbers of convective cells are associated with small CAPE and CIN, weak ascent, and a moist midtroposphere.
Explaining Differences Between Recent Model and Satellite Tropospheric Warming Rates With Tropical SSTs
Authors: Tuel A.
Published: August 2019

Global climate models generally overestimate recent tropospheric warming trends. While a number of explanations have been suggested, their relative impacts have not been quantified. In particular, interannual and long‐term variability of tropospheric temperatures (TTT) is known to be strongly constrained by near‐surface conditions in ocean regions of deep convection. Here, we analyze the role played by tropical sea surface temperature (SST) variability in recent decades in setting TTT. We find that Coupled Model Intercomparison Project Phase 5 models and observations agree on the interannual relationship between SSTs in regions of deep, tropical convection and TTT. Over the 1979–2018 period, most of the difference between model and satellite‐based TTT trends can be explained by respective differences in SST warming trends in regions of deep convection. While large multidecadal patterns of SST variability certainly play a role, notably in the Pacific Ocean, other mechanisms may also contribute to the overestimation of recent SST warming in climate models.
Simultaneous Rocket and Scintillation Observations of Plasma Irregularities Associated With a Reversed Flow Event in the Cusp Ionosphere
Authors: Jin Yaqi , Moen Jøran I. , Spicher Andres , Oksavik Kjellmar , Miloch Wojciech J. , Clausen Lasse B. N. , Pożoga Mariusz , Saito Yoshifumi
Published: August 2019

We present an overview of the ionospheric conditions during the launch of the Investigation of Cusp Irregularities 3 (ICI‐3) sounding rocket. ICI‐3 was launched from Ny‐Ålesund, Svalbard, at 7:21.31 UT on 3 December 2011. The objective of ICI‐3 was to intersect the reversed flow event (RFE), which is thought to be an important source for the rapid development of ionospheric irregularities in the cusp ionosphere. The interplanetary magnetic field was characterized by strongly negative Bz and weakly negative By. The EISCAT Svalbard radar (ESR) 32‐m beam was operating in a fast azimuth sweep mode between 180° (south) and 300° (northwest) at an elevation angle of 30°. The ESR observed a series of RFEs as westward flow channels that were opposed to the large‐scale eastward plasma flow in the prenoon sector. ICI‐3 intersected the first RFE in the ESR field of view and observed flow structures that were consistent with the ESR observations. Furthermore, ICI‐3 revealed finer‐scale flow structures inside the RFE. The high‐resolution electron density data show intense fluctuations at all scales throughout the RFE. The ionospheric pierce point of the GPS satellite PRN30, which was tracked at Hornsund, intersected the RFE at the same time. The GPS scintillation data show moderate phase scintillations and weak amplitude scintillations. A comparison of the power spectra reveals a good match between the ground‐based GPS carrier phase measurements and the spectral slope of the in situ electron density data in the lower frequency range. It demonstrates the possibility of modelling GPS scintillations from high‐resolution in situ electron density data.
Phytoplankton Diversity in the Mediterranean Sea From Satellite Data Using Self‐Organizing Maps
Authors: El Hourany Roy , Abboud‐Abi Saab Marie , Faour Ghaleb , Mejia Carlos , Crépon Michel , Thiria Sylvie
Published: August 2019

We present a new method to identify phytoplankton functional types (PFTs) in the Mediterranean Sea from ocean color data (GlobColour data in the present study) and AVHRR sea surface temperature. The principle of the method is constituted by two very fine clustering algorithms, one mapping the relationship between the satellite data and the pigments and the other between the pigments and the PFTs. The clustering algorithms are constituted of two efficient self‐organizing maps, which are neural network classifiers. We were able to identify and estimate the percentage of six PFTs: haptophytes, chlorophytes, cryptophytes,Synechococcus,Prochlorococcus, and diatoms. We found that these PFTs present a peculiar variability due to the complex physical and biogeochemical characteristics of the Mediterranean Sea: Haptophytes and chlorophytes dominate during winter and mainly in the western Mediterranean basin, whileSynechococcusandProchlorococcusdominate during summer. The dominance of diatoms was mainly observed in spring in the Balearic Sea in response to deep water convection phenomena and near the coastline and estuaries due to important continental inputs. Cryptophytes present a weak concentration in the Aegean Sea in autumn. The validation tests performed on in situ matchups showed satisfying results and proved the ability of the method to reconstruct efficiently the spatiotemporal patterns of phytoplankton groups in the Mediterranean Sea. The method can easily be applied to other oceanic regions.
The Impact of Variable Land‐Atmosphere Coupling on Convective Cloud Populations Observed During the 2016 HI‐SCALE Field Campaign
Authors: Fast Jerome D. , Berg Larry K. , Feng Zhe , Mei Fan , Newsom Rob , Sakaguchi Koichi , Xiao Heng
Published: August 2019

We use a large‐eddy simulation model with a nested domain configuration (297 and 120 km wide) and an interactive land surface parameterization to simulate the complex population of shallow clouds observed on 30 August 2016 during the Holistic Interactions of Shallow Clouds, Aerosols, and Land‐Ecosystems campaign conducted in north‐central Oklahoma. Shallow convective clouds first formed over southeast Oklahoma and then spread toward the northwest into southern Kansas. By the early afternoon, the relatively uniform shallow cloud field became more complex in which some regions became nearly cloud free and in other regions larger shallow clouds developed with some transitioning to deeper, precipitating convection. We show that the model reproduces the observed heterogeneity in the cloud populations only when realistic variations in soil moisture are used to initialize the model. While more variable soil moisture and to a lesser extent cool lake temperatures drive the initial spatial heterogeneity in the cloud populations, precipitation‐driven cold pools become an important factor after 1300 CST. When smoother soil moisture variations are used in the model, more uniform shallow cloud populations are predicted with far fewer clouds that transition to deeper, precipitating convection that produce cold pools. An algorithm that tracks thousands of individual cumulus show that the more realistic soil moisture distributions produces clouds that are larger and have a longer lifetime. The results suggest that shallow and deep convection parameterizations used by mesoscale models need to account for the effects of variable land‐atmosphere interactions and cold pools.
Designing Eco‐Friendly Water Intake Portfolios in a Tropical Andean Stream Network
Authors: González‐Zeas D. , Rosero‐López D. , Walter T. , Flecker A. , Lloret P. , De Bièvre B. , Condom T. , Osorio R. , Dangles O.
Published: August 2019

In view of the rapid proliferation of water infrastructures worldwide, balancing human and ecosystem needs for water resources is a critical environmental challenge of global significance. While there is abundant literature on the environmental impacts of individual water infrastructures, little attention has been paid to their cumulative effects in river networks, which may have basin‐to‐global impacts on freshwater ecology. Here we developed a methodological framework based on Pareto frontier analysis for optimizing trade‐offs between water withdrawal and ecological indicators. We applied this framework to a mountainous Ecuadorian headwater river network that is part of a continental water transfer for supply and demand management to optimize ecological conditions and the operation of 11 water intake structures used to provide potable water to the city of Quito. We found that the current water intake configuration has an important effect on the total length of fifth‐order stream sections (65% reduction compared to premanaged condition) and isolates 70.9% of the headwater stream length. The Pareto frontier analysis identified water intake portfolios (i.e., different combinations of intake sites) that decreased ecological impacts by 7.8% points (pp) and 13.0 pp for connectivity and stream order change, respectively, while meeting Quito's water demands. Additional portfolios accounting for monthly variability in water demand and resources further decrease the ecological impact up to 9.6 pp in connectivity and 13.4 pp in stream order. These eco‐friendly portfolios suggest that adaptive management at basin level may help optimize water withdrawal to fulfill urban demands while preserving ecological integrity.
A homogenous mixed coating enabled significant stability and capacity enhancement of iron oxide anodes for aqueous nickel–iron batteries
Authors: Lv Si , Zhao Dengfeng , Li Yuanyuan , Liu Jinping
Published: August 2019

A homogenous MoO2 and carbon mixed coating on an Fe3O4 anode with a core–shell structure boosts the cycling stability and capacity of an iron oxide anode.
Excited-state effects on magnetic properties of U(iii) and U(iv) pyrazolylborate complexes
Authors: Higgins Robert F. , Tatebe Caleb J. , Bart Suzanne C. , Shores Matthew P.
Published: August 2019

For a family of uranium pyrazolylborate complexes, we observe correlations between excited-state mixing and slow relaxation of magnetization for U(iii) complexes, and U⋯B distances in U(iv) complexes.
Hierarchical multi-shell 66-nuclei silver nanoclusters trapping subvalent Ag6kernels
Authors: Wang Zhi , Yang Feng-Lei , Yang Yang , Liu Qing-Yun , Sun Di
Published: August 2019

Three novel hierarchical multi-shell 66-nuclei silver nanoclusters trapping ultrasmall Ag64+units were realized by the combination of mild reductive DMF and multiple anions.
Evaluation of linker length effects on a BET bromodomain probe
Authors: Traquete Rui , Henderson Elizabeth , Picaud Sarah , Cal Pedro M. S. D. , Sieglitz Florian , Rodrigues Tiago , Oliveira Rudi , Filippakopoulos Panagis , Bernardes Gonçalo J. L.
Published: August 2019

A systematic study of the biological effects of introducing linkers of different chemical nature and length into BET bromodomain benzodiazepine ligands.
New fluorine-18 pretargeting PET imaging by bioorthogonal chlorosydnone–cycloalkyne click reaction
Authors: Richard Mylène , Truillet Charles , Tran Vu Long , Liu Hui , Porte Karine , Audisio Davide , Roche Mélanie , Jego Benoit , Cholet Sophie , Fenaille François , Kuhnast Bertrand , Taran Frédéric , Specklin Simon
Published: August 2019

A PET pretargeting approach using strain-promoted sydnone–alkyne cycloaddition.
Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium
Authors: Zhou Ai-Mei , Wei Han , Gao Wei , Liu Jie-Ping , Zhang Xiu-Mei
Published: August 2019

Zn(ii)/Cd(ii)-based 2D coordination polymers have been synthesized as luminescence sensors for the selective and reversible sensing of Fe3+, CrO42−, Cr2O72− and TNP in water.
Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands
Authors: Weekes Rohan J. , Hawes Chris S.
Published: August 2019

The synthesis of two π-extended pyrazole ligands is reported, and their zinc(ii) and copper(ii) complexes are studied spectroscopically and crystallographically, revealing the influence of the fused naphthyl substituent.
Are crystallographic B-factors suitable for calculating protein conformational entropy?
Authors: Caldararu Octav , Kumar Rohit , Oksanen Esko , Logan Derek T. , Ryde Ulf
Published: August 2019

It is not possible to obtain reliable entropy estimates from crystallographic B-factors even with re-refined or room-temperature crystal structures.
Rapid determination of uranium isotopes in calcium fluoride sludge by tandem quadrupole ICP-MS/MS
Authors: Xing Shan , Luo Maoyi , Wu Yang , Liu Daqian , Dai Xiongxin
Published: August 2019

A rapid, novel and sensitive method was developed for the determination of uranium isotopes in CaF2sludge by using lithium metaborate fusion and ICP-MS/MS under He mode. This technology could be useful for treatment of radionuclide contaminated nuclear industry waste.
Sound wave activated nano-sieve (SWANS) for enrichment of nanoparticles
Authors: Habibi Ruhollah , Neild Adrian
Published: August 2019

Ultrasonic actuation of a packed bed of microbeads enables the entrapment and enrichment of highly-diluted nanoparticles. The approach offers the possibility of future upscaling and high throughput.
Fabrication of monolayers of uniform polymeric particles by inkjet printing of monodisperse emulsions produced by microfluidics
Authors: Wang Yilin , Deng Renhua , Yang Lisong , Bain Colin D.
Published: August 2019

Schematic of experimental setup for sequential generation of an o/w emulsion by microfluidics and inkjet printing of emulsion droplets.
Microfluidic generation of cholesteric liquid crystal droplets with an integrative cavity for dual-gain and controllable lasing
Authors: Che Kai-Jun , Yang Yu-Jie , Lin Ya-Li , Shan Yu-Wei , Ge Ya-Hao , Li Sen-Sen , Chen Lu-Jian , Yang Chaoyong James
Published: August 2019

We report cholesteric liquid crystal (CLC) triple-emulsion droplet lasers with controllable dual-gain and variable mode excitations, which offers a new route for optofluidic applications.
Fe3O4–Pd Janus nanoparticles with amplified dual-mode hyperthermia and enhanced ROS generation for breast cancer treatment
Authors: Ma Xiaowei , Wang Yanyun , Liu Xiao-Li , Ma Huijun , Li Galong , Li Yao , Gao Fei , Peng Mingli , Fan Hai Ming , Liang Xing-Jie
Published: August 2019

Biocompatible Fe3O4-Pd Janus nanoparticles were designed to achieve significantly high magnetic-photo heating efficiency accompanied by enhanced ROS generation for efficient cancer therapy.
A diversity-oriented synthesis of polyheterocycles via the cyclocondensation of azomethine imine
Authors: Ansari Arshad J. , Pathare Ramdas S. , Kumawat Anita , Maurya Antim K. , Verma Sarika , Agnihotri Vijai K. , Joshi Rahul , Metre Ramesh K. , Sharon Ashoke , Pardasani R. T. , Sawant Devesh M.
Published: August 2019

Pd-Catalyzed sequential reactions to afford skeletally diverse molecules are described.
Crystal structures of plant inorganic pyrophosphatase, an enzyme with a moonlighting autoproteolytic activity
Authors: Grzechowiak Marta , Ruszkowski Milosz , Sliwiak Joanna , Szpotkowski Kamil , Sikorski Michal , Jaskolski Mariusz
Published: August 2019

Inorganic pyrophosphatases (PPases, EC 3.6.1.1), which hydrolyze inorganic pyrophosphate to phosphate in the presence of divalent metal cations, play a key role in maintaining phosphorus homeostasis in cells. DNA coding inorganic pyrophosphatases from Arabidopsis thaliana (AtPPA1) and Medicago truncatula (MtPPA1) were cloned into a bacterial expression vector and the proteins were produced in Escherichia coli cells and crystallized. In terms of their subunit fold, AtPPA1 and MtPPA1 are reminiscent of other members of Family I soluble pyrophosphatases from bacteria and yeast. Like their bacterial orthologs, both plant PPases form hexamers, as confirmed in solution by multi-angle light scattering and size-exclusion chromatography. This is in contrast with the fungal counterparts, which are dimeric. Unexpectedly, the crystallized AtPPA1 and MtPPA1 proteins lack ∼30 amino acid residues at their N-termini, as independently confirmed by chemical sequencing. In vitro, self-cleavage of the recombinant proteins is observed after prolonged storage or during crystallization. The cleaved fragment corresponds to a putative signal peptide of mitochondrial targeting, with a predicted cleavage site at Val31–Ala32. Site-directed mutagenesis shows that mutations of the key active site Asp residues dramatically reduce the cleavage rate, which suggests a moonlighting proteolytic activity. Moreover, the discovery of autoproteolytic cleavage of a mitochondrial targeting peptide would change our perception of this signaling process.
Phobischer Schwankschwindel
Authors: Chrobok Agnieszka I.
Published: August 2019

Persistent postural-perceptual dizziness (PPPD) löst als neue Entität in der 11. Version der „Internationalen statistischen Klassifikation der Krankheiten und verwandter Gesundheitsprobleme“ (ICD-11) der Weltgesundheitsorganisation (WHO), die bis dato gängigen Begriffe, wie phobischer Schwankschwindel oder chronischer subjektiver Schwindel, ab. Diese Entität soll in dem weiten Themenfeld der nicht organischen Schwindel mehr strukturierte diagnostische Kriterien anbieten, um dem klinischen Anwender die Feststellung dieser wichtigen und häufigen Diagnose zu erleichtern. Die Übersicht bietet einen Einblick in die verfügbare Literatur zum Thema PPPD und die wissenschaftlichen Erkenntnisse im Bereich des nicht organischen Schwindels. Als relativ neue Entwicklung der letzten Jahre bedarf dieser gesamte Symptomenkomplex weiterer Studien und Forschungsergebnisse, um die Diversität des Problems in allen seinen Facetten noch besser verstehen zu können.
Kontaktuntersuchungen bei aktiver Tuberkulose und Management latenter Tuberkulose: 5 Jahres-Analyse an einem deutschen Großstadt Gesundheitsamt
Authors: Neuhann Florian , Franek Henrieke , Funke Natalie , Pusch Lynn Marie , Bunte Anne , Blettner Maria
Published: August 2019

Hintergrund Im Rahmen der Tuberkulosekontrolle führen Gesundheitsämter auf Grundlage des Infektionsschutzgesetzes (IfSG) in Deutschland Untersuchungen bei Kontaktpersonen von Tuberkulosepatienten durch, um eine mögliche Infektion bei diesen Personen zu identifizieren. Ziel dieser Untersuchung war es, die Maßnahmen des Kölner Gesundheitsamtes bei neu diagnostizierten Fällen von latenter Tuberkulose Infektion (LTBI) über einen Zeitraum von 5 Jahren retrospektiv zu analysieren.

Material und Methoden Daten des Kölner Gesundheitsamts von Untersuchungen bei Kontaktpersonen von Tuberkuloseerkrankten im Zeitraum 01.07.2012 bis 31.12.2016 wurden analysiert. Fehlende Zeichen einer aktiven Tuberkulose und ein positiver Interferon Gamma Release Assay bildeten die Basis zur Diagnose einer LTBI. Personen mit positiven Testergebnis, die zum Zeitpunkt der Untersuchung mindestens 16 Jahre und in Köln gemeldet waren, wurden mit in die Untersuchung eingeschlossen.

Ergebnisse Von insgesamt 3859 Kontaktpersonen erfüllten 430 Fälle die Einschlusskriterien: bei 174/430 Patienten wurde die Indikation für eine chemopräventive Therapie (CPT) gesehen, 65 LTBI-Patienten (35,1%) führten diese tatsächlich durch; bei 117 Patienten war in den Akten keine Angabe zur Durchführung einer Therapie vermerkt. 22/430 Personen mit LTBI entwickelten innerhalb des Untersuchungszeitraums eine aktive Tuberkulose.

Schlussfolgerung Um das Potenzial der chemopräventiven Therapie der LTBI im Hinblick auf die Empfehlungen der „End TB“-Strategie der Weltgesundheitsorganisation für Deutschland zu optimieren, unterstreichen diese Zahlen den Bedarf, Dokumentation und Management der latenten Tuberkulose weiter zu verbessern
Duality and free energy analyticity bounds for few-body Ising models with extensive homology rank
Authors: Jiang Yi , Dumer Ilya , Kovalev Alexey A. , Pryadko Leonid P.
Published: August 2019

We consider pairs of few-body Ising models where each spin enters a bounded number of interaction terms (bonds) such that each model can be obtained from the dual of the other after freezing k spins on large-degree sites. Such a pair of Ising models can be interpreted as a two-chain complex with k being the rank of the first homology group. Our focus is on the case where k is extensive, that is, scales linearly with the number of bonds n. Flipping any of these additional spins introduces a homologically nontrivial defect (generalized domain wall). In the presence of bond disorder, we prove the existence of a low-temperature weak-disorder region where additional summation over the defects has no effect on the free energy density f(T) in the thermodynamical limit and of a high-temperature region where an extensive homological defect does not affect f(T). We also discuss the convergence of the high- and low-temperature series for the free energy density, prove the analyticity of limiting f(T) at high and low temperatures, and construct inequalities for the critical point(s) where analyticity is lost. As an application, we prove multiplicity of the conventionally defined critical points for Ising models on all { f, d} tilings of the infinite hyperbolic plane, where df/(d + f) > 2. Namely, for these infinite graphs, we show that critical temperatures with free and wired boundary conditions differ, Tc(f)<Tc(w).
Thermal boundary conductance of two-dimensional MoS2 interfaces
Authors: Suryavanshi Saurabh V. , Gabourie Alexander J. , Barati Farimani Amir , Pop Eric
Published: August 2019

Understanding the thermal properties of two-dimensional (2D) materials and devices is essential for thermal management of 2D applications. Here, we perform molecular dynamics simulations to evaluate the thermal boundary conductance (TBC) between one to five layers of MoS2 and amorphous SiO2 as well as between single-layer MoS2 and crystalline AlN. We also calculate the specific heat of MoS2. The results of all calculations are compared to existing experimental data. In general, the TBC of such 2D interfaces is low, below ∼20 MW m−2 K−1, due to the weak van der Waals (vdW) coupling and mismatch of phonon density of states (PDOS) between materials. However, the TBC increases with vdW coupling strength, with temperature, and with the number of MoS2 layers (which introduce additional phonon modes). These findings suggest that the TBC of 2D materials is tunable by modulating their interface interaction, the number of layers, and finding a PDOS-matched substrate, with important implications for future energy-efficient 2D electronics, photonics, and thermoelectrics.
Straintronics in graphene: Extra large electronic band gap induced by tensile and shear strains
Authors: Sahalianov Ihor Yu. , Radchenko Taras M. , Tatarenko Valentyn A. , Cuniberti Gianaurelio , Prylutskyy Yuriy I.
Published: August 2019

The possibility of inducing a sizeable energy gap in the electronic structure of a graphene layer is still one of the biggest and most debated challenges in graphene electronics. Despite promising theoretical results, some experimental studies report the absence of a bandgap even in highly mechanically strained graphene. In this paper, we address the main reasons for these discrepancies and study the influence of uniaxial tensile and shear strains as well as their combinations on the eventual bandgap opening in monolayer graphene. Deformation-dependent bandgap diagrams are constructed over a wide range of the strain tensor parameters of up to 26%, which is close to predicted graphene breaking point. The use of a combination of shear strain and uniaxial tensile deformations is found to be the easiest way for bandgap opening and tuning. The results of our numerical calculations demonstrate that shear strains can induce a bandgap of up to 4 eV at the largest elastic deformations, while a combination of shear and uniaxial strains can provide an energy gap of up to 6 eV that is substantially higher than for some materials (including silicon) typically used in nanoelectronic devices. The numerically obtained findings are carefully contrasted with other results available in the literature.
Bogoliubov theory for dilute Bose gases: The Gross-Pitaevskii regime
Authors: Cenatiempo Serena
Published: August 2019

In 1947, Bogoliubov suggested a heuristic theory to compute the excitation spectrum of weakly interacting Bose gases. Such a theory predicts a linear excitation spectrum and provides expressions for the thermodynamic functions which are believed to be correct in the dilute limit. Thus far, there are only a few cases where the predictions of Bogoliubov can be obtained by means of rigorous mathematical analysis. A major challenge is to control the corrections beyond Bogoliubov theory, namely, to test the validity of Bogoliubov’s predictions in regimes where the approximations made by Bogoliubov are not valid. In these notes, we discuss how this challenge can be addressed in the case of a system of N interacting bosons trapped in a box with volume one in the Gross-Pitaevskii limit, where the scattering length of the potential is of the order 1/N and N tends to infinity. This is a recent result obtained in Boccato et al. [Commun. Math. Phys. (to be published); preprint arXiv:1812.03086 and Acta Math. 222, 219–335 (2019); e-print arXiv:1801.01389], which extends a previous result obtained in Boccato et al. [Commun. Math. Phys. 359, 975 (2018)], removing the assumption of a small interaction potential.
Thinning of glycerol in the presence of multi-walled carbon nanotubes
Authors: Yin Yanchao , Ma Liran , Xu Xuefeng , Tian Yu , Wen Shizhu , Luo Jianbin
Published: August 2019

Hydrogen bonding is an important index to determine the viscosity of liquids containing a hydroxyl group. The change of hydrogen bond must change the viscosity of liquid. Glycerol is a kind of polyhydroxy high viscosity liquid. The rheological property is one of the biggest concerns for glycerol. Reduction of glycerol viscosity without diluting or heating to change its hydrogen bonding is considered to be challenging. Here, we demonstrate the effect of multiwalled carbon nanotubes (MWNTs) on the thinning of glycerol. The viscosity of glycerol was decreased at certain proportions, with a viscosity reduction range of 0.54%–1.17%. The hydrogen bond network was broken by the adsorption and space-limiting effect of MWNTs. Transmission electron microscopy and computer simulation results showed that glycerol molecular clusters were mainly dispersed on the surface of MWNTs and adsorbed into the internal pipe of MWNTs. A cavity between the glycerol molecules and MWNTs performed the space-limiting role of MWNTs. MWNTs simultaneously acted as a viscosifier and viscosity reducer. These two effects show a competitive relationship with the amount of additional changes. We expect these results to provide a new perspective in controlling rheological behavior and reveal the underlying interaction between hydroxy liquids and nanomaterials.
Supercontinuum second harmonic generation spectroscopy of atomically thin semiconductors
Authors: Stiehm Torsten , Schneider Robert , Kern Johannes , Niehues Iris , Michaelis de Vasconcellos Steffen , Bratschitsch Rudolf
Published: August 2019

Two-dimensional semiconductors have recently emerged as promising materials for novel optoelectronic devices. In particular, they exhibit favorable nonlinear optical properties. Potential applications include broadband and ultrafast light sources, optical signal processing, and generation of nonclassical light states. The prototypical nonlinear process second harmonic generation (SHG) is a powerful tool to gain insight into nanoscale materials because of its dependence on crystal symmetry. Material resonances also play an important role in the nonlinear response. Notably, excitonic resonances critically determine the magnitude and spectral dependence of the nonlinear susceptibility. We perform ultrabroadband SHG spectroscopy of atomically thin semiconductors by using few-cycle femtosecond infrared laser pulses. The spectrum of the second harmonic depends on the investigated material, MoS2 or WS2, and also on the spectral and temporal shape of the fundamental laser pulses used for excitation. Here, we present a method to remove the influence of the laser by normalization with the flat SHG response of thin hexagonal boron nitride crystals. Moreover, we exploit the distinct angle dependence of the second harmonic signal to suppress two-photon photoluminescence from the semiconductor monolayers. Our experimental technique provides the calibrated frequency-dependent nonlinear susceptibility χ(2)(ω) of atomically thin materials. It allows for the identification of the prominent A and B exciton resonances, as well as excited exciton states.
Comparisons of electrical/magneto-transport properties of degenerate semiconductors BiCuXO (X = S, Se and Te) and their electron-phonon-interaction evolution
Authors: Chen Si-Si , Luo Ye-Cheng , Zhang Yan-Yan , Dong Song-Tao , Lv Yang-Yang , Cui Yu-Shuang , Yao Shu-Hua , Zhou Jian , Chen Y. B.
Published: August 2019

Layered BiCuXO (X = S, Se, and Te) compounds attract much attention recently because of their superior thermoelectric properties. However, the major shortcoming of these compounds is the relatively large electrical resistance. Exploring the mechanism of electrical scattering of BiCuXO can give some hints on how to optimize their electrical conductivity. Here, we compared electrical and magnetotransport properties of degenerate semiconductor BiCuXO. These compounds show metallic electrical properties, and the in-plane resistivity is linearly dependent on the temperature at the high-temperature regime (>150 K). The magnetoresistance of these compounds is approximately quadratically dependent on the square of magnetic field B, and magnetoresistance decreases from 10%–16% to 0.5% when the temperature is increased from 2 to 300 K. The Hall measurements substantiate that the electrical carriers of BiCuXO are holes, which perhaps come from Bi vacancies. The electron-optical-phonon interaction is the major mechanism of electron scattering when the temperature is higher than 80 K. Analyzing the linear coefficient ρxx-T of BiCuXO (X = S, Se, and Te) suggests that the averaged electron-phonon interaction of BiCuSO is nearly six times larger than that of BiCuSeO/BiCuTeO. Based on the Thomas-Fermi model, compared with BiCuSO, the weak electron-phonon interaction in BiCuSeO/BiCuTeO could be attributed to a highly screened Coulomb interaction between electrons and ions. This work may be useful to optimize the electrical properties of BiCuXO to satisfy the requirement of thermoelectric materials.
Direct simulation Monte Carlo on petaflop supercomputers and beyond
Authors: Plimpton S. J. , Moore S. G. , Borner A. , Stagg A. K. , Koehler T. P. , Torczynski J. R. , Gallis M. A.
Published: August 2019

The gold-standard definition of the Direct Simulation Monte Carlo (DSMC) method is given in the 1994 book by Bird [Molecular Gas Dynamics and the Direct Simulation of Gas Flows (Clarendon Press, Oxford, UK, 1994)], which refined his pioneering earlier papers in which he first formulated the method. In the intervening 25 years, DSMC has become the method of choice for modeling rarefied gas dynamics in a variety of scenarios. The chief barrier to applying DSMC to more dense or even continuum flows is its computational expense compared to continuum computational fluid dynamics methods. The dramatic (nearly billion-fold) increase in speed of the largest supercomputers over the last 30 years has thus been a key enabling factor in using DSMC to model a richer variety of flows, due to the method’s inherent parallelism. We have developed the open-source SPARTA DSMC code with the goal of running DSMC efficiently on the largest machines, both current and future. It is largely an implementation of Bird’s 1994 formulation. Here, we describe algorithms used in SPARTA to enable DSMC to operate in parallel at the scale of many billions of particles or grid cells, or with billions of surface elements. We give a few examples of the kinds of fundamental physics questions and engineering applications that DSMC can address at these scales.