bluuebunny/crossref_metadata_2025 huggingface dataset:
Specific counter-cation effect on the molecular orientation of thiocyanate anions at the aqueous solution interface
Authors: Hao Hongxing , Xie Qing , Ai Jingwen , Wang Yuan , Bian Hongtao
Published: April 2020

Understanding the interfacial structure of aqueous electrolyte solutions is important and relevant to a wide range of systems, ranging from atmospheric aerosols to electrochemistry, and biological environments.
Direct magnetic-field dependence of NMR chemical shift
Authors: Kantola Anu M. , Lantto Perttu , Heinmaa Ivo , Vaara Juha , Jokisaari Jukka
Published: April 2020

It is proven with experiments and computations the significant contribution of the direct field effect on the59Co chemical shift in Co(acac)3dissolved in CDCl3.
The fabrication of a thiol-modified chitosan magnetic graphene oxide nanocomposite and its adsorption performance towards the illegal drug clenbuterol in pork samples
Authors: Jiang Xu , Pan Wenyue , Chen Mengying , Yuan Yunxia , Zhao Longshan
Published: April 2020

Thiol-modified chitosan magnetic graphene oxide as a novel MSPE adsorbent for enrichment and extraction of clenbuterol in pork samples.
Application and mechanism of ferrihydrite in the EDDS improved heterogeneous photo-Fenton system: the role of different reactive species under different conditions
Authors: Xie Hongjie , Luo Mengqi , Huang Wenyu , Huang Ying , Feng Xiaoqing , Xu Zisong , Luo Wei , Wang Shuangfei , Lin Hongfei , Mailhot Gilles
Published: April 2020

The application of carboxylic acid and natural iron oxide in heterogeneous AOP systems for the treatment of organic pollutants in water has attracted extensive attention.
Facile template-free synthesis of new α-MnO2 nanorod/silver iodide p–n junction nanocomposites with high photocatalytic performance
Authors: Salari Hadi , Kohantorabi Mona
Published: April 2020

High-efficiency photocatalytic performance and mechanism of MnO2/AgI for organic pollutant degradation.
Efficient charge separation between ZnIn2S4 nanoparticles and polyaniline nanorods for nitrogen photofixation
Authors: Chen Shaohua , Zhao Xiaoli , Xie Fazhi , Tang Zhi , Wang Xiufang
Published: April 2020

Novel core–shell polyaniline@ZnIn2S4 core–shell heterostructure photocatalysts have been prepared using a simple synthesis process, and they exhibit superior performances of photocatalytic N2 reduction to NH3 in an atmospheric environment.
Conversion of WO3 thin films into self-crosslinked nanorods for large-scale ultraviolet detection
Authors: Kim Youngho , Lee Sang Hoon , Jeong Seyoung , Kim Bum Jun , Choi Jae-Young , Yu Hak Ki
Published: April 2020

We heat-treated an amorphous large-area WO3 thin film to synthesize high-density, high-quality WO3 nanorods.
An organic–inorganic composite separator for preventing shuttle effect in lithium–sulfur batteries
Authors: Cho Jinil , Ahn Yong-keon , Gong Yong Jun , Pyo Seonmi , Yoo Jeeyoung , Kim Youn Sang
Published: April 2020

The proposed organic–inorganic composite separator strongly reduces the dissolution issue of lithium polysulfide and prevents the movement of polysulfide. Also, it improves the stability of lithium metal anode by evenly distributing the flux of lithium ions.
Using microprojectiles to study the ballistic limit of polymer thin films
Authors: Chen Shawn H. , Souna Amanda J. , Soles Christopher L. , Stranick Stephan J. , Chan Edwin P.
Published: April 2020

In this work, a microballistic impact test called laser induced projectile impact test (LIPIT) was used to study the perforation behavior of polycarbonate thin films to demonstrate the importance of film thickness on the film's ballistic limit.
Diffusion behavior of peptide amphiphiles containing different numbers of alkyl tails at a hydrophobic solid–liquid interface: single molecule tracking investigation
Authors: Xiong Bijin , Chen Zhenxian , Yin Xiaoyan , Wang Yingying , Jiang Hao , Zhu Jintao
Published: April 2020

Using the single molecule tracking technique, the diffusion behavior of peptide amphiphiles (PAs) with different numbers of alkyl tails at a hydrophobic solid–liquid interface has been investigated.
Risk Feeding: An Australian Pediatric Palliative Care Perspective
Authors: Radford Claire , Marshall Jeanne , Herbert Anthony , Irving Helen , Weir Kelly
Published: April 2020

Purpose

This article explores the challenges of risk feeding from an Australian Paediatric Palliative Care perspective. There is currently limited evidence to guide risk feeding in pediatric clinical practice. Therefore, this article uses evidence from the adult palliative and end-of-life care context (extrapolating to pediatric application), in addition to the authors' clinical experience in supporting children and their families with risk feeding. Recommendations for the clinical management of pediatric risk feeding are discussed, including the suggested focus for families and the interprofessional team along the different phases of the palliative care continuum.

Conclusion

There is currently limited information to guide decision making regarding risk feeding in pediatrics. Overall, in the absence of evidence-based practice guidelines, it is the authors' recommendation that a risk feeding plan is developed in consultation and collaboration with the family, treating physician, and interprofessional team. Further research is required to support guidance for clinicians working in this area.
Near-optimal control problems for forward-backward regime-switching systems
Authors: Li Min , Wu Zhen
Published: April 2020

This paper investigates the near-optimality for a class of forward-backward stochastic differential equations (FBSDEs) with continuous-time finite state Markov chains. The control domains are not necessarily convex and the control variables do not enter forward diffusion term. Some new estimates for state and adjoint processes arise naturally when we consider the near-optimal control problem in the framework of regime-switching. Inspired by Ekeland’s variational principle and a spike variational technique, the necessary conditions are derived, which imply the near-minimum condition of the Hamiltonian function in an integral sense. Meanwhile, some certain convexity conditions and the near-minimum condition are sufficient for the near-optimal controls with order ε1/2. A recursive utility investment consumption problem is discussed to illustrate the effectiveness of our theoretical results.
Zehn Jahre Rauchverbot − Auswirkungen des Nichtraucherschutzgesetzes am Beispiel des traditionellen Kneipenviertels der Kölner Südstadt
Authors: Brünsing J. , Majorski D. S. , Windisch W.
Published: April 2020

Hintergrund Seit September 2007 regelt das Bundesnichtraucherschutzgesetz ein gesetzliches Rauchverbot. Dieses regelt ein generelles Rauchverbot in Einrichtungen des Bundes, in Verkehrsmitteln des öffentlichen Personenverkehrs sowie in Personenbahnhöfen. Weitere Rauchverbote sind uneinheitlich geregelt und unterscheiden sich innerhalb der einzelnen Bundesländer. Neben Plätzen öffentlichen Interesses, Sportstätten und dem Arbeitsplatz galt immer auch besonderes Augenmerk auf Diskotheken und Gaststätten, wo seit jeher vermehrt geraucht wurde. Für die in dieser Arbeit betrachtete Situation der Kneipen der Südstadt in Köln gilt das erweiternde Gesetz zum Schutz von NichtraucherInnen in NRW vom 20. Dezember 2007.

Methodik Eine Befragung mittels gesondert erstelltem, 24-Items umfassendem Fragebogen wurde durchgeführt. Befragt wurden BesucherInnen ausgewählter Kneipen über 26 Jahre, damit sichergestellt war, dass bei Einführung des Nichtraucherschutzgesetzes die Teilnehmenden das damalige legale Alter zum Rauchen erreicht hatten.

Die Datenakquirierung erfolgte sowohl in Direktbefragungen von Teilnehmenden in ausgewählten Lokalen der Kölner Südstadt als auch mittels Online-Umfragen, auf welche in Presse, Fernsehen und über soziale Medien aufmerksam gemacht wurde.

Ergebnisse Insgesamt wurden 1318 vollständig ausgefüllte Fragebögen evaluiert. Die Teilnehmenden waren im Durchschnitt 49 Jahre alt (± 12,1). Aus den 1318 auswertbaren Fragebögen ergab sich, dass im Jahr 2007 von den Befragten 726 aktiv rauchten (55,1 %). 2018 gaben noch 518 (39,3 %) (p: < 0,001) Befragte an, aktiv zu rauchen. Von den aktiven RaucherInnen konsumierten 2007 insgesamt 289 von 726 (39,8 %) mehr als 20 Zigaretten am Tag. 2018 waren es 179 von 518 (34,6 %) (p: < 0,001). In die Gruppe der mittelschweren RaucherInnen mit 10 – 19 Zigaretten pro Tag fielen 2007 303 Personen (41,7 % der Rauchenden), 2018 waren es noch 227 (43,8 %) (p: < 0,001). Der Gruppe der Wenigrauchenden mit 1 – 9 Zigaretten am Tag zugehörig waren 2007 insgesamt 134 Personen (18,5 %), 2018 noch 112 Personen (21,6 %) (p: < 0,001). Unter den aktiven RaucherInnen stellte in dieser Befragung das Rauchverbot die relevanteste Ursache für eine Veränderung des Rauchverhaltens dar. Bei Nicht- oder ehemals Rauchenden waren gesundheitliche Aspekte sowie Familie und Freunde die entscheidenden Faktoren, Tabakprodukte abzulehnen.

Zusammenfassung Durch die Untersuchung konnte anhand der 1318 TeilnehmerInnen umfassenden Stichprobe unter Kneipenbesuchenden gezeigt werden, dass die Anzahl an aktiven RaucherInnen seit Einführung des Nichtraucherschutzgesetzes 2007 signifikant und deutlich zurückgegangen ist. Weiterhin konnte festgestellt werden, dass in der heutigen Zeit die Zahl von Menschen mit eher geringem Zigarettenkonsum signifikant zunimmt.
Von der onkologischen Reha-Klinik an den Wohnort –
Schnittstellenanalyse unter Berücksichtigung der
Bewegungsangebote
Authors: Wirtz Petra , Weber Rabea , Baumann Freerk T.
Published: April 2020

Ziel der Studie Die Erhebung untersucht und vergleicht die Wissens- und
Informationsvermittlung in den Krebssportgruppen und Rehakliniken zum Thema
Bewegung und Sport in der Krebsnachsorge in Deutschland. Ein weiterer
Untersuchungsgegenstand ist die Art der Vermittlung der Patienten in die
Krebssportgruppen. Eine etwaige Zusammenarbeit zwischen Rehakliniken und
Krebssportgruppen wird zudem überprüft.

Methodik Es wurde ein Befragungskonzept durch 2 aufeinander aufbauende
Querschnittsanalysen mittels selbst konzipierter Fragebögen angewendet.
Die erste Befragung (2015) fokussierte onkologische Rehabilitationskliniken in
Deutschland, die nach definierten Einschlusskriterien ausgewählt wurden.
Mithilfe der Ergebnisse wurde die zweite Befragung (2018) generiert, und mittels
eines Online-Tools an die Ansprechpartner und Leiter der Krebssportgruppen
versendet.

Ergebnisse Es wurden 33 Rehabilitationskliniken mit 44 828
behandelten Patienten (im Jahr 2014) sowie 126 Krebssportgruppen mit 1896
Krebssportgruppen-Teilnehmer einbezogen. 99% der Patienten wurden laut
der Reha-Kliniken über den Rehabilitationssport in der Krebsnachsorge
informiert. Bei 18% der Krebssportgruppen bestand direkter Kontakt mit
onkologischen Rehazentren/-kliniken, wobei umgekehrt 57% der
Kliniken persönliche Kontaktdaten der
Übungsleiter/Ansprechpartner am Wohnort an die Patienten
vermitteln. 78% der Rehaklinik-Patienten erhielten konkrete,
individuelle Bewegungsempfehlungen für den Sport am Wohnort, wobei
lediglich 23% der Teilnehmer mit spezifischen Bewegungsempfehlungen,
nach Aussage der Krebssportgruppenleiter, in die Gruppe kamen.

Schlussfolgerung Es zeigt sich insgesamt ein recht inhomogenes Bild: Die
Teilnehmer der Krebssportgruppen zeigten einen deutlich geringeren Informations-
und gegensätzlichen Verordnungsstand als die Patienten, die aus der
Rehabilitationsklinik entlassen wurden. Eine Erklärung ist, dass
weiterhin die meisten Patienten über die niedergelassenen Ärzte
in die Krebssportgruppen kommen, und von diesen nur ein Bruchteil vorher in den
Rehakliniken waren, in denen umfassende Informationsangebote existieren. Der
Aufbau einer obligaten sektorenübergreifenden Vernetzung in Deutschland,
zwischen den Krebssportgruppen, Rehabilitationskliniken und niedergelassenen
Ärzten ist abzuwägen, wodurch sich die Versorgungsstruktur
qualitativ aber auch quantitativ optimieren könnte.
BX3-Mediated Intermolecular Formation of Functionalized 3-Halo-1H-indenes via Cascade Halo-Nazarov-Type Cyclization
Authors: Fernandes Rodney A. , Kumari Anupama
Published: April 2020

A BX3-promoted, intermolecular regioselective synthesis of 3-halo-functionalized 1H-indenes from 4-oxo-4H-chromene-3-carb­aldehydes and alkynes has been developed. BX3 displays a dual role of Lewis acid catalyst and halide source for haloallyl cation formation for the intended halo-Nazarov-type cyclization. The overall transformation represents an efficient cascade annulation that employs readily available starting materials, inexpensive reagents and a convenient and mild reaction procedure to generate halo-functionalized indenes (45 examples). The reaction was also extended to 8-formylcoumarins to deliver coumarin-based 3-halo-1H-indenes in 79–95% yield (6 examples). The reaction involves conversion of the aldehyde into an sp3 carbon with two new C–C bonds and additionally a C–X bond is formed (X = halide).
A Method of Shoulder Spica Cast Application In Shoulder Muscle Transfer Patients In Supine Position
Authors: Shah Harsh R. , Bhandari Praweshi Singh , Goklani Mayur , Thatte Mukund R
Published: April 2020

Background Children with birth brachial plexus injury (BBPI) often require secondary surgery for the shoulder. The shoulder spica is necessary after shoulder muscle transfer surgery in babies with BBPI. However, its application can be difficult in the supine position under anesthesia. The authors describe a simple and cost-effective method of applying the shoulder spica cast without changing the supine position under anesthesia.

Technique  While still under anesthesia, the child is placed in a supine position and then elevated on the wooden bar. The POP roll is wrapped around in a cylindrical manner, starting from the level one inch above the anterior superior iliac spine. The contralateral shoulder is also incorporated into the cast.

Conclusion The spica application technique described comprises commonly available materials, such as a wooden plank, pair of bolsters, plaster of Paris rolls, and dressing materials overcoming the need for customized apparatus or the operation table. The materials are easy to assemble and thereby applicable just about anywhere. The task also becomes less challenging for the anesthetic in the supine position. This technique is easily reproducible and cost-effective.
Chronic Tenosynovitis of the Upper Extremities Caused by Mycobacterium kansasii: A Clinical Case and Systematic Review of Literature
Authors: Huayllani Maria T. , Sisti Andrea , Boczar Daniel , Restrepo David J. , Parker Alexander S. , Sarabia-Estrada Rachel , Rinker Brian D. , Forte Antonio Jorge
Published: April 2020

Background Chronic tenosynovitis of the upper extremities caused by Mycobacterium kansasii (M. kansasii) is uncommon, but symptoms may overlap with other more common diseases. Late diagnosis and treatment can lead to disfiguration of structures and rupture of tendons, resulting in worse cosmetic outcomes after reconstruction.

Methods We present a clinical case and literature review of M. kansasii in patients with chronic tenosynovitis of upper extremities. PubMed was queried for cases of upper extremities tenosynovitis caused by M. kansasii. The keywords “M. kansasii,” “tenosynovitis” and synonyms were used for search in different combinations. Manuscripts, with no specific data or another condition, where the infection was not located in the upper extremities, were reviews, or not in English, were excluded from the study.

Results We described 23 reported cases of tenosynovitis of the upper extremity caused by M. kansasii. An immunosuppressed state was present in eight (34.8%) cases, and 12 (52.2%) patients received immunosuppressive treatment. A long-time period between the first appearance of symptoms and the definitive diagnosis was identified (median: 7 months, interquartile range: 9). The most frequent symptoms were local swelling (65.2%), pain (56.5%), mass effect (26%), and stiffness (13%). Tendon rupture was found in three (13%) patients as a complication of the disease. Moreover, seven (30.4%) patients underwent previous surgeries to try to relieve the symptoms before definitive diagnosis was achieved.

Conclusion M. kansasii is an important differential causal pathogen for tenosynovitis of the upper extremities. Although rare, raising awareness about this infectious disease is imperative to avoid inadequate management and hazardous aesthetic sequelae.
Functional gas sensing nanomaterials: A panoramic view
Authors: Malik Ritu , Tomer Vijay K. , Mishra Yogendra Kumar , Lin Liwei
Published: April 2020

The alarming rise of indoor pollution and the need to combat the associated negative effects have promoted increasing attention in modernizing the chemical sensing technologies by newly designed materials with rich and tunable functionalities at atomic or molecular levels. With the appealing physical, chemical, optical, and electronic properties for various potential applications, the state-of-art gas-sensing nanomaterials and their future perspectives are well-documented and summarized in this paper. Specifically, the key performance attributes are addressed in detail such as the sensitivity, selectivity, reversibility, operating temperature, response time, and detection limit. As such, this review provides both critical insights in exploring and understanding various gas sensing nanomaterials and points out limitations and opportunities for further developments, such as morphology control, doping and surface alteration, atomic-scale characterization, and applications in different fields. Finally, the challenges and outlooks are discussed on the basis of the current developments.
Free-free Gaunt factors of hydrogen-like ions in dense quantum plasmas
Authors: Wu Ju Yan , Qi Yue Ying , Cheng Yong Jun , Wu Yong , Wang Jian Guo , Janev R. K. , Zhang Song Bin
Published: April 2020

The free-free Gaunt factors as functions of the initial electron energy εi of hydrogen-like ions are investigated, for a typical photon absorption energy of ω= 10 Ry in strongly coupled quantum plasmas, where the screened Coulomb interactions are modeled as the cosine-Debye–Hückel potentials. The free-free Gaunt factors in the strongly coupled quantum plasmas exhibit remarkably different features from the ones in the weakly coupled classical plasmas. The results of the free-free processes are featured with the resonances when the screening length κ is close to the critical screening length κnlc(the corresponding bound state |nl〉 merges into the continuum state when the screening length approaches the value). It is found that these resonances can be roughly classified into two types: the enhanced broad resonance and the shape-type narrow resonance. The former one appears when κ→κnsc, where a virtual state |ns〉 with near-zero-energy exists, while the latter one (κ→κnlc, l≥1) is formed by the temporary capture of a continuous electron by an effective short-range potential. Note that when the screening length is close to both κnpc and κn sc, the Gaunt factors would exhibit a superimposition of a narrow shape-type resonance and a broad resonance. Given that the free-free Gaunt factor is a summation over the angular momentum, the main contributions of different partial waves to the resonance behavior are further analyzed.
Predicting the interaction between nanoparticles in shear flow using lattice Boltzmann method and Derjaguin–Landau–Verwey–Overbeek (DLVO) theory
Authors: Jiang Li , Rahnama Mohammad , Zhang Biao , Zhu Xun , Sui Pang-Chieh , Ye Ding-Ding , Djilali Ned
Published: April 2020

The functionality and performance of colloidal suspensions used in catalyst layer preparation and biomedical applications are largely dependent on the interaction between nanoparticles in colloidal suspension systems. Previous models (e.g., collision model) usually rely on an artificial repulsive force as the sole interaction between nanoparticles to prevent overlapping, but fail to capture the agglomeration or reveal the effect of solvents. In this study, the Derjaguin–Landau–Verwey–Overbeek (DLVO) theory is implemented in conjunction with a lattice Boltzmann-smoothed profile method developed to simulate the dynamic solid–fluid and particle–particle interactions between nanoparticles in shear flow. Both aqueous and non-aqueous solvents are considered. The model consists of an attractive van der Waals force and repulsive electrostatic and Born forces in aqueous solvents and is modified for non-aqueous solvents by replacing the repulsive electrostatic force by Coulombic repulsion. The numerical model is validated against a benchmark analytic solution for the motion of one nanoparticle in shear flow. For two-particle systems, physically representative simulations are obtained with the DLVO models, resulting in nanoparticles that remain attached or eventually detach depending on a critical particle Reynolds number. Furthermore, the DLVO models properly resolve the effect of solvents on nanoparticle motion. The improved representation of inter-particle interactions achieved with the DLVO and modified-DLVO models provides a physically consistent approach to simulate and investigate agglomeration and dispersion in colloidal suspensions.
Stability of porous-Poiseuille flow with uniform vertical throughflow: High accurate solution
Authors: Shankar B. M. , Shivakumara I. S.
Published: April 2020

This paper investigates the influence of a uniform vertical throughflow on the stability of Poiseuille flow in a Newtonian fluid-saturated Brinkman porous medium. The solution to the stability eigenvalue problem is obtained numerically using the Chebyshev collocation and the Galerkin methods. The vertical throughflow, irrespective of its direction, imparts an identical stabilizing/destabilizing effect on the fluid flow. The throughflow dependent Reynolds number RT instills both stabilizing and destabilizing effects in a fluid saturated channel of porous medium and the range of RT up to which the system gets destabilized increases with increasing porous parameter. The results for the clear fluid case are also obtained as a particular case from the present study, and contrary to the porous case, throughflow always displays a stabilizing effect. Moreover, the numerical solutions presented will be useful for checking the performance and accuracy of any numerical methodologies.
The photovoltaic and photoconductive photodetector based on GeSe/2D semiconductor van der Waals heterostructure
Authors: Yang Zhenyu , Jiang Bei , Zhang Zhijie , Wang Zhongzheng , He Xiaobo , Wan Da , Zou Xuming , Liu Xingqiang , Liao Lei , Shan Fukai
Published: April 2020

Although plenty of two-dimensional (2D) semiconductor heterostructure photodetectors have been studied, there is still a lack of systematic comparison and analysis about photovoltaic and photoconductive 2D semiconductor photodetectors. Taking advantage of the 2D semiconductor van der Waals heterostructure, this work constructs a photovoltaic (PV) GeSe/MoS2 and a photoconductive (PC) GeSe/graphene photodetector, respectively. The PC GeSe/graphene photodetector achieves relatively higher photoresponsivity (R), where R can reach up to 104 AW−1. The PV GeSe/MoS2 photodetector, by contrast, obtains a faster photoresponse speed. More importantly, the photoresponse properties of the PV GeSe/MoS2 photodetector can remain constant under the reverse bias, due to the minority carrier conduction in its depletion region at this time. The different characteristics of the two type 2D photodetectors are explored in detail, which can play a guiding role in the construction of high-performance photodetectors.
Precise resistance measurement of quantum anomalous Hall effect in magnetic heterostructure film of topological insulator
Authors: Okazaki Yuma , Oe Takehiko , Kawamura Minoru , Yoshimi Ryutaro , Nakamura Shuji , Takada Shintaro , Mogi Masataka , Takahashi Kei S. , Tsukazaki Atsushi , Kawasaki Masashi , Tokura Yoshinori , Kaneko Nobu-Hisa
Published: April 2020

The accuracy of Hall resistance in the quantum anomalous Hall effect has been studied at zero magnetic field using Crx(Bi,Sb)2−x Te3-based magnetic heterostructure films of topological insulators. The measured deviation of the Hall resistance from its theoretical value h/e2 was less than 2 ppm when the source drain current was 30 nA. This result has verified that the quantization of the Hall resistance is very accurate in the magnetic heterostructure films and in the previously reported uniformly doped films.
Software developed to make rheological information easy to exchange
Authors: Mandel Savannah
Published: April 2020

RepTate, a free and open-source software for sharing rheological data, has been updated to be compatible across Windows, Mac and Linux.
Review and numerical investigation of the mean flow features of a round turbulent jet in counterflow
Authors: Rovira Marc , Engvall Klas , Duwig Christophe
Published: April 2020

A turbulent jet in counterflow is a lesser-studied jet configuration which exhibits great potential for mixing applications in sustainable energy production. In this paper, a comprehensive literature review of the research in counter-flowing jets is performed. Experimental and numerical results for mean and turbulent quantities are reviewed, and similarities and differences between datasets are discussed. Additionally, large eddy simulations (LESs) are carried out in order to study a turbulent jet in counterflow at several jet-to-counterflow velocity ratios (α = 2.2, 3.4, 5.1). The effect of two different jet inflow conditions is investigated. The LES results are directly compared to the available literature, and the subsequent analysis sheds light on the differences seen in the review. Finally, a set of recommendations and best practices are provided in order to aid future studies of jets in counterflow.
Harmonic surface mapping algorithm for molecular dynamics simulations of particle systems with planar dielectric interfaces
Authors: Liang Jiuyang , Yuan Jiaxing , Luijten Erik , Xu Zhenli
Published: April 2020

We have developed an accurate and efficient method for molecular dynamics simulations of charged particles confined by planar dielectric interfaces. The algorithm combines the image-charge method for near field with the harmonic surface mapping, which converts the contribution of infinite far-field charges into a finite number of charges on an auxiliary spherical surface. We approximate the electrostatic potential of far-field charges via spherical harmonic expansion and determine the coefficients by fitting the Dirichlet-to-Neumann boundary condition, which only requires the potential within the simulation cell. Instead of performing the direct evaluation of spherical harmonic series expansion, we use Green’s second identity to transform the series expansion into a spherical integral, which can be accurately represented by discrete charges on the sphere. Therefore, the fast multipole method can be readily employed to sum over all charges within and on the sphere, achieving truly linear O(N) complexity. Our algorithm can be applied to a broad range of charged complex fluids under dielectric confinement.
Impact of inbreeding on milk fatty acids of a Brazilian Holstein cattle
Authors: Carrara Eula Regina , de Genova Gaya Leila , de Paiva José Teodoro , Petrini Juliana , Salvian Mayara , Rovadoscki Gregori Alberto , Chaves Zanetti Reis Arícia , Machado Paulo Fernando , Barreto Mourão Gerson
Published: April 2020

Context
Reproductive technologies may either contribute to the increase of genetic gains or inbreeding levels in dairy cattle breeding programs and herds. In general, studies have evaluated the impacts of inbreeding on traditional traits, such as production and reproduction. However, studies on novel traits, such as milk fatty acids profile, are scarce in the literature.

Aim
We aimed to evaluate the impact of inbreeding levels on milk fatty acids profile measured in a Brazilian Holstein cattle population.

Methods
Monthly records of the percentages (%) of palmitic, stearic, oleic, total saturated, unsaturated, monounsaturated and polyunsaturated fatty acids in milk were collected from 2047 Holstein cows between May and December 2012. The pedigree file contained 7963 animals over seven generations. The inbreeding trend was evaluated by linear regression of inbreeding coefficients on generations. The inbreeding impacts on breeding and phenotypic values were evaluated by linear regression of breeding values and phenotypic values on generations respectively. Breeding values were obtained by a Bayesian approach based on an animal model that included the systematic effect of contemporary group, cubic effect of days in milk as a covariate, and the random direct additive genetic and animal permanent environmental effects.

Key results
The average inbreeding coefficient was 0.28% for all animals, and 1.39% for inbred animals. Inbreeding tended to increase 0.24% per generation (P-value <0.0001). The regression coefficients of phenotypic values on inbreeding were not significant for saturated, unsaturated, monounsaturated, palmitic, stearic and oleic fatty acids (P-values >0.18, 0.10, 0.16, 0.26, 0.51 and 0.09 respectively); whereas for polyunsaturated fatty acids, they were significant (P-value <0.04), with an increase of –0.000978% on phenotypic values for each 1% increase in inbreeding. The regression coefficients of breeding values on inbreeding were not significant for unsaturated, monounsaturated, polyunsaturated, stearic and oleic fatty acids (P-values >0.33, 0.78, 0.48, 0.32 and 0.07 respectively). However, they were significant for saturated and palmitic fatty acids (P-values <0.03 and 0.0001 respectively), presenting an increase of 0.000689% and 0.000283% respectively on breeding values for each 1% increase in inbreeding.

Conclusions
There was a significant increase in inbreeding coefficients over the studied generations; however, the impacts on both breeding and phenotypic values were small, when significant.

Implications
Our study may contribute to the understanding of how inbreeding levels may affect the fatty acids profile in a Brazilian Holstein cattle population, as well as encourage future research on this subject.
Twinning rate is not genetically correlated with production and reproduction traits in Iranian dairy cows
Authors: Samaneh Asadollahi Seyedeh , Ghavi Hossein-Zadeh Navid
Published: April 2020

Context
Any interruption to the reproductive system can negatively influence animal performance, and suitable animal-management practices should be adopted that will decrease the occurrence of reproductive problems such as may be the case with twinning.

Aims
The study was designed to estimate genetic parameters for twinning rate (TR) and to estimate genetic correlations between twinning rate and production and reproductive performances in the first lactation of Iranian Holstein cows.

Methods
The dataset used in this study was collected by the Animal Breeding Center of Iran during 1991–2013 and consisted of 273742 records of calving type (singleton or twin), 435742 records of 305-day milk yield, 424175 records of milk fat percentage, 253901 records of milk protein percentage, 251558 records of first calving interval, and 153632 records of number of days to first service. A single Gibbs sampling chain with 500000 rounds was generated to run linear and threshold animal models.

Key results
Posterior mean estimates of heritabilities for traits were: TR 0.0028, milk yield 0.28, milk fat percentage 0.33, milk protein percentage 0.38, first calving interval 0.064, and days to first service 0.061. Genetic correlations between TR and performance traits were negligible and varied from –0.08 (between TR and milk yield) to 0.04 (between TR and protein percentage).

Conclusions
Diminishing TR by genetic selection is a slow task owing to its low heritability. Negligible genetic correlation between TR and performance traits suggests that selection for decreased TR would not cause a significant decrease in milk production, nor is it likely to have a negative impact on the reproductive performance of dairy cows.

Implications
Dairy cattle breeders should follow genetic selection programs, especially for milk-production traits, without concern for an increase in twinning rate.
How do speakers and hearers disambiguate multi-functional words?
Authors: Rühlemann Christoph , Gries Stefan Th.
Published: April 2020

Wellis an exemplary multi-functional word performing pragmatic and syntactic functions. That multi-functionality poses a potential problem: How do hearers in conversation determine which function is actualized and how do speakers project the function actualized? We address both questions examining factors hearers rely on to disambiguatewelland the resources speakers deploy to designatewell’s function. The study is based on 8-, 9-, and 10-word turns containingwellextracted from the British National Corpus for which audio files from the Audio BNC are available. We include duration, measuringwell’s durations in Praat. The workflow comprised both qualitative and quantitative methods. Qualitatively, all turns were manually inspected and the functions and subfunctions ofwellwere identified. Due to data paucity the quantitative analysis was based only on a broad distinction between syntactic and pragmatic functions. The analysis involved two logistic regression model selection processes, one adopting a hearer, one a speaker perspective. Based on the factors position in the turn, duration and lexical context, our final models indicate that hearers disambiguate the two main functions ofwelldrawing on lexical context and position in the turn while speakers projectwell’s functions by modulating duration. We propose thatHoey’s (2005)6th priming hypothesis, concerned with polysemy, can be extended to also include polyfunctionality. Position also suggests a reading in terms of Hoey’s ‘textual colligation’ hypothesis related to a word’sposition: particularly in its incarnation as a marker of dispreferreds, pragmaticwellis heavily primed to occur turn-initially.
Pò(‘break’),qiē(‘cut’) andkāi(‘open’) in Chinese
Authors: Du Jing , Li Fuyin Thomas , Xu Mengmin
Published: April 2020

This study explores the conceptual boundaries amongbreak, cutandopenfrom an under-investigated diachronic perspective and addresses the diachronic conceptual variations of Chinesepò(‘break’),qiē(‘cut’) andkāi(‘open’). The Center for Chinese Linguistics corpus is employed for the extraction of historical data. Correspondence analyses are conducted for uncovering the conceptual boundary variations amongpò, qiē, andkāi. In doing so, this study, situated in Diachronic Prototype Semantics, has revealed that: (1) The conceptual ranges ofpò,qiēandkāigreatly overlapped in ancient Chinese, but their division of labor becomes increasingly clear-cut in Mandarin. (2) By the stage of Modern Mandarin, these three lexical categories have formed their own prototypical structures and categorize separation events of state change in virtue of a lexical continuum “kāi-pò-qiē”. (3) Language selection, semantic specialization, as well as conceptual reorganization are proposed as contributing factors for these changes.
On the crucial role of “Arousal” and “Saliency” in affective iconicity
Authors: Aryani Arash
Published: April 2020

Tsur and Gafni (T&G) claim that individual sounds can suggest “elementary percepts,” which, depending on the context, can evoke “specific emotions.” However, their proposal suffers from a lack of a theoretical framework and embedding of the theory in the broader scholarly literature. In terms of existing emotion theories and in line with the results of our previous neurocognitive studies on the topic, the proposed differentiation between these two levels of processing can be best represented by two affective dimensions of arousal and valence, respectively. In addition, our statistical measure for assessing the basic affective tone of texts suggests that the use of mere or rational frequencies of occurrence of all phonemes in a poem – instead of a focus on foregrounded and salient phonemes – may be a further reason for discrepancies of results of previous studies.
The compactness of spatial structure in Chinese cities: measurement, clustering patterns and influencing factors
Authors: Zhao Fangqi , Tang Lina , Qiu Quanyi , Wu Gang
Published: April 2020

Rapid urbanization in China has led to an excessive urban expansion of built-up areas, which makes quantitative research on compact city important. We adopted density and the degree of mixed land use to measure the compactness of 160 Chinese cities. Spatial autocorrelation analysis was performed to identify spatial clustering patterns, and the relationships between compactness and five variables were explored through regression models. The result shows that in nearly half of the cases, the calculated values of two indices are less than the average. The high or low values of density and the degree of mixed land use tend to be spatially clustered. The hot spot regions of density and the degree of mixed land use lie mainly in the south of China, while the north present as cold spots or the insignificant regions. Urban compactness can be affected by multifaceted factors and the relationships between compactness and five variables are not consistent throughout the areas of analysis. The GWR model can identify this phenomenon and provides a better fit than the OLS model. This study proposed a new approach to measure the compactness, and the results of GWR analysis can conducive to appropriate policy-making based on different local conditions.
PRDM16 suppresses HIF-targeted gene expression in kidney cancer
Authors: Kundu Anirban , Nam Hyeyoung , Shelar Sandeep , Chandrashekar Darshan S. , Brinkley Garrett , Karki Suman , Mitchell Tanecia , Livi Carolina B. , Buckhaults Phillip , Kirkman Richard , Tang Yawen , Rowe Glenn C. , Wei Shi , Varambally Sooryanarayana , Sudarshan Sunil
Published: April 2020

Analysis of transcriptomic data demonstrates extensive epigenetic gene silencing of the transcription factor PRDM16 in renal cancer. We show that restoration of PRDM16 in RCC cells suppresses in vivo tumor growth. RNaseq analysis reveals that PRDM16 imparts a predominantly repressive effect on the RCC transcriptome including suppression of the gene encoding semaphorin 5B (SEMA5B). SEMA5B is a HIF target gene highly expressed in RCC that promotes in vivo tumor growth. Functional studies demonstrate that PRDM16’s repressive properties, mediated by physical interaction with the transcriptional corepressors C-terminal binding proteins (CtBP1/2), are required for suppression of both SEMA5B expression and in vivo tumor growth. Finally, we show that reconstitution of RCC cells with a PRDM16 mutant unable to bind CtBPs nullifies PRDM16’s effects on both SEMA5B repression and tumor growth suppression. Collectively, our data uncover a novel epigenetic basis by which HIF target gene expression is amplified in kidney cancer and a new mechanism by which PRDM16 exerts its tumor suppressive effects.
Single-cell RNA sequencing of murine islets shows high cellular complexity at all stages of autoimmune diabetes
Authors: Zakharov Pavel N. , Hu Hao , Wan Xiaoxiao , Unanue Emil R.
Published: April 2020

Tissue-specific autoimmune diseases are driven by activation of diverse immune cells in the target organs. However, the molecular signatures of immune cell populations over time in an autoimmune process remain poorly defined. Using single-cell RNA sequencing, we performed an unbiased examination of diverse islet-infiltrating cells during autoimmune diabetes in the nonobese diabetic mouse. The data revealed a landscape of transcriptional heterogeneity across the lymphoid and myeloid compartments. Memory CD4 and cytotoxic CD8 T cells appeared early in islets, accompanied by regulatory cells with distinct phenotypes. Surprisingly, we observed a dramatic remodeling in the islet microenvironment, in which the resident macrophages underwent a stepwise activation program. This process resulted in polarization of the macrophage subpopulations into a terminal proinflammatory state. This study provides a single-cell atlas defining the staging of autoimmune diabetes and reveals that diabetic autoimmunity is driven by transcriptionally distinct cell populations specialized in divergent biological functions.
Substrate orientation effects on nanoelectrode lithography: ReaxFF molecular dynamics and experimental study
Authors: Murad Hasan Rashed Md. , Politano Olivier , Luo Xichun
Published: April 2020

The crystallographic orientation of the substrate is an essential parameter in the kinetic mechanism for the oxidation process. Hence, the choice of substrate surface orientation is crucial in nanofabrication industries. In the present work, we have studied qualitatively the influence of substrate orientation in nanoelectrode lithography using ReaxFF reactive molecular dynamics simulation. We have investigated the oxidation processes on (100), (110) and (111) orientation surfaces of silicon at different electric field intensities. The simulation results show the thickness of the oxide film and the initial oxygen diffusion rate follow an order of (100) > (110) > (111) at lower electric field intensities. It also confirms that surfaces with higher surface energy are more reactive at lower electric field intensity. Crossovers occurred at a higher electric field intensity (7 V nm−1) under which the thickness of the oxide film yields an order of T(110) > T(100) > T(111). These types of anomalous characteristics have previously been observed for thermal oxidation of silicon surfaces. Experimental results show different orders for the (100) and (111) substrate, while (110) remains the largest for the oxide thickness. A good correlation has been found between the oxide growth and the orientation-dependent parameters where the oxide growth is proportional to the areal density of the surfaces. The oxide growth also follows the relative order of the activation energies, which could be another controlling factor for the oxide growth. Less activation energy of the surface allows more oxide growth and vice versa. However, the differences between simulation and experimental results probably relate to the empirical potential as well as different time and spatial scales of the process.
Torque magnetometry study of the spin reorientation transition and temperature-dependent magnetocrystalline anisotropy in NdCo5
Authors: Kumar Santosh , Patrick Christopher E , Edwards Rachel S , Balakrishnan Geetha , Lees Martin R , Staunton Julie B
Published: April 2020

We present the results of torque magnetometry and magnetic susceptibility measurements to study in detail the spin reorientation transition (SRT) and magnetic anisotropy in the permanent magnet NdCo5. We further show simulations of the measurements using first-principles calculations based on density-functional theory and the disordered local moment picture of magnetism at finite temperatures. The good agreement between theory and experimental data leads to a detailed description of the physics underpinning the SRT. In particular we are able to resolve the magnetization of, and to reveal a canting between, the Nd and Co sublattices. The torque measurements carried out in the ac and ab planes near the easy direction allow us to estimate the anisotropy constants, K
1, K
2 and K
4 and their temperature dependences. Torque curves, τ(γ) recorded by varying the direction of a constant magnetic field in the crystallographic ac plane show a reversal in the polarity as the temperature is changed across the SRT (240 < T < 285 K). Within this domain, τ(γ) exhibits unusual features different to those observed above and below the transition. The single crystals of NdCo5 were grown using the optical floating zone technique.
Work adaptations insufficient to address growing heat risk for U.S. agricultural workers
Authors: Tigchelaar Michelle , Battisti David S , Spector June T
Published: April 2020

The over one million agricultural workers in the United States (U.S.) are amongst the populations most vulnerable to the health impacts of extreme heat. Climate change will further increase this vulnerability. Here we estimate the magnitude and spatial patterns of the growing heat exposure and health risk faced by U.S. crop workers and assess the effect of workplace adaptations on mitigating that risk. We find that the average number of days spent working in unsafe conditions will double by mid-century, and, without mitigation, triple by the end of it. Increases in rest time and the availability of climate-controlled recovery areas can eliminate this risk but could affect farm productivity, farm worker earnings, and/or labor costs much more than alternative measures. Safeguarding the health and well-being of U.S. crop workers will therefore require systemic change beyond the worker and workplace level.
Devolution and the politics of communal tenure reform in Kenya
Authors: Achiba Gargule A , Lengoiboni Monica N
Published: April 2020

Increased legal access and the devolution of natural resource administration are generally seen as sources of power for local communities and their institutions. However, beyond this widely held expectation, the politics of land reform suggest that legal recognition of rights and devolution is not the only issue with implications for communal tenure reforms. Misconceptions about communal tenure, which are rooted in history, and their appropriation by local elites in the processes of communal tenure reform are characteristic of both colonial and post-colonial governments in Kenya. Although typically articulated and promulgated to enhance political representation and to devolve control over resources to the local level, unresolved issues in the reform process have worked to undermine the legitimacy of communal land rights in contemporary Kenyan society. A case study of the post-2010 community land legislation process demonstrates the continuing relevance of historically conditioned political and ideological representations of communal tenure built during the colonial period and reproduced in policy in independent Kenya. This paper offers reflections on the centrality of sustained communal tenure misconceptions, fetishization of formal governance institutions, and the institutional and power configurations that primarily benefit powerful stakeholders as sources of the current breakdown in the implementation of community land law.