bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sulfur(IV)‐Mediated Unsymmetrical Heterocycle Cross‐Couplings
Authors: Zhou Min , Tsien Jet , Qin Tian 
Published: February 2020

AbstractDespite the tremendous utilities of metal‐mediated cross‐couplings in modern organic chemistry, coupling reactions involving nitrogenous heteroarenes remain a challenging undertaking – coordination of Lewis basic atoms into metal centers often necessitate elevated temperature, high catalyst loading, etc. Herein, we report a sulfur (IV) mediated cross‐coupling amendable for the efficient synthesis of heteroaromatic substrates. Addition of heteroaryl nucleophiles to a simple, readily‐accessible alkyl sulfinyl (IV) chloride allows formation of a trigonal bipyramidal sulfurane intermediate. Reductive elimination therefrom provides bis‐heteroaryl products in a practical and efficient fashion.
Activation of Water‐Splitting Photocatalysts by Loading with Ultrafine Rh–Cr Mixed‐Oxide Cocatalyst Nanoparticles
Authors: Kurashige Wataru , Mori Yutaro , Ozaki Shuhei , Kawachi Masanobu , Hossain Sakiat , Kawawaki Tokuhisa , Shearer Cameron J. , Iwase Akihide , Metha Gregory F. , Yamazoe Seiji , Kudo Akihiko , Negishi Yuichi 
Published: February 2020

AbstractThe activity of many water‐splitting photocatalysts could be improved by the use of RhIII–CrIII mixed oxide (Rh2−xCrxO3) particles as cocatalysts. Although further improvement of water‐splitting activity could be achieved if the size of the Rh2−xCrxO3 particles was decreased further, it is difficult to load ultrafine (<2 nm) Rh2−xCrxO3 particles onto a photocatalyst by using conventional loading methods. In this study, a new loading method was successfully established and was used to load Rh2−xCrxO3 particles with a size of approximately 1.3 nm and a narrow size distribution onto a BaLa4Ti4O15 photocatalyst. The obtained photocatalyst exhibited an apparent quantum yield of 16 %, which is the highest achieved for BaLa4Ti4O15 to date. Thus, the developed loading technique of Rh2−xCrxO3 particles is extremely effective at improving the activity of the water‐splitting photocatalyst BaLa4Ti4O15. This method is expected to be extended to other advanced water‐splitting photocatalysts to achieve higher quantum yields.
Hierarchical Self‐Assembled Photo‐Responsive Tubisomes from a Cyclic Peptide‐Bridged Amphiphilic Block Copolymer
Authors: Yang Jie , Song Ji‐Inn , Song Qiao , Rho Julia Y. , Mansfield Edward D. H. , Hall Stephen C. L. , Sambrook Megan , Huang Feihe , Perrier Sébastien 
Published: February 2020

AbstractTypically, the morphologies of the self‐assembled nanostructures from block copolymers are limited to spherical micelles, wormlike micelles and vesicles. Now, a new generation of materials with unique shape and structures, cylindrical soft matter particles (tubisomes), are obtained from the hierarchical self‐assembly of cyclic peptide‐bridged amphiphilic diblock copolymers. The capacity of obtained photo‐responsive tubisomes as potential drug carriers is evaluated. The supramolecular tubisomes pave an alternative way for fabricating polymeric tubular structures, and will expand the toolbox for the rational design of functional hierarchical nanostructures.
Highly Active Superbulky Alkaline Earth Metal Amide Catalysts for Hydrogenation of Challenging Alkenes and Aromatic Rings
Authors: Martin Johannes , Knüpfer Christian , Eyselein Jonathan , Färber Christian , Grams Samuel , Langer Jens , Thum Katharina , Wiesinger Michael , Harder Sjoerd 
Published: February 2020

AbstractTwo series of bulky alkaline earth (Ae) metal amide complexes have been prepared: Ae[N(TRIP)2]2 (1‐Ae) and Ae[N(TRIP)(DIPP)]2 (2‐Ae) (Ae=Mg, Ca, Sr, Ba; TRIP=SiiPr3, DIPP=2,6‐diisopropylphenyl). While monomeric 1‐Ca was already known, the new complexes have been structurally characterized. Monomers 1‐Ae are highly linear while the monomers 2‐Ae are slightly bent. The bulkier amide complexes 1‐Ae are by far the most active catalysts in alkene hydrogenation with activities increasing from Mg to Ba. Catalyst 1‐Ba can reduce internal alkenes like cyclohexene or 3‐hexene and highly challenging substrates like 1‐Me‐cyclohexene or tetraphenylethylene. It is also active in arene hydrogenation reducing anthracene and naphthalene (even when substituted with an alkyl) as well as biphenyl. Benzene could be reduced to cyclohexane but full conversion was not reached. The first step in catalytic hydrogenation is formation of an (amide)AeH species, which can form larger aggregates. Increasing the bulk of the amide ligand decreases aggregate size but it is unclear what the true catalyst(s) is (are). DFT calculations suggest that amide bulk also has a noticeable influence on the thermodynamics for formation of the (amide)AeH species. Complex 1‐Ba is currently the most powerful Ae metal hydrogenation catalyst. Due to tremendously increased activities in comparison to those of previously reported catalysts, the substrate scope in hydrogenation catalysis could be extended to challenging multi‐substituted unactivated alkenes and even to arenes among which benzene.
General framework for testing Poisson‐Voronoi assumption for real microstructures
Authors: Vittorietti Martina , Kok Piet J. J. , Sietsma Jilt , Li Wei , Jongbloed Geurt 
Published: February 2020

AbstractModeling microstructures is an interesting problem not just in materials science, but also in mathematics and statistics. The most basic model for steel microstructure is the Poisson‐Voronoi diagram. It has mathematically attractive properties and it has been used in the approximation of single‐phase steel microstructures. The aim of this article is to develop methods that can be used to test whether a real steel microstructure can be approximated by such a model. Therefore, a general framework for testing the Poisson‐Voronoi assumption based on images of two‐dimension sections of real metals is set out. Following two different approaches, according to the use or not of periodic boundary conditions, three different model tests are proposed. The first two are based on the coefficient of variation and the cumulative distribution function of the cells area. The third exploits tools from to topological data analysis, such as persistence landscapes.
A regional population‐based hereditary breast cancer screening tool in Italy: First 5‐year results
Authors: Cortesi Laura , Baldassarri Bruna , Ferretti Stefano , Razzaboni Elisabetta , Bella Mariangela , Bucchi Lauro , Canuti Debora , De Iaco Pierandrea , De Santis Giorgio , Falcini Fabio , Galli Vania , Godino Lea , Leoni Maurizio , Perrone Anna Myriam , Pignatti Marco , Saguatti Gianni , Santini Donatella , Sassoli de'Bianchi Priscilla , Sebastiani Federica , Taffurelli Mario , Tazzioli Giovanni , Turchetti Daniela , Zamagni Claudio , Naldoni Carlo 
Published: February 2020

AbstractBackgroundUp to 10% of individuals with breast cancer (BC) belong to families with hereditary syndromes. The aim of this study was to develop an instrument to identify individuals/families at high‐hereditary risk for BC and offer dedicated surveillance programs according to different risks.MethodsThe instrument consisted of a primary questionnaire collecting history of BC and ovarian cancer (OC). This questionnaire was applied to women enrolled in the Emilia‐Romagna Breast Cancer Screening Program. General practitioners (GPs) and specialists could propose the same questionnaire too. Women with a score of ≥ 2, were invited to complete an oncogenetic counseling. According to the Tyrer‐Cuzick evaluation, women considered at high risk were invited to involve the most representative alive individual of the family affected with BC/OC for BRCA1/2 genetic testing.ResultsSince January 2012 and December 2016, 660 040 women were evaluated by the regional screening program, of which 22 289 (3.5%) were invited to the Spoke evaluation, but only 5615 accepted (25.2%). Totally, also considering women sent by GPs and specialists, 11 667 were assessed and 5554 were sent to the Hub evaluation. Finally, 2342 (42.8%) women fulfilled the criteria for genetic testing, and 544 (23.2%) resulted BRCA1/2 mutation carriers.ConclusionsTo our knowledge, this is the first regional population‐based multistep model that is aimed to identify individuals with BRCA1/2 mutations and to offer an intensive surveillance program for hereditary‐high risk women. This tool is feasible and effective, even if more efforts must be performed to increase the acceptance of multiple assessments by the study population.
One‐Piece Stainless‐Steel 3D Printed Minichannel Evaporators using Flow Boiling Carbon Dioxide
Authors: Kneer Aron , Wirtz Michael , Bozkurt Marcel Can , Solohub Alexander , Laufer Timo , Hauf Markus , Altmannsberger Thomas , Bieg Hermann , Barbe Stephan 
Published: February 2020

AbstractNew concepts are required for high‐performance minichannel evaporators with low mass and reduced size involved in the cooling of cylindrical or conical surfaces. The development of one‐piece stainless‐steel evaporators using flow boiling CO2 for the cooling of conical copper test specimens heated by a foil heater element is presented. The specimens mimic a mobile cooling device used in high‐energy and particle physics. The stainless‐steel evaporators were manufactured with a state‐of‐the‐art 3D stainless‐steel printer via selective laser melting. The computer‐aided design and the construction of this new type of evaporators are described. A dedicated two‐phase accumulator controlled loop filled with liquid CO2 was developed, it allowed for operating four parallel connected evaporators. Cooling efficiency and manufacture reproducibility were experimentally investigated by applying different thermal loads and refrigerant mass flows.
WS2/MoS2 Heterostructures through Thermal Treatment of MoS2 Layers Electrostatically Functionalized with W3S4 Molecular Clusters
Authors: Morant‐Giner Marc , Brotons‐Alcázar Isaac , Shmelev Nikita Y. , Gushchin Artem L. , Norman Luke T. , Khlobystov Andrei N. , Alberola Antonio , Tatay Sergio , Canet‐Ferrer Josep , Forment‐Aliaga Alicia , Coronado Eugenio 
Published: February 2020

AbstractThe preparation of 2D stacked layers combining flakes of different nature gives rise to countless numbers of heterostructures where new band alignments, defined at the interfaces, control the electronic properties of the system. Among the large family of 2D/2D heterostructures, the one formed by the combination of the most common semiconducting transition metal dichalcogenides, WS2/MoS2, has awakened great interest owing to its photovoltaic and photoelectrochemical properties. Solution as well as dry physical methods have been developed to optimize the synthesis of these heterostructures. Here, a suspension of negatively charged MoS2 flakes is mixed with a methanolic solution of a cationic W3S4‐core cluster, giving rise to a homogeneous distribution of the clusters over the layers. In a second step, a calcination of this molecular/2D heterostructure under N2 leads to the formation of clean WS2/MoS2 heterostructures, where the photoluminescence of both counterparts is quenched, proving an efficient interlayer coupling. Thus, this chemical method combines the advantages of a solution approach (simple, scalable, and low‐cost) with the good quality interfaces reached by using more complicated traditional physical methods.
Baubetriebliche Untersuchung von Robotersystemen im Mauerwerksbau
Authors: Malkwitz Alexander , Spengler Arnim J. , Bruckmann Tobias 
Published: February 2020

AbstractDie Bedeutung von Robotersystemen in der Bauwerkserstellung wird künftig stetig zunehmen. Das zeigt sich u. a. an den zunehmenden Pressemeldungen über erfolgreiche Bauvorhaben und der steigenden Anzahl an verfügbaren Systemen. In diesem Artikel wird untersucht, wo die spezifischen Stärken und Schwächen einzelner Robotersysteme liegen. An der Universität Duisburg‐Essen wird derzeit am Einsatz von Seilrobotern im Mauerwerksbau geforscht. Der vorliegende Artikel präsentiert erste Ergebnisse der Versuchsreihen am Seilroboter. Grundlage bilden die gewonnenen Erkenntnisse sowie die Auswertung vorhandener Literatur und die Sichtung von aktuellem Videomaterial. Ein Ergebnis ist, dass jedes Robotersystem spezifische Stärken und Schwächen aufweist und der Seilroboter gut im Mauerwerksbau eingesetzt werden kann. Es zeigt sich, dass die Kombination und Parallelfertigung mit verschiedenen Robotersystemen langfristig die gefundenen Schwächen einzelner Systeme ausgleichen kann.(zuerst veröffentlicht: Malkwitz, A., Spengler, A.J., Bruckmann, T. (2019) Baubetriebliche Untersuchung von Robotersystemen im Mauerwerksbau. Bautechnik, 96: 375–379. https://doi.org/10.1002/bate.201800090)
Family functioning and involvement in home visiting: Examining program characteristics as moderators to support retention in services
Authors: McKelvey Lorraine M. , Fitzgerald Shalese 
Published: February 2020

ABSTRACTDeveloping strategies to improve retention in home visiting programs is critical to their success. The purpose of the study is to examine how the content provided during home visits moderates the association between family risks (economic, household functioning, and conflict) and retention in services. Parents (n = 1,322) voluntarily enrolled in Healthy Families America (n = 618) and Parents as Teachers (n = 704). Family characteristics were collected using the Family Map Inventories. Multilevel analyses showed a moderating impact of the time home visitors spent supporting parent–child interaction for all family risks examined. Moderating effects demonstrated a stronger positive association between focusing on the parent–child relationship and retention at 6 and 12 months for parents demonstrating greater needs. There were no moderating effects of child development content or case management activities with retention at 6 and 12 months. Together, families were more likely to stay in services when home visitors focused on parent–child interaction and child development, but less likely retained with more case management. Parents with greater risks were more likely to remain in services with more time focused on supporting parent–child interactions. Findings suggest the need to support our home visiting workforce in their work to promote healthy parent–child relationships.
Expulsion prevention: Framework for the role of infant and early childhood mental health consultation in addressing implicit biases
Authors: Davis Annie E. , Perry Deborah F. , Rabinovitz Lauren 
Published: February 2020

ABSTRACTYoung children of color—especially boys—are at disproportionate risk for suspension and expulsion from early care and education settings. Infant and Early Childhood Mental Health Consultation (IECMHC) is an approach associated with lower than expected expulsion rates, but the mechanisms through which it may influence preschool expulsion are unknown. This paper reflects on the parallels between IECMHC and interventions created to reduce implicit bias. Based on interviews with leaders in IECMHC practice, implementation, and evaluation, a theoretical framework was created to articulate how IECMHC is hypothesized to affect expulsion by first reducing the influence of implicit bias on disciplinary decisions. Implications for practice and research are provided.
Q5‐factorization of λKn
Authors: Doğan Oğuz , Küçükçifçi Selda , Yazıcı Emine Ş. 
Published: February 2020

AbstractQk is the simple graph whose vertices are the k‐tuples with entries in {0, 1} and edges are the pairs of k‐tuples that differ in exactly one position. In this paper, we proved that there exists a Q5‐factorization of λKn if and only if (a) n ≡ 0(mod 32) if λ ≡ 0(mod 5) and (b) n ≡ 96(mod 160) if λ ≢ 0(mod 5).
Prolonged methamphetamine exposure during a critical period in neonatal Sprague Dawley rats does not exacerbate egocentric and allocentric learning deficits but increases reference memory impairments
Authors: Williams Michael T. , Amos‐Kroohs Robyn M. , Vorhees Charles V. 
Published: February 2020

AbstractChildren exposed to methamphetamine (MA) in utero have cognitive deficits. MA administration in rats for 5–10 days between postnatal days (P)6 and 20 produces cognitive deficits. The purpose of this study was to determine if extending MA administration by 5 days within P6–20 would exacerbate allocentric (Morris water maze) and egocentric (Cincinnati water maze) learning deficits. Sprague Dawley female and male offspring (split‐litter design) were administered saline (SAL) or MA (10 mg/kg) four times daily from P6 to 20 to create four groups: (a) SAL from P6 to 20, (b) MA from P6 to 20 (MA6–20), (c) MA from P6 to 15 (MA6–15), or (d) MA from P11 to 20 (MA11–20); the latter groups received saline on days they did not receive MA. Egocentric, allocentric, and conditioned freezing tests began on P60. The MA6–15 and MA6–20 groups showed egocentric deficits, all MA groups had allocentric deficits but no differences in conditioned freezing compared with SAL controls. The MA6–15 and MA6–20 groups had similar deficits in learning and memory that were larger than in the MA11–20 group. Learning in both mazes was sex dependent, but no interactions with MA were found. The data demonstrate that extending the exposure period of MA beyond the sensitive periods (P6–15 and P11–20) did not exacerbate the cognitive deficits.
Unidirectional, Ultrafast, and Bright Spontaneous Emission Source Enabled By a Hybrid Plasmonic Nanoantenna
Authors: Yang Guoce , Shen Qixin , Niu Yijie , Wei Hong , Bai Benfeng , Mikkelsen Maiken H. , Sun Hong‐Bo 
Published: February 2020

AbstractInefficient and wide‐angle emission as well as low emission rate of optical nanoemitters (such as quantum dots) have been strongly limiting their practical applications in next‐generation nanophotonic devices, such as nanoscale light‐emitting diodes (LEDs) and on‐chip single photon sources. Optical nanoantennas provide a promising way to deal with these challenges. Yet, there has been no solution that can overcome these drawbacks simultaneously on a single device. Here, a hybrid plasmonic nanoantenna consisting of a silver nanocube positioned at the center of a gold concentric‐ring structure is proposed, which can simultaneously enhance the emission directionality and decay rate of quantum dots embedded in the nanogap beneath the nanocube while maintaining high quantum efficiency. Coupling quantum dots to this nanoantenna can result in 60% of the emitted photons collected by the first lens with a numerical aperture (NA) of 0.5 and 21% for a NA of 0.12. The total emission intensity and decay rate are enhanced by 121‐fold and 424‐fold, respectively, compared with quantum dots on a glass substrate. A high quantum efficiency above 50% is obtained in simulation. This novel platform can be applied to enhance various types of optical nanoemitters and to develop high‐speed directional nano‐LEDs and single photon sources.
Evaluation of allelic alterations in short tandem repeats in papillary thyroid cancer
Authors: Dang Zhen , Li Lu , Kong Xia , Zhang Guoan , Liu Qi , Li Haibin , Li Liang , Zhang Renya , Cui Wen , Wang Yequan 
Published: February 2020

AbstractBackgroundMalignant tissue samples may be the only source of biological material for forensic investigations, including individual identification or paternity testing; however, such samples may lead to uncertainties due to frequent genomic aberrations associated with tumors, including alterations of the short tandem repeat (STR) loci used for forensic casework.MethodsShort tandem repeat loci routinely used in forensic analysis (n = 23) were analyzed in 68 surgically removed papillary thyroid cancer specimens. Tumor cells and normal stromal cells were separated by laser capture microdissection.ResultsFour kinds of changes were detected between normal and tumor tissues: partial loss of heterozygosity (pLOH), complete loss of heterozygosity, an additional allele, and a new allele not found in normal tissue. These changes were distributed across 20 of the tested STRs, with no mutations in VWA, D16S539, or Penta D. The most frequently affected locus was D2S1338, and the most frequent type of alteration was pLOH. Samples from patients aged 40–59 years exhibited the highest frequencies of STR variation.ConclusionOur results suggest that great care should be taken in the evaluation of DNA typing results obtained from malignant tissues, particularly when no normal tissue reference samples are available.
A generalized decoupling numerical framework for polymeric gels and its element‐free implementation
Authors: Li D. M. , Kong Ling‐Hao , Liu Jia‐Hui 
Published: February 2020

SummaryCoupled diffusion of solvent molecules and mechanical stretching of polymeric networks induced swelling/deswelling in polymeric gels contributes to the ability of its “smart response” and “environmental sensitivity.” In this article, the coupled diffusion and large deformation of polymeric gels are clarified into three kinds of deformation conditions which all involve swelling/deswelling. The real numerical challenge is identified for simulating swelling/deswelling induced deformation of gels by solving the partial deferential control equation of a popular monophase model for gels in steady equilibrium state with a standard process of numerical discretization. To address the numerical challenge, a generalized decoupling numerical framework is developed based on a multiplicative decomposition of deformation gradient. The proposed framework is more flexible and works for almost all cases of deformation of gels no matter involving swelling/deswelling or not. Its element‐free implementation is also developed using the element‐free IMLS‐Ritz method and is validated through analyzing the three‐dimensional stable and unstable large deformation of the constrained gel cube and
tube.
Mechanisms of Sperm Oxidation: Breaking Down the Origins of Oxidative Activity
Authors: Bertolla Ricardo P. 
Published: February 2020

AbstractOxidative stress has been long considered an important cause of male infertility, and sperm‐derived reactive oxygen species (ROS) have been considered one of the major sources. In article number 1900205, Issue 2, Netherton et al. have improved upon current technologies for detection of true ROS‐derived oxidative events from those originated by mitochondrial compounds. Moreover, the authors have isolated proteins that bear lipid aldehyde adducts, in order to verify their origin. In their paper, Netherton et al. demonstrate that sperm‐derived ROS do not contribute to sperm oxidative stress, which is an important finding, given that most studies consider altered sperm a major source of seminal ROS. Moreover, adducted proteins are mostly of prostatic origin, which leads to questions regarding how and where the oxidative events occur. Under the light of this study and the methodological improvements it has brought, it may be important to revisit some foundation studies in semen and sperm oxidative stress.
Back Cover
Authors: Wang Jin‐Yan , Zhang Hao , Siemann Evan , Ji Xiang‐Yun , Chen Yi‐Juan , Wang Yi , Jiang Jie‐Xian , Wan Nian‐Feng 
Published: February 2020

The back cover image is based on the Research Article Immunity of an insect herbivore to an entomovirus is affected by different host plants by Jin‐Yan Wang et al., https://doi.org/10.1002/ps.5609.
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A distribution‐free CUSUM chart for joint monitoring of location and scale based on the combination of Wilcoxon and Mood statistics
Authors: Tercero‐Gómez Víctor , Aguilar‐Lleyda Victor , Cordero‐Franco Alvaro , Conover William 
Published: February 2020

AbstractWe propose a distribution‐free cumulative sum (CUSUM) chart for joint monitoring of location and scale based on a Lepage‐type statistic that combines the Wilcoxon rank sum and the Mood statistics. Monte Carlo simulations were used to obtain control limits and examine the in‐control and out‐of‐control performance of the new chart. A direct comparison of the new chart was made with the original CUSUM Lepage based on Wilcoxon rank sum and Ansari‐Bradley statistics. The result is a more powerful chart in most of the considered scenarios and thus a more useful CUSUM chart. An example using real data illustrates how the proposed control chart can be implemented.