bluuebunny/crossref_metadata_2025_split huggingface dataset:
All‐Printed MnHCF‐MnOx‐Based High‐Performance Flexible Supercapacitors
Authors: Liang Jing , Tian Bin , Li Shuaiqi , Jiang Changzhong , Wu Wei 
Published: February 2020

AbstractHere, a simple active materials synthesis method is presented that boosts electrode performance and utilizes a facile screen‐printing technique to prepare scalable patterned flexible supercapacitors based on manganese hexacyanoferrate‐manganese oxide and electrochemically reduced graphene oxide electrode materials (MnHCF‐MnOx/ErGO). A very simple in situ self‐reaction method is developed to introduce MnOx pseudocapacitor material into the MnHCF system by using NH4F. This MnHCF‐MnOx electrode materials can deliver excellent capacitance of 467 F g−1 at a current density of 1 A g−1, which is a 2.4 times capacitance increase compared to MnHCF. In addition a printed, patterned, flexible MnHCF‐MnOx/ErGO supercapacitor is fabricated, showing a remarkable areal capacitance of 16.8 mF cm−2 and considerable energy and power density of 0.5 mWh cm−2 and 0.0023 mW cm−2, respectively. Furthermore, the printed patterned flexible supercapacitors also exhibit exceptional flexibility, and the capacitance remains stable, even while bending to various angles (60°, 90°, and 180°) and for 100 cycles. The flexible supercapacitor arrays integrated by multiple prepared single supercapacitors can power various LEDs even in the bent states. This approach offers promising opportunities for the development of printable energy storage materials and devices with high energy density, large scalability, and excellent flexibility.
Is it necessary to manage falling number in the field?
Authors: Delwiche Stephen R. , Tao Haiying , Breslauer Rachel S. , Vinyard Bryan T. , Rausch Steven R. 
Published: February 2020

AbstractWheat (Triticum aestivum L.)‐growing areas of the U.S. Pacific Northwest, particularly eastern Washington and northern Idaho, are hillier than other wheat‐producing areas in the country. This may produce microclimate variation within a field due to differences in elevation and solar exposure thus causing corresponding variation in yield at harvest. It is unknown whether falling number (FN), an indirect indicator of endogenous α‐amylase activity and hence end‐product quality, is also affected. The aim of this study was to determine the utility of using local (subfield) topographical data to make decisions on segregating potentially low FN wheat produced from susceptible regions within a field. In two consecutive seasons, six large fields in commercial production were studied to reveal effects of elevation and solar exposure on FN. Elevation, slope, and aspect were determined through referencing land coordinates to U.S. Geological Survey (USGS) elevation datasets and ArcMap tools. Theoretical direct solar radiation flux energy increments were summed over the growing period. Findings indicate that for five of the six fields an elevation effect on FN was not significant despite a variation by as much as 50 m within a field. Direct energy flux was positively correlated with FN for two fields (r = .469 and .704) in the first season, but negatively correlated for one field in the second season (r = –.507). However, even in cases when energy flux or elevation trends were significant, these effects were minor. Thus, in‐field segregation of wheat during harvest is not necessary in favorable seasons.
Corn production under restricted irrigation in the Texas High Plains
Authors: Thapa Sushil , Xue Qingwu , Marek Thomas H. , Xu Wenwei , Porter Dana , Jessup Kirk E. 
Published: February 2020

AbstractSustainable corn (Zea mays L.) production in the semiarid Texas High Plains (THP) relies on irrigation water from the Ogallala Aquifer, but it is well known that the aquifer is declining. A 3‐yr (2010–2012) field study was conducted to find whether successful corn production is possible using only 60% (300 mm) of the current average irrigation for the region (500 mm). Three corn hybrids (Pioneer P31G96, Pioneer P33D49, and Monsanto DKC67‐87) were planted at four densities (5, 6, 7, and 8 plants m−2) under a center pivot sprinkler system. Seasonal precipitation was highest in 2010 (224 mm), followed by 2012 (132 mm), and 2011 (85 mm). Seasonal evapotranspiration for corn ranged between 426 and 635 mm. Yield was significantly lower in 2011 (2.4 Mg ha−1) and 2012 (6.0 Mg ha−1) than 2010 (13.3 Mg ha‐1) due to severe drought conditions combined with unusually high temperatures in those years. Increase in planting density increased biomass at silking but did not increase yield. Grain yield was related to biomass at maturity, harvest index, and biomass increase during grain filling. Results suggest that corn yields of about 13 Mg ha−1 are possible with only 300 mm of irrigation in the THP, but production risk is high due to frequent years with low seasonal precipitation.
Prevalence of type II workplace violence among home healthcare workers: A meta‐analysis
Authors: Byon Ha Do , Lee Mijung , Choi Min , Sagherian Knar , Crandall Mary , Lipscomb Jane 
Published: February 2020

AbstractBackgroundHome healthcare workers (HHWs) provide medical and nonmedical services to home‐bound patients. They are at great risk of experiencing violence perpetrated by patients (type II violence). Establishing the reliable prevalence of such violence and identifying vulnerable subgroups are essential in enhancing HHWs’ safety. We, therefore, conducted meta‐analyses to synthesize the evidence for prevalence and identify vulnerable subgroups.MethodsFive electronic databases were searched for journal articles published between 1 January 2005 and 20 March 2019. A total of 21 studies were identified for this study. Meta‐analyses of prevalence were conducted to obtain pooled estimates. Meta‐regression was performed to compare the prevalence between professionals and paraprofessionals.ResultsPrevalence estimates for HHWs were 0.223 for 12 months and 0.302 for over the career for combined violence types, 0.102 and 0.171, respectively, for physical violence, and 0.364 and 0.418, respectively, for nonphysical violence. The prevalence of nonphysical violence was higher than that of physical violence for professionals in 12 months (0.515 vs 0.135) and over the career (0.498 vs 0.224) and for paraprofessionals in 12 months (0.248 vs 0.086) and over the career (0.349 vs 0.113). Professionals reported significantly higher nonphysical violence for 12‐month prevalence than paraprofessionals did (0.515 vs 0.248, P = .015).ConclusionA considerable percentage of HHWs experience type II violence with higher prevalence among professionals. Further studies need to explore factors that can explain the differences in the prevalence between professionals and paraprofessionals. The findings provide support for the need for greater recognition of the violence hazard in the home healthcare workplace.
Ischemic Stroke despite Oral Anticoagulant Therapy in Patients with Atrial Fibrillation
Authors: Seiffge David J. , De Marchis Gian Marco , Koga Masatoshi , Paciaroni Maurizio , Wilson Duncan , Cappellari Manuel , Macha, MD Kosmas , Tsivgoulis Georgios , Ambler Gareth , Arihiro Shoji , Bonati Leo H. , Bonetti Bruno , Kallmünzer Bernd , Muir Keith W. , Bovi Paolo , Gensicke Henrik , Inoue Manabu , Schwab Stefan , Yaghi Shadi , Brown Martin M. , Lyrer Philippe , Takagi Masahito , Acciarrese Monica , Jager Hans Rolf , Polymeris Alexandros A. , Toyoda Kazunori , Venti Michele , Traenka Christopher , Yamagami Hiroshi , Alberti Andrea , Yoshimura Sohei , Caso Valeria , Engelter Stefan T. , Werring David J. ,   the RAF, RAF‐DOAC, CROMIS‐2, SAMURAI, NOACISP, Erlangen, and Verona registry collaborators
Published: February 2020

ObjectiveIt is not known whether patients with atrial fibrillation (AF) with ischemic stroke despite oral anticoagulant therapy are at increased risk for further recurrent strokes or how ongoing secondary prevention should be managed.MethodsWe conducted an individual patient data pooled analysis of 7 prospective cohort studies that recruited patients with AF and recent cerebral ischemia. We compared patients taking oral anticoagulants (vitamin K antagonists [VKA] or direct oral anticoagulants [DOAC]) prior to index event (OACprior) with those without prior oral anticoagulation (OACnaive). We further compared those who changed the type (ie, from VKA or DOAC, vice versa, or DOAC to DOAC) of anticoagulation (OACchanged) with those who continued the same anticoagulation as secondary prevention (OACunchanged). Time to recurrent acute ischemic stroke (AIS) was analyzed using multivariate competing risk Fine–Gray models to calculate hazard ratios (HRs) and 95% confidence intervals (CIs).ResultsWe included 5,413 patients (median age = 78 years [interquartile range (IQR) = 71–84 years]; 5,136 [96.7%] had ischemic stroke as the index event, median National Institutes of Health Stroke Scale on admission = 6 [IQR = 2–12]). The median CHA2DS2‐Vasc score (congestive heart failure, hypertension, age≥ 75 years, diabetes mellitus, stroke/transient ischemic attack, vascular disease, age 65–74 years, sex category) was 5 (IQR = 4–6) and was similar for OACprior (n = 1,195) and OACnaive (n = 4,119, p = 0.103). During 6,128 patient‐years of follow‐up, 289 patients had AIS (4.7% per year, 95% CI = 4.2–5.3%). OACprior was associated with an increased risk of AIS (HR = 1.6, 95% CI = 1.2–2.3, p = 0.005). OACchanged (n = 307) was not associated with decreased risk of AIS (HR = 1.2, 95% CI = 0.7–2.1, p = 0.415) compared with OACunchanged (n = 585).InterpretationPatients with AF who have an ischemic stroke despite previous oral anticoagulation are at a higher risk for recurrent ischemic stroke despite a CHA2DS2‐Vasc score similar to those without prior oral anticoagulation. Better prevention strategies are needed for this high‐risk patient group. ANN NEUROL 2020;87:677–687
Enhanced Propene/Propane Separation by Directional Decoration of the 12‐Membered Rings of Mordenite with ZIF Fragments
Authors: Wu Yaqi , Zeng Shu , Yuan Danhua , Xing Jiacheng , Liu Hanbang , Xu Shutao , Wei Yingxu , Xu Yunpeng , Liu Zhongmin 
Published: February 2020

AbstractPropene/propane separation is challenging due to the very small difference in molecular sizes, boiling points and condensabilities between these molecules. Herein, we report a strategy of introducing ZIF fragments into traditional mordenite (MOR) zeolite to decorate the 12‐membered ring of MOR. After decoration, the originally ineffective zeolite MOR exhibited high kinetic propene/propane selectivities (139 at 25 °C) and achieved efficient propene/propane separation. The propene/propane separation potentials of the resulting adsorbents were further confirmed by breakthrough experiments with equimolar propene/propane (50/50) mixtures.
Tailored Palladium Catalysts for Selective Synthesis of Conjugated Enynes by Monocarbonylation of 1,3‐Diynes
Authors: Liu Jiawang , Yang Ji , Schneider Carolin , Franke Robert , Jackstell Ralf , Beller Matthias 
Published: February 2020

AbstractFor the first time, the monoalkoxycarbonylation of easily available 1,3‐diynes to give synthetically useful conjugated enynes has been realized. Key to success was the design and utilization of the new ligand 2,2′‐bis(tert‐butyl(pyridin‐2‐yl)phosphanyl)‐1,1′‐binaphthalene (Neolephos), which permits the palladium‐catalyzed selective carbonylation under mild conditions, providing a general preparation of functionalized 1,3‐enynes in good‐to‐high yields with excellent chemoselectivities. Synthetic applications that showcase the possibilities of this novel methodology include an efficient one‐pot synthesis of 4‐aryl‐4H‐pyrans as well as the rapid construction of various heterocyclic, bicyclic, and polycyclic compounds.
Dimensional Matching versus Induced‐Fit Distortions: Binding Affinities of Planar and Curved Polyaromatic Hydrocarbons with a Tetragold Metallorectangle
Authors: Ibáñez Susana , Peris Eduardo 
Published: February 2020

AbstractA tetragold(I) rectangle‐like metallocage containing two pyrene‐bis‐imidazolylidene ligands and two carbazolyl‐bis‐alkynyl linkers is used for the encapsulation of a series of polycyclic aromatic hydrocarbons (PAHs), including corannulene. The binding affinities obtained for the encapsulation of the planar PAHs guests in CD2Cl2 are found to exponentially increase with the number of π‐electrons of the guest (1.3 > logK >6.6). For the bowl‐shaped molecule of corannulene, the association constant is much lower than the expected one according to its number of electrons. The molecular structure of the host–guest complex formed with corannulene shows that the molecule of the guest is compressed, while the host is expanded, thus showing an interesting case of artificial mutual induced‐fit arrangement.
A Photochemical Organocatalytic Strategy for the α‐Alkylation of Ketones by using Radicals
Authors: Spinnato Davide , Schweitzer‐Chaput Bertrand , Goti Giulio , Ošeka Maksim , Melchiorre Paolo 
Published: February 2020

AbstractReported herein is a visible‐light‐mediated radical approach to the α‐alkylation of ketones. This method exploits the ability of a nucleophilic organocatalyst to generate radicals upon SN2‐based activation of alkyl halides and blue light irradiation. The resulting open‐shell intermediates are then intercepted by weakly nucleophilic silyl enol ethers, which would be unable to directly attack the alkyl halides through a traditional two‐electron path. The mild reaction conditions allowed functionalization of the α position of ketones with functional groups that are not compatible with classical anionic strategies. In addition, the redox‐neutral nature of this process makes it compatible with a cinchona‐based primary amine catalyst, which was used to develop a rare example of enantioselective organocatalytic radical α‐alkylation of ketones.
Synthesis of α,β‐ and β‐Unsaturated Acids and Hydroxy Acids by Tandem Oxidation, Epoxidation, and Hydrolysis/Hydrogenation of Bioethanol Derivatives
Authors: Santhanaraj Daniel , Ruiz Maria P. , Komarneni Mallik R. , Pham Tu , Li Gengnan , Resasco Daniel E. , Faria Jimmy 
Published: February 2020

AbstractWe report a reaction platform for the synthesis of three different high‐value specialty chemical building blocks starting from bio‐ethanol, which might have an important impact in the implementation of biorefineries. First, oxidative dehydrogenation of ethanol to acetaldehyde generates an aldehyde‐containing stream active for the production of C4 aldehydes via base‐catalyzed aldol‐condensation. Then, the resulting C4 adduct is selectively converted into crotonic acid via catalytic aerobic oxidation (62 % yield). Using a sequential epoxidation and hydrogenation of crotonic acid leads to 29 % yield of β‐hydroxy acid (3‐hydroxybutanoic acid). By controlling the pH of the reaction media, it is possible to hydrolyze the oxirane moiety leading to 21 % yield of α,β‐dihydroxy acid (2,3‐dihydroxybutanoic acid). Crotonic acid, 3‐hydroxybutanoic acid, and 2,3‐dihydroxybutanoic acid are archetypal specialty chemicals used in the synthesis of polyvinyl‐co‐unsaturated acids resins, pharmaceutics, and bio‐degradable/ ‐compatible polymers, respectively.
Shear‐aided high‐throughput electrospinning: A needleless method with enhanced jet formation
Authors: Kara Yahya , He Haijun , Molnár Kolos 
Published: February 2020

AbstractIn this article, we introduce a novel high productivity electrospinning setup for scaling up the classical method. We propose a new spinneret concept, which allows the shearing of the polymer solution prior to electrospinning. Most of the solutions used in electrospinning are shear‐thinning, that is, as they are sheared, they show smaller resistance against the deformations caused by the electrostatic field. Therefore, enhanced Taylor‐cone formation can be achieved, and it also gives a hand in controlling the nanofiber morphology easily, even during operation. In this study, we investigated the influence of shearing on the electrospinning process and the fiber morphology. When shearing was applied by rotation, the operation became more stable and the fiber morphology improved. Multiple jets were observed along the circular edges of the spinneret, also became thinner as an effect of the shearing rotation. The average diameter of the electrospun nanofibers was decreased by 18% with rotation speed applied, compared to those of the nonrotating condition (0 rpm). Besides that, we found that the electrospun nanofiber diameter distribution was significantly different for the various rotation speeds for which we found an applicable explanation with the aid of high‐speed camera recordings.
Explaining Cu@Pt Bimetallic Nanoparticles Activity Based on NO Adsorption
Authors: Viñes Francesc , Görling Andreas 
Published: February 2020

AbstractCu@Pt nanoparticles (NPs) are experimentally regarded as improved catalysts for NOxstorage/reduction, with higher activities and selectivities compared with pure Pt or Cu NPs, and with inverse Pt@Cu NPs. Here, a density functional theory‐based study on such NP models with different sizes and shapes reveals that the observed enhanced stability of Cu@Pt compared with Pt@Cu NPs is due to energetic reasons. On both types of core@shell NPs, charge is transferred from Cu to Pt, strengthening the NP cohesion energy in Pt@Cu NPs, and spreading charge along the surface in Cu@Pt NPs. The negative surface Pt atoms in the latter diminish the NO bonding owing to an energetic rise of the Pt bands, as detected by the appliance of thed‐band model, although other factors, such as atomic low coordination or the presence of an immediate subsurface Pt atom do as well. A charge density difference analysis discloses a donation/back‐donation mechanism in the NO adsorption.
An Alumanylyttrium Complex with an Absorption due to a Transition from the Al−Y Bond to an Unoccupied d‐Orbital
Authors: Sugita Kengo , Yamashita Makoto 
Published: February 2020

AbstractThe reaction between a dialkyl‐substituted alumanyl anion and [Y(CH2SiMe3)2(thf)3][BPh4] resulted in the formation of (dialkylalumanyl)yttrium complex 2, which exhibits the first 2‐center–2‐electron (2 c‐2 e) Al−Y bond. The1H and13C NMR spectra of2together with an X‐ray crystallographic analysis indicated aC2vsymmetrical structure. DFT calculations on2revealed that its LUMO consists of overlapping 3 p‐ and 4 d‐orbitals of the Al and Y atoms, respectively, and that the HOMO–LUMO gap is narrow. The UV/Vis spectrum of2exhibited a visible absorption at 432 nm, which suggests that the strong σ‐donating and π‐accepting character of the three‐coordinate dialkylalumanyl ligand generates a colored d0‐complex that does not contain any π‐electrons.
Efficient Co‐Catalyzed Double Hydroboration of Nitriles: Application to One‐Pot Conversion of Nitriles to Aldimines
Authors: Gudun Kristina A. , Slamova Ainur , Hayrapetyan Davit , Khalimon Andrey Y. 
Published: February 2020

AbstractThe commercially available and bench‐stable Co(acac)2/dpephos system is employed as a precatalyst for selective and efficient room temperature hydroboration of organic nitriles with HBPin to produce a series of N,N‐diborylamines [RN(BPin)2], which react in situ with aldehydes to give aldimines. Formation of aldimines from N,N‐diborylamines does not require a dehydrating agent, is applicable to a wide range of N,N‐diborylamine and aldehyde substrates and is highly chemoselective, being unaffected by various common functional groups, such as alkenes, alkynes, secondary amines, ketones, esters, amides, carboxylic acids, pyridines, nitriles, and nitro compounds. The overall transformation represents a synthetically valuable approach to aldimines from nitriles and can be performed in a sequential one‐pot manner, tolerating ester, lactone, carboxamide and unactivated alkene functionalities.
Modelling the action potential propagation in a heart with structural heterogeneities: From high‐resolution MRI to numerical simulations
Authors: Davidović Anđela , Coudière Yves , Bourgault Yves 
Published: February 2020

AbstractMathematical modelling and numerical simulation in cardiac electrophysiology have already been studied extensively. However, there is a clear lack of techniques and methodologies for studying the propagation of action potential in a heart with structural defects. In this article, we present a modified version of the bidomain model, derived using homogenisation techniques with the assumption of existence of diffusive inclusions in the cardiac tissue. The diffusive inclusions represent regions without electrically active myocytes, for example, fat, fibrosis, and so forth. We present an application of this model to a rat heart. Starting from high‐resolution MRI, the geometry of the heart is built and meshed using image processing techniques. We perform a study of the effects of tissue heterogeneities induced by diffusive inclusions on the velocity and shape of the depolarisation wavefront. We present several test cases with different geometries of diffusive inclusions. We reach the conclusion that the conduction velocity is not affected in the best cases, while it is affected by up to 76% in the worst case scenario. Additionally, the shape of the wavefront was affected in some cases.
Preparation of Triple‐Responsive Porous Silica Carriers and Carbon Quantum Dots for Photodynamic‐/Chemotherapy and Multicolor Cell Imaging
Authors: Chen Yunyun , Li Xinli , Zhao Yanbao , Zhang Xu , Sun Lei 
Published: February 2020

AbstractPhotosensitive carbon quantum dots (CQDs) provide a new route to treat cancer owing to their ability to produce singlet oxygen. In this paper, pH/redox/enzyme‐responsive porous silica‐based carriers with CQDs were constructed for photodynamic‐chemical combination therapy. The porous silica (pSiO2) sample comprises uniform spheres with center‐radial channels, which is favorable for drug loading and delivery. CQDs with a size of 2.5 nm were synthesized and have the excellent ability to generate singlet oxygen. After loading CQDs and drug molecules, the channels of pSiO2 carrier were blocked with hyaluronic acid (HA)/chitosan (CHI) layer. The disulfide bonds, conjugating HA to the surface of pSiO2 carrier, would achieve redox‐responsive drug release, while breaking disulfide bonds and the HA/CHI layer could endow the pSiO2 carrier enzyme/pH‐responsive drug release. The prepared pSiO2 carriers display low cytotoxicity and good biocompatibility for multicolor imaging and photodynamic‐/chemotherapy.