bluuebunny/crossref_metadata_2025_split huggingface dataset:
Radical C−H Bond Trifluoromethylation of Alkenes by High‐Valent Copper(III) Trifluoromethyl Compounds
Authors: Zhang Hao‐Ran , Xiao Chang , Zhang Song‐Lin , Zhang Xiaoming 
Published: October 2019

AbstractA general and selective method is developed that allows direct vinylic C−H bond trifluoromethylation of 1,1‐diarylalkenes by a high‐valent copper(III) trifluoromethyl complex, producing biologically active trifluoromethylated alkenes (as well as trifluoromethylated carbocyclic compounds). This fundamental reactivity of Cu(III)−CF3 compounds has thus far been unknown. The presence of a tertiary amine is crucial to this reaction, acting as both a weak base and a single electron transfer (SET) promoter to abstract the vinylic hydrogen. This method starts from bulk olefins under cost‐effective conditions (without the need for external noble metal photocatalyst or stoichiometric amounts of oxidant), and thus is valuable for practical and sustainable applications.magnified image
Modulating Myeloid Immune Cell Migration Using Multivalently Presented Monosaccharide Ligands for Advanced Immunotherapy
Authors: Tavernaro Isabella , Rodrigo Alberto Marti , Kandziora Maja , Kuntz Sabine , Dernedde Jens , Trautwein Christian , Tacke Frank , Blas‐Garcia Ana , Bartneck Matthias 
Published: October 2019

AbstractDue to their importance for the outcome of the inflammatory response, the motile myeloid cells are a focus of novel treatment options. The interplay of selectins and their ligands with leukocytes and endothelial cells, which mediate endothelial attachment and transmigration of immune cells, can be modulated by selectin‐binding structures. Here, a library of selectin‐targeting ligands coupled to either gold, silver, iron oxide nanospheres, or quantum dots of 5–10 nm in size is used to systematically study their impact on immune cell motility. The multivalent presentation of the carbohydrate mimetics results in very low sub‐nanomolar binding to L‐selectin. Using human primary monocytes, granulocytes, lymphocytes, and macrophages, it is shown that the ligands exhibit only minor effects on uptake, whereas the motility of leukocytes is critically affected as observed in migration assays evaluated by flow cytometry. The carbohydrate mimetic ring structure, sulfation, in particular, and the degree of ligand presentation, are constituents which cohere in this process. Specific carbohydrate ligands can thus selectively regulate leukocyte subsets. These data form the basis for advanced immunotherapy which inhibits the amplification of inflammation by restricting leukocyte influx to injured tissue sites. Furthermore, the targeting ligands may complement existing treatment options for inflammatory diseases.
Tuning Surface Structure of Pd3Pb/PtnPb Nanocrystals for Boosting the Methanol Oxidation Reaction
Authors: Wu Xingqiao , Jiang Yi , Yan Yucong , Li Xiao , Luo Sai , Huang Jingbo , Li Junjie , Shen Rong , Yang Deren , Zhang Hui 
Published: October 2019

AbstractDeveloping an efficient Pt‐based electrocatalyst with well‐defined structures for the methanol oxidation reaction (MOR) is critical, however, still remains a challenge. Here, a one‐pot approach is reported for the synthesis of Pd3Pb/PtnPb nanocubes with tunable Pt composition varying from 3.50 to 2.37 and 2.07, serving as electrocatalysts toward MOR. Their MOR activities increase in a sequence of Pd3Pb/Pt3.50Pb << Pd3Pb/Pt2.07Pb < Pd3Pb/Pt2.37Pb, which are substantially higher than that of commercial Pt/C. Specifically, Pd3Pb/Pt2.37Pb electrocatalysts achieve the highest specific (13.68 mA cm−2) and mass (8.40 A mgPt−1) activities, which are ≈8.8 and 6.8 times higher than those of commercial Pt/C, respectively. Structure characterizations show that Pd3Pb/Pt2.37Pb and Pd3Pb/Pt2.07Pb are dominated by hexagonal‐structured PtPb intermetallic phase on the surface, while the surface of Pd3Pb/Pt3.50Pb is mainly composed of face‐centered cubic (fcc)‐structured PtxPb phase. As such, hexagonal‐structured PtPb phase is much more active than the fcc‐structured PtxPb one toward MOR. This demonstration is supported by density functional theory calculations, where the hexagonal‐structured PtPb phase shows the lowest adsorption energy of CO. The decrease in CO adsorption energy and structural stability also endows Pd3Pb/PtnPb electrocatalysts with superior durability relative to commercial Pt/C.
Wide Potential Window Supercapacitors Using Open‐Shell Donor–Acceptor Conjugated Polymers with Stable N‐Doped States
Authors: Wang Kaiping , Huang Lifeng , Eedugurala Naresh , Zhang Song , Sabuj Md Abdus , Rai Neeraj , Gu Xiaodan , Azoulay Jason D. , Ng Tse Nga 
Published: October 2019

AbstractSupercapacitors have emerged as an important energy storage technology offering rapid power delivery, fast charging, and long cycle lifetimes. While extending the operational voltage is improving the overall energy and power densities, progress remains hindered by a lack of stable n‐type redox‐active materials. Here, a new Faradaic electrode material comprised of a narrow bandgap donor−acceptor conjugated polymer is demonstrated, which exhibits an open‐shell ground state, intrinsic electrical conductivity, and enhanced charge delocalization in the reduced state. These attributes afford very stable anodes with a coulombic efficiency of 99.6% and that retain 90% capacitance after 2000 charge–discharge cycles, exceeding other n‐dopable organic materials. Redox cycling processes are monitored in situ by optoelectronic measurements to separate chemical versus physical degradation mechanisms. Asymmetric supercapacitors fabricated using this polymer with p‐type PEDOT:PSS operate within a 3 V potential window, with a best‐in‐class energy density of 30.4 Wh kg−1 at a 1 A g−1 discharge rate, a power density of 14.4 kW kg−1 at a 10 A g−1 discharge rate, and a long cycle life critical to energy storage and management. This work demonstrates the application of a new class of stable and tunable redox‐active material for sustainable energy technologies.
C−H Functionalization of Indoles by 3d Transition‐Metal Catalysis
Authors: Jagtap Rahul A. , Punji Benudhar 
Published: October 2019

AbstractOver the past decade, the use of 3d transition metal for the regioselective C−H bond functionalization of indoles has significantly increased. Particularly, advances in manganese, iron, cobalt, nickel and copper catalysis have demonstrated the selective C(2)−H and C(3)−H arylation, alkenylation, alkynylation and alkylation to a greater extent. Similarly, the C−O and C−N bond‐forming reactions are manifested via direct C−H bond activation by these earth‐abundant metals. The emergence of 3d metals in selective functionalization of the biologically relevant indoles and related heteroarenes would make this protocol more attractive for practical applications. Herein, we provide a brief overview of 3d transition metal‐catalyzed (mostly Mn, Fe, Co, Ni and Cu) C−H functionalization of indoles and related heteroarenes.
Association of air pollutants, airborne occupational exposures, and chronic rhinosinusitis disease severity
Authors: Velasquez Nathalia , Moore John A. , Boudreau Robert M. , Mady Leila J. , Lee Stella E. 
Published: October 2019

BackgroundPrevious work has shown that chronic rhinosinusitis (CRS) severity may be associated with particulate matter 2.5 (PM2.5) and black carbon (BC) in CRS patients without nasal polyps (CRSsNP). Data regarding occupational exposures, however, are lacking. We assessed the impact of PM2.5, BC, as well as occupational airborne exposure on CRS disease severity.MethodsPatients with CRS with nasal polyps (CRSwNP), CRSsNP, and aspirin‐exacerbated respiratory disease (AERD) were identified from an institutionwide database. Spatial modeling from 37 pollutant monitoring sites in Allegheny County was used to estimate exposures. Patient occupations using the 2010 Standard Occupation Classification (SOC10) and airborne occupation exposures to vapors, gases, dusts, fumes, fibers and mists (VGDFFiM) or diesel fumes were recorded. Disease severity was measured by modified Lund‐Mackay score (LMS), systemic corticosteroid therapy, and incidence of functional endoscopic sinus surgery (FESS).ResultsTwo hundred thirty‐four patients were included (CRSwNP, n = 113; CRSsNP, n = 96; AERD, n = 25). The prevalence of AERD among those with CRSwNP was 18%. Patients exposed to VGDFFiM or diesel fumes required higher steroid doses vs nonexposed patients (p = 0.015 and p = 0.03, respectively); patients with VGDFFiM levels >5% were more likely to undergo FESS vs nonexposed patients (p = 0.0378). There was no difference in PM2.5 and BC with regard to disease severity and FESS between CRSwNP, CRSsNP, and AERD patients. Steroid use was significantly higher in CRSwNP and AERD vs CRSsNP (p = 0.001). LMS was significantly higher in AERD as compared with CRSwNP and CRSsNP (p = 0.001).ConclusionOccupational airborne exposure to VGDFFiM correlated with increased prevalence of FESS and need for corticosteroids in CRS patients. There was no difference in PM2.5 and BC levels and disease severity outcome measures between CRS subtypes in this subset.
Preparation and characterization of nano‐Co‐[4‐chlorophenyl‐salicylaldimine‐methyl pyranopyrazole]Cl2 as a new Schiff base complex and catalyst for the solvent‐free synthesis of 1‐amidoalkyl‐2‐naphthols
Authors: Moosavi‐Zare Ahmad Reza , Goudarziafshar Hamid , Nooraei Fatemeh 
Published: October 2019

AbstractBy the reaction of 4‐chlorobenzaldehyde with ethyl acetoacetate, malononitrile, and hydrazine hydrate, 6‐amino‐4‐(4‐chlorophenyl)‐3‐methyl‐2,4‐dihydropyrano[2,3‐c]pyrazole‐5‐carbonitrile was prepared and then reacted with salicylaldehyde and CoCl2·6H2O to produce nano‐Co‐[4‐cholorophenyl‐salicylaldimine‐methylpyranopyrazole]Cl2 (nano‐[Co‐4CSMP]Cl2). The prepared nano‐Schiff base complex was reported for the first time and fully characterized by Fourier transform‐infrared spectroscopy, thermal gravimetric analysis, differential thermal gravimetric analysis, scanning electron microscopy, energy‐dispersive X‐ray spectroscopy, transmission electron microscopy, and Brunner–Emmett–Teller analyses and applied as an efficient catalyst for the synthesis of some 1‐amidoalkyl‐2‐naphthol derivatives.
Assessment of the Environmental and Physical Ergonomic Conditions of ORs in Turkey
Authors: Yasak Kübra , Vural Fatma 
Published: October 2019

ABSTRACTThis descriptive, cross‐sectional study in hospital ORs in İzmir, Turkey, assessed the environmental and physical ergonomic conditions that may place perioperative personnel at risk for injury or illness. We used an ergonomic conditions and risk factor description form to collect data in 58 ORs in nine different hospitals. We identified that the noise level and general air quality in the ORs were within recommended levels. However, none of the ORs had a surgical smoke evacuation system, pressure‐absorbing mats, or special equipment to facilitate patient moving and lifting. Approximately 70% of the ORs had high stools to provide short periods of rest for the surgical personnel. In addition, perioperative personnel did not wear protection to prevent intraoperative radiation exposure. These results indicate that although some environmental factors were within acceptable limits, other physical ergonomic risks were not adequately addressed, thereby placing perioperative staff members at risk for health concerns.
8‐Aminoquinoline‐Assisted Synthesis and Crystal Structure Studies of Ferrocenyl Aryl Sulfones
Authors: Sattar Moh. , Kumar Nitin , Yadav Prateek , Mandhar Yogesh , Kumar Sangit 
Published: October 2019

AbstractA copper‐catalyzed 8‐aminoquinoline‐directed oxidative cross‐coupling of the C−H bond of ferrocene with sodium arylsulfinates has been achieved. The robust copper catalyst tolerates a range of methyl,tert‐butyl, bromo, chloro, iodo and nitro functional groups in the phenyl ring, and set the stage for the synthesis of substituted ferrocene sulfones. Furthermore, X‐ray crystal structure study on several ferrocenyl sulfones reveals the tetrahedral geometry around sulfur; interestingly, the O‐S‐O angle is larger than the electropositive substituent C‐S‐C angle which could be explained by Bent's rule. Further, unusual intramolecular O(S)⋅⋅⋅N(amide) short contacts (2.925–3) and O(S)⋅⋅⋅C=O were also noticed in ferrocenyl sulfones.
On the use of comparison regions in visualizing stochastic uncertainty in some two‐parameter estimation problems
Authors: Eckert Maren , Vach Werner 
Published: October 2019

AbstractWhen considering simultaneous inference for two parameters, it is very common to visualize stochastic uncertainty by plotting two‐dimensional confidence regions. This allows us to test post hoc null hypotheses about a single point in a simple manner. However, in some applications the interest is not in rejecting hypotheses on single points, but in demonstrating evidence for the two parameters to be in a convex subset of the parameter space. The specific convex subset to be considered may vary from one post hoc analysis to another. Then it is of interest to have a visualization allowing to perform corresponding analyses. We suggest comparison regions as a simple tool for this task.
Lyso‐diacylglyceryltrimethylhomoserine (lyso‐DGTS) isolated from Nannochloropsis microalgae improves high‐density lipoprotein (HDL) functions
Authors: Khattib Ali , Atrahimovich Dana , Dahli Loureen , Vaya Jacob , Khatib Soliman 
Published: October 2019

AbstractMany population studies have shown that blood concentrations of high‐density lipoprotein (HDL) cholesterol are inversely correlated with risk of cardiovascular disease (CVD). However, in recent studies, increasing blood HDL cholesterol concentrations failed to reduce CVD events. On the other hand, studies suggest that improving HDL quality can be a more efficient tool for assessing atherosclerotic risk than simply measuring blood HDL cholesterol concentration. Thus, improving HDL activity using natural substances might be a useful therapeutic approach to reducing CVD risk. We previously isolated a novel active compound from Nannochloropsis microalgae termed lyso‐diacylglyceryltrimethylhomoserine (lyso‐DGTS), which increased activity of paraoxonase 1, the main antioxidant enzyme associated with HDL. Here we examined the effect of lyso‐DGTS on HDL quality and function. Tryptophan‐fluorescence‐quenching assay showed that lyso‐DGTS interacts spontaneously with the entire HDL lipoprotein and with apolipoprotein A1 (ApoA1), the major structural and functional HDL protein, with high affinity (Ka = 2.17 × 104 M−1 at 37°C). Lyso‐DGTS added to HDL and to ApoA1 increased cholesterol efflux from macrophage cells, the main antiatherogenic function of HDL, dose‐dependently, and significantly increased HDL's ability to induce nitric oxide production from endothelial cells. In‐vivo supplementation of lyso‐DGTS to the circulation of mice fed a high‐fat diet via osmotic mini‐pumps implanted subcutaneously enhanced HDL anti‐inflammatory effect significantly as compared to controls. Our findings suggest that lyso‐DGTS may have a beneficial effect in decreasing atherosclerosis risk by interacting with HDL particles and improving their quality and antiatherogenic functions.
Axillary evaluation is not warranted in patients preoperatively diagnosed with ductal carcinoma in situ by core needle biopsy
Authors: Si Jing , Guo Rong , Huang Naisi , Xiu Bingqiu , Zhang Qi , Chi Weiru , Wu Jiong 
Published: October 2019

AbstractBackgroundPatients diagnosed with ductal carcinoma in situ (DCIS) by core needle biopsy (CNB) have a great chance of upstaging to invasive cancer. Positive axillary status can be found in these patients. This study sought to identify clinicopathological factors associated with upstaging and axillary metastasis in patients preoperatively diagnosed with DCIS by CNB.Materials and MethodsThis study identified 604 patients (cT1‐3N0M0) with preoperative diagnosis of pure DCIS by CNB who had undergone axillary evaluation from August 2006 to December 2015 at Fudan University Shanghai Cancer Center (FUSCC). Predictors of upstaging and axillary lymph nodes metastasis were analyzed, respectively.ResultsOf all 604 patients, 121 (20.03%) and 193 (31.95%) patients were upstaged to DCIS with microinvasion (DCISM) and invasive breast cancer (IBC). Positive axillary lymph nodes were identified in 41 (6.79%) patients. Predictors of upstaging included tumor size on ultrasonography (>2 cm) (OR 1.786, P = .002) and ER+HER2+ status (OR 1.874, P = .022) in multivariate analysis. Factors associated with axillary lymph nodes metastasis included tumor size on pathology (OR 2.336, P = .038) and number of lesions (OR 3.354, P = .039) in multivariate analysis. In addition, upstaging on final pathology had a significant influence on axillary lymph nodes status (P < .001).ConclusionAxillary evaluation was recommended in patients with larger tumor size (>2 cm), multifocal lesions or ER+HER2+ status. Despite of a 51.98% upstaging rate, the rate of axillary metastasis in these patients was relatively low, supporting the omission of axillary evaluation in selected patients with low risk of upstaging or axillary metastasis.
Tuning Light‐Driven Water Splitting Efficiency of Mo‐Doped BiVO4: Optimised Preparation and Impact of Oxygen Evolution Electrocatalysts
Authors: Junqueira João R. C. , Bobrowski Tim , Krysiak Olga A. , Gutkowski Ramona , Schuhmann Wolfgang 
Published: October 2019

AbstractWe present airbrush spray‐coating as a reproducible method for the preparation of Mo‐doped BiVO4 (Mo : BiVO4) as photoabsorber with different layer thicknesses and Mo content. Optimisation of layer thickness is aiming on diminishing limitations by the electronic conductivity within the photoabsorber, thus increasing the incident photon to current efficiency (IPCE) of the samples. Furthermore, the Mo to V ratio leading to the highest photocurrent density was determined, and the optimised Mo : BiVO4 samples were decorated with a variety of oxygen evolution reaction (OER) electrocatalysts such as cobalt phosphate and layered double hydroxides. A mass loading gradient of Ni−Fe LDH was sprayed on top of the Mo : BiVO4 photoanode for optimisation of the OER catalyst loading. The photocurrent density was enhanced by up to 5.8 times at 0.8 V vs. RHE in comparison with the pristine Mo : BiVO4 sample in absence of any OER electrocatalyst.
New protocols of cognitive data management and sharing in cloud computing
Authors: Ogiela Lidia , Takizawa Makoto 
Published: October 2019

SummaryIn this paper, we shall discuss new classes of cognitive systems dedicated the tasks of dividing and managing shared information not only in simple horizontal structures but also primarily in vertical structures. An example of such a structure is a computer cloud where, from various levels of access to information, one can execute the management process, both with respect to the entire information resources, as well as to individual pieces of data, including shared information. A special type of information is a service, which, similar to various types of data, is subject to the concealment process. In this work, we shall present universal algorithms for shared data management, such that can be used in concealment protocols both for data and services. Due to the above, this paper will treat the term “service” as a special type of data, constituting the basis of their sharing and management processes. Moreover, we shall determine the impact of the proposed algorithms on the enhancement of data/service management processes in Cloud Computing as well as the impact of the service management and data sharing processes in Could Computing on decision‐taking processes in systems supporting the management processes.
Connecting earnings management and corporate social responsibility: A renewed perspective
Authors: Maglio Roberto , Rey Andrea , Agliata Francesco , Lombardi Rosa 
Published: October 2019

AbstractThis paper aims at discovering the association between earnings management (EM) and gender diversity in boards of directors as a predictor of the corporate social performance (CSP) of non‐smallmedium‐sized enterprises in the context of corporate social responsibility (CSR). The existence of a broad literature on the topic allows us to assess EM and its relations with CSR. We used an OLS regression analysis and the accrual quality measure as an EM proxy to investigate our sample of 697 Italian non‐small and medium‐sized enterprises. Our main results reveal that the presence of women on boards of directors results in the adoption of fewer EM practices. Therefore, our empirical findings support the notion that boardroom gender diversity as an instrument of CSP reduces the use of EM practices. The results of this paper are of most relevance to policymakers and academic communities focused on promoting CSP and CSR.
What companies do not disclose about their environmental policy and what institutional pressures may do to respect
Authors: Cubilla‐Montilla Mitzi Isabel , Galindo‐Villardón Purificación , Nieto‐Librero Ana Belén , Vicente Galindo María Purificación , García‐Sánchez Isabel María 
Published: October 2019

AbstractThe information contained in corporate social responsibility (CSR) reports is a controversial issue, and it has generated an important debate among academics regarding company disclosure strategies. Environmental matters are especially relevant given their impact on sustainable development. The present study has two objectives. The first is to determine which Global Reporting Initiative (GRI) environmental indicators are reported less frequently. The second is to predict the evolution of these indicators in light of the institutional pressures that companies try to resist. Specifically, the study of the environmental dimension of the GRI focusses on an analysis of the following: materials, energy, water, biodiversity, emissions, effluents and waste, products and services, compliance, transport, environmental assessment, and environmental grievance mechanisms. A content analysis of CSR reports from some of the world's largest companies reveals that the indicators least disclosed by companies relate to the environmental aspects of biodiversity. The dissemination of environmental indicators is influenced by normative, mimetic, and (to a lesser extent) coercive pressures. In addition, we observe that mimetic institutional pressures under a national and industrial vision influence the dissemination of environmental information. In terms of cultural dimensions, companies located in long‐term, feminine, and collectivist countries tend to disseminate environmental information accordingly.
1D WO3 Nanorods/2D WO3−x Nanoflakes Homojunction Structure for Enhanced Charge Separation and Transfer towards Efficient Photoelectrochemical Performance
Authors: Li Yanting , Liu Zhifeng , Ruan Mengnan , Guo Zhengang , Li Xifei 
Published: October 2019

AbstractDesigning and fabricating photoelectrodes with low carrier recombination, high carrier transfer, and high light‐capture capability is of great significance for achieving effective photoelectrochemical (PEC) water splitting. Herein, for the first time, 2D nonstoichiometric WO3−x nanoflakes (NFs) were vertically grown by hydrothermal synthesis on 1D WO3 nanorods (NRs) obtained by a hydrothermal method and high‐temperature annealing (HTA). In this 1D HTA‐WO3/2D WO3−x photoanode, the 2D WO3−x NFs with active areas could maximize light harvesting, and the unique 1D/2D homojunction structure could improve the carrier‐separation efficiency. At the same time, the 1D WO3 NRs with high aspect ratio were more beneficial to charge transfer after HTA. As expected, the 1D HTA‐WO3/2D WO3−x photoanode yielded an enhanced photocurrent density of 0.98 mA cm−2 at 1.23 V versus reversible hydrogen electrode, which is approximately 3.16 times that of pristine WO3. The improvement could be attributed to the synergistic effect of HTA and the homojunction structure in the 1D HTA‐WO3/2D WO3−x photoanode, which could effectively improve carrier separation and transfer. Furthermore, this work may provide a promising strategy for the design and fabrication of semiconductor‐based photoelectrodes.