bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Cationic Phosphapyramidane
Authors: Lee Vladimir Ya. , Sugasawa Haruka , Gapurenko Olga A. , Minyaev Ruslan M. , Minkin Vladimir I. , Gornitzka Heinz , Sekiguchi Akira 
Published: October 2016

AbstractPyramidanes C[C4R4] constitute a novel class of highly strained and reactive polyhedral clusters that attracted a great deal of attention of both theoreticians and experimentalists. Although well‐studied from the theoretical viewpoint, pyramidanes were synthetically inaccessible, and only very recently their very first isolable representatives have been described. In this Communication, we report on the synthesis and structural studies of the cationic pyramidane with the Group 15 element at the apex, namely, phosphapyramidane, an isoelectronic analogue of the neutral pyramidanes of the Group 14 elements.
Continuous Flow Homolytic Aromatic Substitution with Electrophilic Radicals: A Fast and Scalable Protocol for Trifluoromethylation
Authors: Monteiro Júlia L. , Carneiro Paula F. , Elsner Petteri , Roberge Dominique M. , Wuts Peter G. M. , Kurjan Katherine C. , Gutmann Bernhard , Kappe C. Oliver 
Published: October 2016

AbstractWe report an operationally simple and rapid continuous flow radical C−C bond formation under Minisci‐type reaction conditions. The transformations are performed at or below room temperature employing hydrogen peroxide (H2O2) and dimethylsulfoxide (DMSO) as reagents in the presence of an FeII catalyst. For electron‐rich aromatic and heteroaromatic substrates, C−C bond formation proceeds satisfactorily with electrophilic radicals including .CF3, .C4F9, .CH2CN, and .CH2CO2Et. In contrast, electron‐poor substrates exhibit minimal reactivity. Importantly, trifluoromethylations and nonafluororobutylations using CF3I and C4F9I as reagents proceed exceedingly fast with high conversion for selected substrates in residence times of a few seconds. The attractive features of the present process are the low cost of the reagents and the extraordinarily high reaction rates. The direct application of the protocol to dihydroergotamine, a complex ergot alkaloid, yielded the corresponding trifluoromethyl ergoline derivative within 12 seconds in a continuous flow microreactor on a 0.6 kg scale. The trifluoromethyl derivative of dihydroergotamine is a promising therapeutic agent for the treatment of migraines.
Catalytic Enantioselective Aza‐Reformatsky Reaction with Cyclic Imines
Authors: De Munck Lode , Vila Carlos , Muñoz M. Carmen , Pedro José R. 
Published: October 2016

AbstractA catalytic highly enantioselective aza‐Reformatsky reaction with cyclic aldimines and ketimines for the synthesis of chiral β‐amino esters with good yields and excellent enantioselectivities is reported. A readily available diaryl prolinol is used as a chiral ligand, ZnMe2 as a zinc source and ethyl iodoacetate as reagent in the presence of air atmosphere. The reaction with cyclic ketimines generates a quaternary stereocenter with excellent levels of enantioselectivity. Furthermore, five‐membered N‐sulfonyl ketimines were used as electrophiles with good enantiomeric excesses, under the optimized reaction conditions. Moreover, several chemical transformations were performed with the chiral β‐amino esters.
KOH‐Activated Porous Carbons Derived from Chestnut Shell with Superior Capacitive Performance
Authors: Jiang Man , Zhang Jingli , Xing Lingbao , Zhou Jin , Cui Hongyou , Si Weijiang , Zhuo Shuping 
Published: October 2016

AbstractPorous carbons (PC) were prepared from a waste biomass named chestnut shell via a two‐step method involving carbonization and KOH activation. The morphology, pore structure and surface chemical properties were investigated by scanning electron microscopy (SEM), N2 sorption, Raman spectroscopy, X‐ray diffraction (XRD) and X‐ray photoelectron spectroscopy (XPS). The carbons have been evaluated as the electrode materials for supercapacitors by a two‐electrode system in 6 mol/L KOH electrolyte. Benefiting from the porous texture, high surface area and high oxygen content, the PCs derived from chestnut shell have exhibited high specific capacitance of 198.2 (PC‐1), 217.2 (PC‐2) and 238.2 F·g−1 (PC‐3) at a current density of 0.1 A·g−1, good rate capability of 55.7%, 56.6% and 54.9% in a range of 0.1–20 A·g−1 and high energy density of 5.6, 6.1 and 6.7 Wh·kg−1, respectively. This is believed to be due to electric double layer capacitance induced by the abundant micropores and extra pseudo‐capacitance generated by oxygen‐containing groups. At a power density of 9000 Wh·kg−1, the energy density is 3.1, 3.5 and 3.7 Wh·kg−1 for PC‐1, PC‐2 and PC‐3, respectively, demonstrating the potential of the carbons derived from chestnut shells in energy storage devices.
Anthracene Modified by Aldehyde Groups Exhibiting Aggregation‐Induced Emission Properties
Authors: Peng Zhe , Wang Zhi , Tong Bin , Ji Yingchun , Shi Jianbing , Zhi Junge , Dong Yuping 
Published: October 2016

AbstractIn order to get an easy way to achieve the transformation from aggregation‐caused quenching luminophores (ACQphores) to aggregation‐induced emission luminogens (AIEgens), we took aldehyde groups as the modifying group to decorate anthracene. The fluorescence performances of 9‐anthraldehyde (AnA) and 9,10‐anthracenedicarboxaldehyde (AnDA) in solution and aggregated state were studied. We found out that the aldehyde group can transform anthracene with aggregation‐caused quenching properties to AIEgen. The single‐crystal structures analysis of AnA and AnDA showed that their structure characteristics are responsible for the AIE properties of AnA and AnDA. On one hand, the aldehyde group can cause steric effects to lower intermolecular π‐π packing style in aggregated state. On the other hand, intermolecular H‐bonding interactions can restrict the intramolecular rotation and suppress internal charge transfer. These results may supply a new simple method for the transformation from ACQphores to AIEgens on the point of the molecular design.
Preparation of FePd‐RGO Bimetallic Composites with High Catalytic Activity for Formic Acid Electro‐Oxidation
Authors: Li Nanting 
Published: October 2016

AbstractFePd‐RGO composites through the growth of uniformly dispersed iron‐palladium bimetallic nanoparticles (NPs) on reduced graphene oxide (RGO) nanosheets were prepared by a two‐step method. The firstly formed Fe is used as the seed for the subsequent Pd growth. The formation of Fe NPs on RGO in the first step is performed by an in‐situ reduction reaction with the reducer ethylene glycol under oil bath at 180°C. NPs in the as‐prepared FePd‐RGO have an average particle size of 6.5 nm, and Pd is added to one side of Fe which leads to the formation of Fe‐Pd bimetallic interfaces. As compared with the commercial Pd black at the same loading, the composites have higher electro‐catalytic activity, better electrochemical stability and higher resistance to CO poisoning for formic acid electro‐oxidation.
Design, Synthesis, and Insecticidal Activities of Novel Pyranoside Derivatives Targeting at Potential Second Calcium Channel IP3 Receptor
Authors: Wu Changchun , Li Yuxin , Liu Ming , Liu Jingbo , Hua Xuewen , Zhang Dongkai , Xiong Lixia , Yang Na , Wang Baolei , Li Zhengming 
Published: October 2016

AbstractIn order to search for potent and environmental friendly insecticides with new modes of action, a series of pyranoside derivatives mimicking D‐myo‐inositol 1,4,5‐trisphosphate (IP3) were designed and synthesized according to the bioisosteric approach. The biological assay indicated that most of the new compounds showed moderate to good insecticidal activities against oriental armyworm (Mythimna separata) and diamondback moth (Plutella xylostella). Especially, compound 5g displayed 80% larvicidal activity against oriental armyworm at 50 mg/L. Meanwhile, 5a showed 100% and 70% larvicidal activities against diamondback moth at 50 and 25 mg/L, respectively. To further explore the mode of action, calcium imaging technique was applied to study the effects of 5a, 5g, and 5i on the intracellular calcium ion concentration ([Ca2+]i) in central neurons isolated from Spodoptera exigua. The results indicated that the tested compounds released stored calcium ions from endoplasmic reticulum.
Linear Inviscid Damping for a Class of Monotone Shear Flow in Sobolev Spaces
Authors: Wei Dongyi , Zhang Zhifei , Zhao Weiren 
Published: October 2016

AbstractIn this paper, we prove the decay estimates of the velocity andH1scattering for the two‐dimensional linearized Euler equations around a class of monotone shear flow in a finite channel. Our result is consistent with the decay rate predicted by Case in 1960. © 2016 Wiley Periodicals, Inc.
Porphyrin‐Sensitized Evolution of Hydrogen using Dawson and Keplerate Polyoxometalate Photocatalysts
Authors: Panagiotopoulos Athanassios , Douvas Antonios M. , Argitis Panagiotis , Coutsolelos Athanassios G. 
Published: October 2016

AbstractHydrogen evolution using photocatalytic systems based on artificial photosynthesis is a major approach toward solar energy conversion and storage. In the polyoxometalate‐based photocatalytic systems proposed in the past, middle/near UV light irradiation and noble‐metal catalysts were mainly used. Although recently polyoxometalates were sensitized in visible light, photosensitizers or catalysts based on noble metals, and/or poor activity of polyoxometalates were generally obtained. Here we show the highly efficient [turnover number (TON)=215] hydrogen evolution induced by the zinc(II) mesotetrakis(N‐methyl‐pyridinium‐4‐yl)porphyrin (ZnTMPyP4+) sensitization of a series of polyoxometalate catalysts (two Dawson type, P2Mo18O626− and P2W18O626− anions, and one Keplerate {Mo132} cluster) in a visible‐light‐driven, noble‐metal‐free, and fully water‐soluble system. We attributed the high efficiency for hydrogen evolution to the multi‐electron reduction of polyoxometalates and found that: (a) both Dawson polyoxometalates exhibit higher hydrogen evolution efficiency upon ZnTMPyP4+ sensitization in relation to the direct photoreduction of those compounds; (b) the P2Mo18O626− anion is more efficient (TON=65 vs. 38, respectively) for hydrogen evolution than the P2W18O626− anion; and (c) the high nuclearity Keplerate {Mo132} cluster exhibits the highest efficiency (TON=215) for hydrogen evolution compared with the polyoxometalates studied.
Semiconductor‐Based, Solar‐Driven Photochemical Cells for Fuel Generation from Carbon Dioxide in Aqueous Solutions
Authors: Yehezkeli Omer , Bedford Nicholas M. , Park Eunsol , Ma Ke , Cha Jennifer N. 
Published: October 2016

AbstractThere has been active interest to identify new methods to reduce CO2 into usable fuel sources. In this work, we demonstrate two types of photo‐electrochemical cells (PECs) that photoreduce CO2 directly to formate in aqueous solutions both in the presence and absence of external bias or additional electron sources. The photocathodes were either a CuFeO2/CuO electrode or a bilayer of CdTe on NiO, whereas the photoanode was a bilayer of NiOx on CdS. The PECs were characterized by using both electrochemistry and spectroscopy, and the products formed from CO2 reduction were characterized and quantified by using 1H NMR spectroscopy and ESI‐MS. In addition, an organohydride catalyst was tested in conjunction with the PECs, which not only showed a significant gain of 85 times in CO2 reduction (27 μm formate without the catalyst, 2.3 mm formate with it) compared to the NiO/CdTe photocathode system but could also generate methanol under an external bias (10 μm).
Prevalence of human papillomavirus, Epstein‐Barr virus, and cytomegalovirus in fine needle aspirates from lung carcinoma: A case–control study with review of literature
Authors: Gupta Parikshaa , Haldar Dipanjan , Naru Jasmine , Dey Pranab , Aggarwal Ashutosh Nath , Minz Ranjana Walker , Aggarwal Ritu 
Published: October 2016

BackgroundOncogenic viruses have recently been allied with lung carcinoma, however, the causal association has not been established till date. The study was conducted to determine the prevalence of high‐risk Human papillomavirus (HPV; subtypes 16, 18, 31, 33 and 45), Epstein‐Barr virus (EBV) and cytomegalovirus (CMV) in lung carcinoma using polymerase chain reaction (PCR) on fine needle aspirates.MethodsFine needle aspirates of patients with lung carcinoma were included as cases. The control samples included normal lung tissue, collected at the time of medico legal autopsies. DNA was extracted from samples of both cases and controls and analysed by PCR for the presence of HPV, EBV and CMV.ResultsA total of 5/73 (6.8%) cases demonstrated the presence of HPV. Of these, 3 were positive for HPV‐16 and one each for HPV‐18 and HPV‐45. A significant association of HPV with squamous cell carcinoma (SCC) (P = 0.01) was observed. Two cases were positive for EBV; however, the difference was not statistically significant for EBV (P = 0.5) as well as CMV. None of the controls were positive for HPV, EBV or CMV.ConclusionWe conclude that fine needle aspirates can serve as reliable sample for PCR based detection of viruses. A significantly higher prevalence of HPV in lung cancer and a significant association with SCC was observed, thereby, indicating a positive link between HPV and etiopathogenesis of lung carcinoma. Diagn. Cytopathol. 2016;44:987–993. © 2016 Wiley Periodicals, Inc.
Tissue‐selective expression of a conditionally‐active ROCK2‐estrogen receptor fusion protein
Authors: Samuel Michael S. , Rath Nicola , Masre Siti F. , Boyle Sarah T. , Greenhalgh David A. , Kochetkova Marina , Bryson Sheila , Stevenson David , Olson Michael F. 
Published: October 2016

AbstractThe serine/threonine kinases ROCK1 and ROCK2 are central mediators of actomyosin contractile force generation that act downstream of the RhoA small GTP‐binding protein. As a result, they have key roles in regulating cell morphology and proliferation, and have been implicated in numerous pathological conditions and diseases including hypertension and cancer. Here we describe the generation of a gene‐targeted mouse line that enables CRE‐inducible expression of a conditionally‐active fusion between the ROCK2 kinase domain and the hormone‐binding domain of a mutated estrogen receptor (ROCK2:ER). This two‐stage system of regulation allows for tissue‐selective expression of the ROCK2:ER fusion protein, which then requires administration of estrogen analogues such as tamoxifen or 4‐hydroxytamoxifen to elicit kinase activity. This conditional gain‐of‐function system was validated in multiple tissues by crossing with mice expressing CRE recombinase under the transcriptional control of cytokeratin14 (K14), murine mammary tumor virus (MMTV) or cytochrome P450 Cyp1A1 (Ah) promoters, driving appropriate expression in the epidermis, mammary or intestinal epithelia respectively. Given the interest in ROCK signaling in normal physiology and disease, this mouse line will facilitate research into the consequences of ROCK activation that could be used to complement conditional knockout models. Birth Defects Research (Part A) 106:636–646, 2016. © 2016 Wiley Periodicals, Inc.
Generation and characterization of mice bearing null alleles of nradd/Nrh2
Authors: Unsain Nicolas , Dorval Genevieve , Sheen Jae Hyung , Barker Philip A 
Published: October 2016

AbstractThe Neurotrophin receptor associated death domain gene (Nradd/Nrh2/Plaidd) is a type I transmembrane protein with a unique and short N‐terminal extracellular domain and a transmembrane and intracellular domain that bears high similarity to the p75 neurotrophin receptor (p75NTR/Ngfr). Initial studies suggested that NRADD regulates neurotrophin signaling but very little is known about its physiological roles. We have generated and characterized NRADD conditional and germ‐line null mouse lines. These mice are viable and fertile and dońt show evident abnormalities. However, NRADD deletion results in an increase in the proportion of dorsal root ganglion neurons expressing p75NTR. The NRADD conditional and complete knockout mouse lines generated are new and useful tools to study the physiological roles of NRADD. Birth Defects Research (Part A) 106:605–612, 2016. © 2016 Wiley Periodicals, Inc.
Assessing spatiotemporal relationships between wildfire and mountain pine beetle disturbances across multiple time lags
Authors: Nelson Michael F. , Ciochina Mark , Bone Christopher 
Published: October 2016

AbstractNative bark beetles and wildfire are among the most prominent natural disturbances in the conifer forests of western North America. Using multiple approaches and scales, researchers have sought to understand how each disturbance may, or may not, influence the subsequent likelihood or severity of the other disturbance. Our objectives were to complement existing research on the linkage of mountain pine beetle and wildfire disturbances by combining large‐scale spatial data at variable temporal resolutions to characterize the discrepancy between observed and expected overlap areas of fire and beetle disturbances. Multiple time lags, differing by 1‐yr intervals, spanning the 30‐yr period 1984–2014 in theU.S.states of Washington and Oregon were examined for wildfire following bark beetle epidemics and for beetle epidemics following wildfire. We used existing spatial data sets of wildfires and insect pest disturbances to perform overlay analyses to characterize the two relationships. We also compared years of peak vs. non‐peak fires, as well as the influence of several individual, large disturbances. We found a clear association of increased bark beetle epidemic shortly after wildfire. The evidence of an association between increased fire extent and severity following bark beetle epidemics was less straightforward, although it suggested that the nature of the observed patterns varied with fire severity. In some cases, individual disturbance seasons or events were highly influential on the overall trends. Variability in the results highlights the challenges of quantifying landscape‐level relationships among disturbance types and supports the existing calls for further analyses with additional ecological variables.
The extra mile: Ungulate migration distance alters the use of seasonal range and exposure to anthropogenic risk
Authors: Sawyer Hall , Middleton Arthur D. , Hayes Matthew M. , Kauffman Matthew J. , Monteith Kevin L. 
Published: October 2016

AbstractPartial migration occurs across a variety of taxa and has important ecological and evolutionary consequences. Among ungulates, studies of partially migratory populations have allowed researchers to compare and contrast performance metrics of migrants versus residents and examine how environmental factors influence the relative abundance of each. Such studies tend to characterize animals discretely as either migratory or resident, but we suggest that variable migration distances within migratory herds are an important and overlooked form of population structure, with potential consequences for animal fitness. We examined whether the variation in individual migration distances (20–264 km) within a single wintering population of mule deer (Odocoileus hemionus) was associated with several critical behavioral attributes of migration, including timing of migration, time allocation to seasonal ranges, and exposure to anthropogenic mortality risks. Both the timing of migration and the amount of time animals allocated to seasonal ranges varied with migration distance. Animals migrating long distances (150–250 km) initiated spring migration more than three weeks before than those migrating moderate (50–150 km) or short distances (<50 km). Across an entire year, long‐distance migrants spent approximately 100 more days migrating compared to moderate‐ and short‐distance migrants. Relatedly, winter residency of long‐distance migrants was 71 d fewer than for animals migrating shorter distances. Exposure to anthropogenic mortality factors, including highways and fences, was high for long‐distance migrants, whereas vulnerability to harvest was high for short‐ and moderate‐distance migrants. By reducing the amount of time that animals spend on winter range, long‐distance migration may alleviate intraspecific competition for limited forage and effectively increase carrying capacity. Clear differences in winter residency, migration duration, and risk of anthropogenic mortality among short‐, moderate‐, and long‐distance migrants suggest fitness trade‐offs may exist among migratory segments of the population. Future studies of partial migration may benefit from expanding comparisons of residents and migrants, to consider how variable migration distances of migrants may influence the costs and benefits of migration.
Interface‐preserving level‐set reinitialization for DG‐FEM
Authors: Utz Thomas , Kummer Florian , Oberlack Martin 
Published: October 2016

SummaryThis paper presents a contribution to level‐set reinitialization in the context of discontinuous Galerkin finite element methods. We focus on high‐order polynomials for the discretization and level set geometries, which are comparable to the element size. In contrast to hyperbolic and geometric reinitialization techniques, our method relies on solving a nonlinear elliptic PDE iteratively. We critically compare two different variants of the algorithm experimentally in numerical studies. The results demonstrate that the method is stable for nontrivial test cases and shows high‐order accuracy. Copyright © 2016 John Wiley & Sons, Ltd.
Similarities and differences in the default mode network across rest, retrieval, and future imagining
Authors: Bellana B. , Liu Z.‐X. , Diamond N.B. , Grady C.L. , Moscovitch M. 
Published: October 2016

AbstractThe default mode network (DMN) has been identified reliably during rest, as well as during the performance of tasks such as episodic retrieval and future imagining. It remains unclear why this network is engaged across these seemingly distinct conditions, though many hypotheses have been proposed to account for these effects. Prior to generating hypotheses explaining common DMN involvement, the degree of commonality in the DMN across these conditions, within individuals, must be statistically determined to test whether or not the DMN is truly a unitary network, equally engaged across rest, retrieval and future imagining. To provide such a test, we used comparable paradigms (self‐directed, uninterrupted thought of equal duration) across the three conditions (rest, retrieval, and future imagining) in a within‐participant design. We found lower than expected pattern similarity in DMN functional connectivity across the three conditions. Similarity in connectivity accounted for only 40–50% of the total variance. Partial Least Squares (PLS) analyses revealed the medial temporal regions of the DMN were preferentially coupled with one another during episodic retrieval and future imagining, whereas the non‐medial temporal regions of the DMN (e.g., medial prefrontal cortex, lateral temporal cortex, and temporal pole) were preferentially coupled during rest. These results suggest that DMN connectivity may be more flexible than previously considered. Our findings are in line with emerging evidence that the DMN is not a static network engaged commonly across distinct cognitive processes, but is instead a dynamic system, topographically changing in relation to ongoing cognitive demands. Hum Brain Mapp 38:1155–1171, 2017. © 2016 Wiley Periodicals, Inc.