bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Rapid Microwave‐Assisted Thermolysis Route to Highly Crystalline Carbon Nitrides for Efficient Hydrogen Generation
Authors: Guo Yufei , Li Jing , Yuan Yupeng , Li Lu , Zhang Mingyi , Zhou Chenyan , Lin Zhiqun 
Published: October 2016

AbstractHighly crystalline graphitic carbon nitride (g‐C3N4) with decreased structural imperfections benefits from the suppression of electron–hole recombination, which enhances its hydrogen generation activity. However, producing such g‐C3N4 materials by conventional heating in an electric furnace has proven challenging. Herein, we report on the synthesis of high‐quality g‐C3N4 with reduced structural defects by judiciously combining the implementation of melamine–cyanuric acid (MCA) supramolecular aggregates and microwave‐assisted thermolysis. The g‐C3N4 material produced after optimizing the microwave reaction time can effectively generate H2 under visible‐light irradiation. The highest H2 evolution rate achieved was 40.5 μmol h−1, which is two times higher than that of a g‐C3N4 sample prepared by thermal polycondensation of the same supramolecular aggregates in an electric furnace. The microwave‐assisted thermolysis strategy is simple, rapid, and robust, thereby providing a promising route for the synthesis of high‐efficiency g‐C3N4 photocatalysts.
A Counterion‐Directed Approach to the Diels–Alder Paradigm: Cascade Synthesis of Tricyclic Fused Cyclopropanes
Authors: Kiss Emily , Campbell Craig D. , Driver Russell W. , Jolliffe John D. , Lang Rosemary , Sergeieva Tetiana , Okovytyy Sergiy , Paton Robert S. , Smith Martin D. 
Published: October 2016

AbstractAn approach to the intramolecular Diels–Alder reaction has led to a cascade synthesis of complex carbocycles composed of three fused rings and up to five stereocenters with complete stereocontrol. Computational analysis reveals that the reaction proceeds by a Michael/Michael/cyclopropanation/epimerization cascade in which size and coordination of the counterion is key.
Accessing Drug Metabolites via Transition‐Metal Catalyzed C−H Oxidation: The Liver as Synthetic Inspiration
Authors: Genovino Julien , Sames Dalibor , Hamann Lawrence G. , Touré B. Barry 
Published: October 2016

AbstractCan classical and modern chemical C−H oxidation reactions complement biotransformation in the synthesis of drug metabolites? We have surveyed the literature in an effort to try to answer this important question of major practical significance in the pharmaceutical industry. Drug metabolites are required throughout all phases of the drug discovery and development process; however, their synthesis is still an unsolved problem. This Review, not intended to be comprehensive or historical, highlights relevant applications of chemical C−H oxidation reactions, electrochemistry and microfluidic technologies to drug templates in order to access drug metabolites, and also highlights promising reactions to this end. Where possible or appropriate, the contrast with biotransformation is drawn. In doing so, we have tried to identify gaps where they exist in the hope to spur further activity in this very important research area.
Exceptionally Selective and Tunable Sensing of Guanine Derivatives and Analogues by Structural Complementation in a G‐Quadruplex
Authors: Li Xin‐min , Zheng Ke‐wei , Hao Yu‐hua , Tan Zheng 
Published: October 2016

AbstractA guanine‐vacancy‐bearing G‐quadruplex (GVBQ) interacts with guanine and derivatives by a structural complementation to form a more stable and intact G‐quadruplex. Sensors using GVBQs are devised to detect guanine and other nucleobases, and their derivatives derived from structurally similar compounds. A strict requirement of Hoogsteen hydrogen bonds between the GVBQ and analyte in the structural complementation confers exceptional selectivity on the analyte. As such, subtle modifications on analytes affecting even a single hydrogen bond can preclude the recognition. In principle, the strategy may also be expanded to detect many planar cyclic compounds. Because nucleobases and derivatives/metabolites are involved in many physiological and pathological processes, this type of sensor may find applications in risk assessment of pathogenesis and therapeutics related to nucleic acid metabolism.
Solvent‐Driven Reductive Activation of CO2 by Bismuth: Switching from Metalloformate Complexes to Oxalate Products
Authors: Thompson Michael C. , Ramsay Jacob , Weber J. Mathias 
Published: October 2016

AbstractIn this work, we investigated how the reductive activation of CO2 with an atomic bismuth model catalyst changes under aprotic solvation. IR photodissociation spectroscopy of mass‐selected [Bi(CO2)n]− cluster ions was used to follow the structural evolution of the core ion with increasing cluster size. We interpreted the IR spectra by comparison with density‐functional‐theory calculations. The results show that CO2 binds to a bismuth atom in the presence of an excess electron to form a metalloformate ion, BiCOO−. Solvation with additional CO2 molecules leads to the stabilization of a bismuth(I) oxalate complex and results in a core ion switch.
Bilayer Networks within a Hydrogel Shell: A Robust Chassis for Artificial Cells and a Platform for Membrane Studies
Authors: Baxani Divesh K. , Morgan Alex J. L. , Jamieson William D. , Allender Christopher J. , Barrow David A. , Castell Oliver K. 
Published: October 2016

AbstractThe ability to make artificial lipid bilayers compatible with a wide range of environments, and with sufficient structural rigidity for manual handling, would open up a wealth of opportunities for their more routine use in real‐world applications. Although droplet interface bilayers (DIBs) have been demonstrated in a host of laboratory applications, from chemical logic to biosynthesis reaction vessels, their wider use is hampered by a lack of mechanical stability and the largely manual methods employed in their production. Multiphase microfluidics has enabled us to construct hierarchical triple emulsions with a semipermeable shell, in order to form robust, bilayer‐bound, droplet networks capable of communication with their external surroundings. These constructs are stable in air, water, and oil environments and overcome a critical obstacle of achieving structural rigidity without compromising environmental interaction. This paves the way for practical application of artificial membranes or droplet networks in diverse areas such as medical applications, drug testing, biophysical studies and their use as synthetic cells.
A Self‐Healing Aqueous Lithium‐Ion Battery
Authors: Zhao Yang , Zhang Ye , Sun Hao , Dong Xiaoli , Cao Jingyu , Wang Lie , Xu Yifan , Ren Jing , Hwang Yunil , Son In Hyuk , Huang Xianliang , Wang Yonggang , Peng Huisheng 
Published: October 2016

AbstractFlexible lithium‐ion batteries are critical for the next‐generation electronics. However, during the practical application, they may break under deformations such as twisting and cutting, causing their failure to work or even serious safety problems. A new family of all‐solid‐state and flexible aqueous lithium ion batteries that can self‐heal after breaking has been created by designing aligned carbon nanotube sheets loaded with LiMn2O4 and LiTi2(PO4)3 nanoparticles on a self‐healing polymer substrate as electrodes, and a new kind of lithium sulfate/sodium carboxymethylcellulose serves as both gel electrolyte and separator. The specific capacity, rate capability, and cycling performance can be well maintained after repeated cutting and self‐healing. These self‐healing batteries are demonstrated to be promising for wearable devices.
p‐Azidophenylarsenoxide: An Arsenical “Bait” for the In Situ Capture and Identification of Cellular Arsenic‐Binding Proteins
Authors: Yan Xiaowen , Li Jinhua , Liu Qingqing , Peng Hanyong , Popowich Aleksandra , Wang Zhixin , Li Xing‐Fang , Le X. Chris 
Published: October 2016

AbstractIdentification of arsenic‐binding proteins is important for understanding arsenic health effects and for developing arsenic‐based therapeutics. We report here a strategy for the capture and identification of arsenic‐binding proteins in living cells. We designed an azide‐labeled arsenical, p‐azidophenylarsenoxide (PAzPAO), to serve bio‐orthogonal functions: the trivalent arsenical group binds to cellular proteins in situ, and the azide group facilitates click chemistry with dibenzylcyclooctyne. The selective and efficient capture of arsenic‐binding proteins enables subsequent enrichment and identification by shotgun proteomics. Applications of the technique are demonstrated using the A549 human lung carcinoma cells and two in vitro model systems. The technique enables the capture and identification of 48 arsenic‐binding proteins in A549 cells incubated with PAzPAO. Among the identified proteins are a series of antioxidant proteins (e.g., thioredoxin, peroxiredoxin, peroxide reductase, glutathione reductase, and protein disulfide isomerase) and glyceraldehyde‐3‐phosphate dehydrogenase. Identification of these functional proteins, along with studies of arsenic binding and enzymatic inhibition, points to these proteins as potential molecular targets that play important roles in arsenic‐induced health effects and in cancer treatment.
New Design of a Disulfurating Reagent: Facile and Straightforward Pathway to Unsymmetrical Disulfanes by Copper‐Catalyzed Oxidative Cross‐Coupling
Authors: Xiao Xiao , Feng Minghao , Jiang Xuefeng 
Published: October 2016

AbstractA novel reagent, which introduces two sulfur atoms in one step, was designed and used for the construction of diverse disulfanes by copper‐catalyzed oxidative cross‐coupling under mild reaction conditions. By applying this stable and readily prepared reagent, late‐stage modification of pharmaceuticals and natural products can be achieved straightforward. The scaled‐up experiments further indicated the practicality of this protocol. The pH value of the system plays a key role in achieving highly selective cleavage of the C−S bond instead of a S−S bond in the transformation.
Catalytic Asymmetric Piancatelli Rearrangement: Brønsted Acid Catalyzed 4π Electrocyclization for the Synthesis of Multisubstituted Cyclopentenones
Authors: Cai Yunfei , Tang Yurong , Atodiresei Iuliana , Rueping Magnus 
Published: October 2016

AbstractThe first catalytic asymmetric Piancatelli reaction is reported. Catalyzed by a chiral Brønsted acid, the rearrangement of a wide range of furylcarbinols with a series of aniline derivatives provides valuable aminocyclopentenones in high yields as well as excellent enantioselectivities and diastereoselectivities. The high value of the aza‐Piancatelli rearrangement was demonstrated by the synthesis of a cyclopentane‐based hNK1 antagonist analogue.
Absolute Minimal Sampling in High‐Dimensional NMR Spectroscopy
Authors: Hansen Alexandar L. , Brüschweiler Rafael 
Published: October 2016

AbstractStandard three‐dimensional Fourier transform (FT) NMR experiments of molecular systems often involve prolonged measurement times due to extensive sampling required along the indirect time domains to obtain adequate spectral resolution. In recent years, a wealth of alternative sampling methods has been proposed to ease this bottleneck. However, due to their algorithmic complexity, for a given sample and experiment it is often hard to determine the minimal sampling requirement, and hence the maximal achievable experimental speed up. Herein we introduce an absolute minimal sampling (AMS) method that can be applied to common 3D NMR experiments. We show for the proteins ubiquitin and arginine kinase that for widely used experiments, such as 3D HNCO, accurate carbon frequencies can be obtained with a single time increment, while for others, such as 3D HN(CA)CO, all relevant information is obtained with as few as 6 increments amounting to a speed up of a factor 7–50.
Copper Salt‐Controlled Divergent Reactivity of [Cu]CF2PO(OEt)2 with α‐Diazocarbonyl Derivatives
Authors: Ivanova Maria V. , Bayle Alexandre , Besset Tatiana , Pannecoucke Xavier , Poisson Thomas 
Published: October 2016

AbstractHerein, we report a copper salt‐controlled divergent reactivity toward α‐diazocarbonyl compounds. By a simple change of the copper counteranion under identical reaction conditions, the reported method allowed an easy access to either (Z)‐α‐fluorovinylphosphonate or alkyl‐SCF2PO(OEt)2 derivatives in good yields. Mechanistic studies were performed and suggested two different pathways to explain the formation of these products.
Factors that enable the formation of porous strut morphology in “Swiss Cheese” viscoelastic polyurethane foam technology
Authors: Aou Kaoru , Gamboa Rogelio R. , Obi Bernard E. , Cook Renee , Latham Dwight D. 
Published: October 2016

ABSTRACTSeveral factors were investigated that affect porous strut morphology in the Highly Porous Supersoft Viscoelastic Foam. Porous strut morphology and high air permeability of the Swiss‐Cheese TDI VE technology were found to be enabled by the combination of immiscible polyether polyols mixed with a third, highly hydrophobic polyol of high equivalent weight that is immiscible with either of the first two polyether polyols. Completely “punctured through” pores in struts were observed more frequently in foam samples where an isocyanate index of 90 versus 100 was employed. When isocyanate index is fixed to 90, it was found that a poly(1,2‐butylene oxide) (“PBO”) monol level of ≥3.0 parts per hundred polyol (pphp) was needed to see the first signs of a “punctured” pore strut morphology. Studies show that a “high‐Eq.Wt.‐hydrophobic‐polyol‐leaving‐voids” model is consistent with observed results. Hydrophobic polyols that allowed the formation of porous strut morphology included BO‐4000 monol (Eq.Wt. ∼ 4000) and PBD‐10000 diol (Eq.Wt. ∼ 5000). The use of these hydrophobic polyols also yielded air flows that were significantly higher than those obtained with the “standard” viscoelastic foam formulations that were prepared at the same isocyanate index. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44449.
Preparation of gel resins and removal of copper and lead from water
Authors: Yin Xiao‐Chun , Liu Xiong , Fan Jing‐Chun , Wu Jian‐Jun , Men Jun‐Liang , Zheng Gui‐Seng 
Published: October 2016

ABSTRACTA series of gel resins were prepared by polymerizing glycidyl methacrylate (GMA) and 2‐acrylamido‐2‐methylpropane sulfonic acid (AMPS) and functionalizing with ammonia (NH3) and tetraethylenepentamine (TEPA). The aminated gel resins were then used as an adsorbent for the removal of heavy metal ions (Cu2+ and Pb2+). These gel resins containing amino groups and chelating amino groups had excellent adsorptive properties for Cu2+ and Pb2+. The adsorption process reached equilibrium in 40 min, and the adsorption capacities of Cu2+ and Pb2+ were 75.0 mg g−1 and 266.6 mg g−1 for the NH3‐aminated gel resins and 57.5 mg g−1 and 330.6 mg g−1 for the TEPA‐aminated gel resins, respectively. After five adsorption–desorption processes, the adsorption capacities only decreased slightly. Thus, these aminated gel resins can be used as effective adsorbents for aqueous heavy metal ions (Cu2+ and Pb2+). © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44466.
Effect of nanoparticles on the mechanical properties of acrylonitrile–butadiene–styrene specimens fabricated by fused deposition modeling
Authors: Meng Shuna , He Hui , Jia Yunchao , Yu Peng , Huang Bai , Chen Jian 
Published: October 2016

ABSTRACTAcrylonitrile–butadiene–styrene (ABS) nanocomposite filaments with different inorganic nanofillers for fused deposition modeling (FDM) were prepared by melting extrusion and printed via a commercial FDM three‐dimensional printer. The effects of the nanoparticles on the mechanical strength, anisotropy, and thermal properties of the ABS specimens were evaluated. The performances of the virgin ABS samples manufactured by FDM and injection molding were also studied. The results show that the tensile strength (TS) of the pure ABS made by FDM was just up to 70% of the value obtained from the injection‐molded specimens. The mechanical anisotropy of the pure ABS samples was very evident when the building orientation was changed. However, we found that the addition of nanofillers significantly reduced the mechanical anisotropy and improved the mechanical strength and thermostability of the ABS samples fabricated by FDM technology. The TS and flexural strength of the ABS samples increased by 25.7 and 17.1%, respectively, with the introduction of nanomontmorillonite. The addition of nano calcium carbonate lowered the mechanical anisotropy of ABS from 42.1 to 23.9%. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44470.
Static adsorption and dynamic retention of an anti‐salinity polymer in low permeability sandstone core
Authors: Li Qinzhi , Pu Wanfen , Wei Bing , Jin Fayang , Li Kexing 
Published: October 2016

ABSTRACTThe technical viability of enhancing oil recovery (EOR) using polymer flooding has been verified. Through correcting the unfavorable mobility ratio, polymer flooding could significantly improve the macroscopic sweep efficiency of waterflooding, which makes it attractive in middle to high permeability reservoirs. However, as the depletion of these easy‐to‐produce resources, the interests of oil industry will be diverted to low permeability reservoirs and polymer flooding is believed to be one of the key methods for this type of reservoir. To meet this technological tendency, the current work investigated the applicability of an anti‐salinity polymer (KYPAM) in low permeability sandstone reservoirs. The interactions between polymer and sandstone surface including static adsorption and dynamic retention were addressed. Static adsorption data proved that the adsorptive behavior of this anti‐salinity polymer was closely related to molecular weight and concentration. The quantity of the detained KYPAM polymer in the sandstone core rapidly increased once the permeability dropped below 38 mD. High molecular weight KYPAM experienced noticeable retention compared with low molecular weight polymers resulting from the large hydrodynamic size. Due to polymer retention, the permeability of the sandstone core was significantly influenced particularly for the low permeability cores. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44487.
Semianalytical models to predict the crystallization kinetics of thermoplastic fibrous composites
Authors: Durin Audrey , Boyard Nicolas , Bailleul Jean‐Luc , Billon Noëlle , Chenot Jean‐Loup , Haudin Jean‐Marc 
Published: October 2016

ABSTRACTThe growing interest for continuous fiber‐reinforced polymer composites leads to the development of new processes such as resin transfer molding for thermoplastics (RTM‐TP) or tape placement. In the aim of optimization, their simulations are required and have to include all involved physical phenomena and the associated couplings. During the consolidation step, the crystallization of the semicrystalline matrix occurs between the fibers of the multiscale reinforcement. A tricky task is to provide a realistic model able to describe the crystallization kinetics, which includes the effect of fibers on the polymer phase change and avoiding large computation time. In 2004, Haudin and Chenot proposed a generalization of the Avrami model, written in a differential form to compute the evolution of the crystallization of a neat thermoplastic in an infinite volume. In the present article, new extensions are proposed to predict the crystallization in long‐fiber thermoplastic composites, without or in the presence of transcrystallinity on fiber surfaces. In both cases, they are compared to three‐dimensional numerical simulations using a previously validated numerical method. All the numerical and analytical results are consistent. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2017,134, 44508.
Preparation and properties of 4,4′‐(hexafluoroisopropylidene) diphenol cured 2,2‐bis(4‐cyanatophenyl) propane
Authors: Hou Defa , Ma Hanbing , Li Xiuyun , He Jie , Liao Huiwei 
Published: October 2016

ABSTRACTA novel easily curing system of 2,2‐bis(4‐cyanatophenyl) propane(BACY) was prepared by employing 4,4′‐(Hexafluoroisopropylidene) Diphenol (BPAF) as modifier. The curing efficiency of BPAF was evaluated by means of differential scanning calorimetry (DSC) and Fourier translation infrared spectroscopy analysis (FTIR). It was found that the exothermic peak temperature (Tp) was 168 °C when the content of BPAF/BACY was 15/85 by weight, while the temperature of BACY was 215 °C under the same conditions when trace of cobalt(III) acetylacetonate(CoAt(III)) was added. Besides, BPAF/BACY system owned outstanding properties including excellent curing characteristics, high shear strength, remarkable dielectric properties and high thermal stability in contrast to BACY, 4,4′‐(1‐methylethylidene) bisphenol(BPA)/BACY, and nonylphenol(NoP)/BACY systems. Moreover, the properties of cured BPAF/BACY modified by different proportions of BPAF were studied in detail. It was shown that moderate BPAF was conducive to most properties of polycyanurate, and the optimal proportion of BPAF/BACY was 15/85 by weight. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44518.
Tunable thermal degradation and refractive index of poly(norbornene sulfone)s via two different polymerization methods
Authors: Liu Xin , Zhi Yunfei , Shan Shaoyun , Su Hongying , Jia Qingming 
Published: October 2016

ABSTRACTA novel polysulfone was easily synthesized by alternating copolymerization of norbornene with sulfur dioxide (SO2) via free radical copolymerization and coordination copolymerization. Compared with other olefin derivatives, norbornene is a cyclic olefin having a larger steric hindrance, which is easily copolymerized with SO2, and the obtained poly(norbornene sulfone)s have excellent thermomechanical and optical properties. The effect of the different polymerization methods on the copolymerization reaction was analyzed in detail. The results suggested that different polymerization mechanisms exist in the different polymerization methods and affect the thermal stability and optical properties of the polysulfone. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44534.
Anatomical Variation of the Tarsus in Common Inbred Mouse Strains
Authors: Richbourg Heather A. , Martin Matthew J. , Schachner Emma R. , McNulty Margaret A. 
Published: October 2016

ABSTRACTRodent models are used for a variety of orthopedic research applications; however, anatomy references include mostly artistic representations. Advanced imaging techniques, including micro‐computed tomography (microCT), can provide more accurate representations of subtle anatomical characteristics. A recent microCT atlas of laboratory mouse (Mus musculus) anatomy depicts the central and tarsal bone III (T3) as a single bone, differing from previous references. Fusion of tarsal bones is generally characterized as pathological secondary to mutations associated with growth factors, and normal variation has not been documented in the mouse tarsus. Therefore, it is unclear if this fusion is a normal or a pathological characteristic. The aim of this study is to characterize the tarsus of the laboratory mouse and compare it to the rat and selected outgroup species (i.e., white‐footed mouse) via microCT and histology to determine if the central and T3 are separate or fused into a single bone. Laboratory mice (C57/Bl6 [n = 17] and BalbC [n = 2]) and rats (n = 5) were scanned with microCT. A representative laboratory mouse from each strain was evaluated histologically via serial sagittal sections through the mid‐tarsus. General pedal anatomy was similar between all species; however, the central and T3 bones were fused in all laboratory mice but not the rat or white‐footed mouse. A band of hyaline cartilage was identified within the fused bone of the laboratory mice. We conclude that the fusion found is a normal characteristic in laboratory mice, but timing of the fusion remains ambiguous. Anat Rec, 300:450–459, 2017. © 2016 Wiley Periodicals, Inc.