bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nickel(0)‐Catalyzed Enantioselective Annulations of Alkynes and Arylenoates Enabled by a Chiral NHC Ligand: Efficient Access to Cyclopentenones
Authors: Ahlin Joachim S. E. , Donets Pavel A. , Cramer Nicolai 
Published: September 2014

AbstractCyclopentenones are versatile structural motifs of natural products as well as reactive synthetic intermediates. The nickel‐catalyzed reductive [3+2] cycloaddition of α,β‐unsaturated aromatic esters and alkynes constitutes an efficient method for their synthesis. Here, nickel(0) catalysts comprising a chiral bulky C1‐symmetric N‐heterocyclic carbene ligand were shown to enable an efficient asymmetric synthesis of cyclopentenones from mesityl enoates and internal alkynes under mild conditions. The bulky NHC ligand provided the cyclopentenone products in very high enantioselectivity and led to a regioselective incorporation of unsymmetrically substituted alkynes.
PdII Complexes of [44]‐ and [46]Decaphyrins: The Largest Hückel Aromatic and Antiaromatic, and Möbius Aromatic Macrocycles
Authors: Yoneda Tomoki , Sung Young Mo , Lim Jong Min , Kim Dongho , Osuka Atsuhiro 
Published: September 2014

AbstractReductive metalation of [44]decaphyrin with [Pd2(dba)3] provided a Hückel aromatic [46]decaphyrin PdII complex, which was readily oxidized upon treatment with DDQ to produce a Hückel antiaromatic [44]decaphyrin PdII complex. In CH2Cl2 solution the latter complex underwent slow tautomerization to a Möbius aromatic [44]decaphyrin PdII complex which exists as a mixture of conformers in dynamic equilibrium. To the best of our knowledge, these three PdII complexes represent the largest Hückel aromatic, Hückel antiaromatic, and Möbius aromatic complexes to date.
Inkjet Printing and Instant Chemical Transformation of a CH3NH3PbI3/Nanocarbon Electrode and Interface for Planar Perovskite Solar Cells
Authors: Wei Zhanhua , Chen Haining , Yan Keyou , Yang Shihe 
Published: September 2014

AbstractA planar perovskite solar cell that incorporates a nanocarbon hole‐extraction layer is demonstrated for the first time by an inkjet printing technique with a precisely controlled pattern and interface. By designing the carbon plus CH3NH3I ink to transform PbI2 in situ to CH3NH3PbI3, an interpenetrating seamless interface between the CH3NH3PbI3 active layer and the carbon hole‐extraction electrode was instantly constructed, with a markedly reduced charge recombination compared to that with the carbon ink alone. As a result, a considerably higher power conversion efficiency up to 11.60 % was delivered by the corresponding solar cell. This method provides a major step towards the fabrication of low‐cost, large‐scale, metal‐electrode‐free but still highly efficient perovskite solar cells.
Styryl silsesquioxane photoresist
Authors: Sugita Hikaru , Tanaka Kei , Shirato Kaori , Yamamoto Ryota , Tateshima Kazuko 
Published: September 2014

ABSTRACTThere is a substantial need for photopattern‐able, heat resistant, and transparent materials that are applicable to electronic devices, such as imaging or display elements. Styryl silsesquioxane based photoresist forms thin micro patterns after i‐line exposure and alkaline development, and the resulting transparent film shows remarkable heat resistance. Radicals generated from a photoinitiator induce polymerization of styryl functionality in the photoresist film to form the micropatterns. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41459.
Development and oxygen scavenging performance of three‐layer active PET films for food packaging
Authors: Di Maio Luciano , Scarfato Paola , Galdi Maria Rosaria , Incarnato Loredana 
Published: September 2014

ABSTRACTPolymeric active materials represent an innovative food packaging concept that has been introduced to improve the quality of foods and to enhance their shelf life. In this article, the effect of the inclusion of an oxygen scavenger in a polymeric matrix, realizing multilayer active polyester films by coextrusion process, is analyzed. In particular, three layer active films, at different mass ratios of the layers, were produced to form symmetrical "ABA" structures comprising polyethylene terephthalate (PET) with a polymeric oxygen scavenger (OS) as core layer and pure PET as external layers. Oxygen scavenging tests conducted on the multilayer active structures have pointed out the role of the relative layer thickness in controlling the scavenging capacity, the activity time and the oxygen absorption rate. A modeling of the scavenging phenomena, which combines a quasi steady‐state distribution in the skin layers with a flat profile of O2content in the active core layer, can explain the experimentally observed oxygen absorption rate at short times. Moreover, steady state oxygen transport measurements, performed when the scavenger reactive capacity is exhausted, have shown that the presence of the active phase slightly reduces the O2permeability, compared with the neat PET. The effect, which progressively increases with the amount of active phase in the film formulation, was related to the different morphological state developed on processing. Finally, preliminary shelf life tests on fresh‐cut untreated apples suggest that the developed three layer active films have a significant potential in the shelf‐life extension of oxygen sensitive food products. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2015,132, 41465.
Experimental and simulative investigation into the mechanical behaviors of polypropylene with craze damage in different weakening processes
Authors: Wang Zijian , He Wenting , Hu Xiao , Zhang Yisheng 
Published: September 2014

ABSTRACTThis article focused on the experimental and simulative investigation into the mechanical behaviors of polypropylene (PP) at different strain rates. With the aim to describe the crazing yielding of PP, an elastoviscoplastic constitutive model with damage behavior was established and embedded into the finite element codes in the Abaqus platform. The simulation results are in good accordance with the experimental ones. Moreover, the influence of different weakening processes on the material properties was explored. In comparison to the nonweakened specimen, the weakened specimen exhibited nonlinear yielding properties under lower stress. Noteworthily, the integral strength of the weakened specimen proves to be linearly dependent on the cross‐section area of the weakening zone. Eventually, the damage model of simplified dashboard was utilized to study the damage law of the dashboard with V‐shaped weakening line. Results show the crack initially emerged at the weakening line and then rapidly expanded till the ends of the damage, which satisfied the damage requirements of practical dashboard. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41475.
Clay‐Assisted dispersion of carbon black in thermoplastic nanocomposites
Authors: Sharma Pankaj , Panwar Vinay , Pal Kaushik 
Published: September 2014

ABSTRACTThe poor dispersion of carbon black (CB) in thermoplastic polymers has provided a space for improving the various properties of nanocomposites. In this study, nanoclay (NC) was introduced into CB/thermoplastic composites to improve the dispersion of CB and, finally, to improve the thermal or mechanical performance. We noticed that there was a simultaneous enhancement in the mechanical and thermal performances of the nanocomposites because of the combination of the NC and CB. The information obtained from the mechanical and thermal studies indicated that the properties were improved to an appreciable extent because of the plastic–plastic/CB/NC combination. The tensile strength of polycarbonate (PC) was observed to be enhanced by 9.4% only because of the addition of CB, although when poly(methyl methacrylate) (PMMA) was used as a matrix material along with PC, the tensile strength improved by 25%, although the tensile strength of PMMA is much lower than that of PC. This confirmed that the tensile properties of the polymer composites also depended on the plastic–plastic interaction phenomenon. Moreover, the tensile strengths of the different blended nanocomposites system increased by around 42.5% with the addition of NC. A significant improvement of 22% was achieved in the thermal stability of the PMMA composites with the addition of CB. However, the addition of NC provided further improvement in the thermal decomposition temperature by only 3.7%. This showed that the thermal stability of the polymer nanocomposites was slightly affected by the addition of NC. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41477.
Dynamic mechanical analysis of barium ferrite magnetic tapes with aramid and poly(ethylene naphthalate) substrates
Authors: Berry Robert D. , Weick Brian L. 
Published: September 2014

ABSTRACTFrequency‐ and temperature‐dependent viscoelastic characteristics of advanced materials used for high‐capacity digital magnetic tapes were analyzed using a custom ultra‐low frequency dynamic mechanical analyzer (ULDMA). The magnetic tapes studied both use barium ferrite (BaFe) magnetic particles. One tape uses an aromatic poly(amide) or aramid substrate, and the other tape uses a poly(ethylene naphthalate) or PEN substrate. ULDMA studies were performed for both types of tape materials using samples cut from reels and the substrates after the front and back coats were removed. Two‐hour experiments were performed at 25, 30, 50, and 70°C temperatures, and four test frequencies were used at each temperature: 0.006, 0.010, 0.033, and 0.065 Hz. Properties determined were the peak strain‐based elastic modulus, E, and the storage modulus, E′, loss modulus, E″, loss tangent, tan(δ), complex modulus, E*, and complex loss, E″/E*, expressed as a percentage. When compared with the PEN tape and substrate materials, the peak elastic modulus, storage modulus, and complex modulus were higher for the aramid materials. Substrates for each material exhibited higher elastic, storage, and complex moduli compared with their respective tapes. Through the complex loss percentage, comparisons were made between the aramid and PEN materials related to their viscoelastic characteristics. Finally, the influence of frequency was shown to have increasing relevance at higher temperatures, with the PEN tape and substrate exhibiting an increase in complex loss modulus in the 50°C range because of the β* secondary transition. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41478.
Influence of liquid isoprene on rheological behavior and mechanical properties of polyisoprene rubber
Authors: Ren Yueqing , Zhao Suhe , Li Qianqian , Zhang Xingying , Zhang Liqun 
Published: September 2014

ABSTRACTPrevention of plasticizer leaching from polymers has been a difficult task. Conventional oily plasticizers (COPs) often migrate from rubber matrix, leading to a poor stability of rubber products and serious environmental problem during long‐term use. In the present study, liquid isoprene (LIP) with appropriate molecular weight and no migration was prepared by anionic polymerization. The effects of LIP on the comprehensive properties of carbon black filled polyisoprene rubber (CB/IR) composites were compared with those of one COP, naphthenic oil (NPO). The results showed that LIP reduced the Mooney viscosity and apparent viscosity, and improved the processability of CB/IR composites. LIP improved the mixing efficiency and the dispersion of the CB particles because its compatibility with CB/IR composites was higher than the compatibility of NPO and CB/IR composites. Furthermore, LIP did not migrate from the CB/IR composites because of its participation in the vulcanization reaction. Compared with CB/IR/NPO composites, CB/IR/LIP composites possessed higher mechanical properties, better aging resistance and long‐term dimensional stability. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41485.
Rational Electrostatic Design of Easy‐Axis Magnetic Anisotropy in a ZnII–DyIII–ZnII Single‐Molecule Magnet with a High Energy Barrier
Authors: Oyarzabal Itziar , Ruiz José , Seco José Manuel , Evangelisti Marco , Camón Agustín , Ruiz Eliseo , Aravena Daniel , Colacio Enrique 
Published: September 2014

AbstractTwo novel trinuclear complexes [ZnCl(μ‐L)Ln(μ‐L)ClZn][ZnCl3(CH3OH)]⋅3 CH3OH (LnIII=Dy (1) and Er (2)) have been prepared from the compartmental ligand N,N′‐dimethyl‐N,N′‐bis(2‐hydroxy‐3‐formyl‐5‐bromo‐benzyl)ethylenediamine (H2L). X‐ray studies reveal that LnIII ions are coordinated by two [ZnCl(L)]− units through the phenoxo and aldehyde groups, giving rise to a LnO8 coordination sphere with square‐antiprism geometry and strong easy‐axis anisotropy of the ground state. Ab initio CASSCF+RASSI calculations carried out on 1 confirm that the ground state is an almost pure MJ=±15/2 Kramers doublet with a marked axial anisotropy, the magnetic moment is roughly collinear with the shortest DyO distances. This orientation of the local magnetic moment of the DyIII ion in 1 is adopted to reduce the electronic repulsion between the oblate electron shape of the MJ=±15/2 Kramers doublet and the phenoxo‐oxygen donor atoms involved in the shortest DyO bonds. CASSCF+RASSI calculations also show that the ground and first excited states of the DyIII ion are separated by 129 cm−1. As expected for this large energy gap, compound 1 exhibits, in a zero direct‐current field, thermally activated slow relaxation of the magnetization with a large Ueff=140 K. The isostructural Zn–Er–Zn species does not present significant SMM behavior as expected for the prolate electron‐density distribution of the ErIII ion leading to an easy‐plane anisotropy of the ground doublet state.
On the Mechanism of the Palladium Bis(NHC) Complex Catalyzed CH Functionalization of Propane: Experiment and DFT Calculations
Authors: Munz Dominik , Strassner Thomas 
Published: September 2014

AbstractWe report a detailed mechanistic study on the CH functionalization of alkanes by palladium complexes with chelating bis(N‐heterocyclic carbene) (NHC) complexes. The experimental results are complemented by detailed DFT calculations, which allow us to rationalize the regioselectivity and the catalytic activity. The study includes a library of catalysts with different electronic and steric properties, kinetic data, and isotope effects. The combined experimental and computational results favor a mechanism involving organometallic palladium(IV) intermediates. Furthermore, it is shown that at high halide loadings a different mechanism is operative.
ChemInform Abstract: Deformation Induced Solid—Solid Phase Transitions in Gamma Boron.
Authors: An Qi , Goddard William A. III , Xiao Hai , Cheng Tao 
Published: September 2014

AbstractThree new polymorphs of boron are predicted by applying DFT (Perdew—Burke—Ernzerhof) calculations using the projector augmented wave method to large shear deformations starting from the recently discovered γ‐B28 boron phase (stable above 9 GPa and 1000 K).
ChemInform Abstract: Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials.
Authors: Luo Min , Wang GenXiang , Lin Chensheng , Ye Ning , Zhou Yuqiao , Cheng Wendan 
Published: September 2014

AbstractCompounds (IV) and (VII) are characterized by single crystal XRD, UV/VIS diffuse reflectance spectroscopy, second harmonic generation measurements, and DFT electronic structure calculations.
ChemInform Abstract: Discovery of New Nitridosilicate Phosphors for Solid State Lighting by the Single‐Particle‐Diagnosis Approach.
Authors: Hirosaki Naoto , Takeda Takashi , Funahashi Shiro , Xie Rong‐Jun 
Published: September 2014

AbstractA high‐speed single‐particle‐diagnosis method is reported for the discovery of new phosphors by just characterizing a luminescent crystalline particle of 10 μm in diameter.
ChemInform Abstract: Isolation of Bio‐Mesoporous Silica from Rice Husk.
Authors: He Jia‐Rung , Kuo Wei‐Chiao , Su Chi‐Shen , Lin Hong‐Ping 
Published: September 2014

AbstractMesoporous silica with a high surface area of about 200 m2/g and pore size of around 6.0 nm are isolated from agricultural wastes such as rice husk and horsetail grass by hydrothermal treatment with citric acid (60—100 °C, up to 24 h) followed by calcination at 600—700 °C for 3 h.
ChemInform Abstract: Synthesis and Characterization of a New Keggin Anion: [BeW12O40]6‐.
Authors: Anyushin Alexander V. , Smolentsev Anton I. , Mainichev Dmitry A. , Vicent Cristian , Gushchin Artem L. , Sokolov Maxim N. , Fedin Vladimir P. 
Published: September 2014

AbstractThe title anion is hydrothermally synthesized from an aqueous solution of Na2WO4, Be(NO3)2, and HNO3 (Parr digestion bomb, pH 3.5, 160 °C, 7 d) followed by filtration.
ChemInform Abstract: Rapid Microwave Synthesis and Structural Phase Diagram of LnxY1‐xMnO3.
Authors: Marlton Fred P. , Goossens Darren J. , White Reyner , Hutchison Wayne D. 
Published: September 2014

AbstractPolycrystalline 1 g samples of Y1‐xLnxMnO3 (Ln: La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb, In; x = 0—0.5) are prepared by solid state reaction of stoichiometric amounts of Y2O3, MnO2, and Ln2O3 or Pr6O11 (microwaves, 800—1400 °C, 30—100 min).
ChemInform Abstract: Designing Polar and Magnetic Oxides: Zn2FeTaO6 — In Search of Multiferroics.
Authors: Li Man‐Rong , Stephens Peter W. , Retuerto Maria , Sarkar Tapati , Grams Christoph P. , Hemberger Joachim , Croft Mark C. , Walker David , Greenblatt Martha 
Published: September 2014

AbstractThe new polar and magnetic LiNbO3‐type title compound is obtained from stoichiometric mixtures of ZnO, Fe2O3, and Ta2O5 under high pressure (multi‐anvil press, 9 GPa, 1623 K, 1 h).
ChemInform Abstract: Palladium(0)‐Catalyzed Methylenecyclopropanation of Norbornenes with Vinyl Bromides.
Authors: Mao Jiangang , Bao Weiliang 
Published: September 2014

AbstractA novel and efficient Pd(0)‐catalyzed [2 + 1] cycloaddition of vinyl bromides with norbornene derivatives is developed to synthesize polycyclic methylenecyclopropane derivatives.
ChemInform Abstract: Silver Nitrate‐Catalyzed Selective Air Oxidation of Benzylic and Allylic Alcohols to Corresponding Aldehydes or Ketones.
Authors: Wang Jiayi , Li Yuan , Peng Yanqing , Song Gonghua 
Published: September 2014

AbstractPrimary and secondary allylic and benzylic alcohols are selectively oxidized, whereas the corresponding aliphatic alcohols are generally unreactive.
ChemInform Abstract: Reactivity of tert‐Butanesulfinamides in Palladium‐Catalyzed Allylic Substitutions.
Authors: Mistico Laetitia , Ay Emel , Huynh Vaizanne , Bourderioux Aurelie , Chemla Fabrice , Ferreira Franck , Oble Julie , Perez‐Luna Alejandro , Poli Giovanni , Prestat Guillaume 
Published: September 2014

AbstractThe process can not be applied to 1,1′,2‐trisubstituted alkenes such as prenyl carbonate which does not react.
ChemInform Abstract: Gold‐Catalyzed Enantioselective Ring‐Expanding Cycloisomerization of Cyclopropylidene Bearing 1,5‐Enynes.
Authors: Zheng Hongchao , Felix Ryan J. , Gagne Michel R. 
Published: September 2014

AbstractThe title reaction provides a new approach to bicyclo[4.2.0]octanes, a structural motif present in many biologically active natural products
ChemInform Abstract: A New Enantioselective Synthesis of (S)‐2‐Ethoxy‐3‐(4‐hydroxyphenyl)propanoic Acid Esters (EEHP and IEHP), Useful Pharmaceutical Intermediates of PPAR Agonists.
Authors: Mujahid M. , Kunte S. S. , Muthukrishnan M. 
Published: September 2014

AbstractThe new enantioselective approach to the title compounds (IV) is based on the formation of key intermediate (III) from commercially available racemic epoxide (I).
ChemInform Abstract: Copper‐Catalyzed Olefinic C—H Difluoroacetylation of Enamides.
Authors: Caillot Gilles , Dufour Jeremy , Belhomme Marie‐Charlotte , Poisson Thomas , Grimaud Laurence , Pannecoucke Xavier , Gillaizeau Isabelle 
Published: September 2014

AbstractThe regioselective Cu‐catalyzed radical free synthesis of β‐difluoroester substituted enamides is described.
ChemInform Abstract: Organocatalytic Atroposelective Aldol Condensation: Synthesis of Axially Chiral Biaryls by Arene Formation.
Authors: Link Achim , Sparr Christof 
Published: September 2014

AbstractA novel strategy for the atroposelective synthesis of 1,1′‐binaphthalene‐2‐carbaldehydes with excellent stereoselectivity is presented using precursors (I) in the presence of L‐proline derived tetrazole as catalyst.
ChemInform Abstract: Synthesis of Dibenzocyclohepten‐5‐ones by Electrophilic Iodocyclization of 1‐([1,1′‐Biphenyl]‐2‐yl)alkynones.
Authors: Chen Yu , Huang Chenlong , Liu Xiaochen , Perl Eliyahu , Chen Zhiwei , Namgung Jieun , Subramaniam Gopal , Zhang Gan , Hersh William H. 
Published: September 2014

AbstractA facile method to prepare dibenzocyclohepten‐5‐ones, the core structure of allocolchicine, is reported.
ChemInform Abstract: Dimerization Behavior of Substituted Bicyclo[3.1.0]hex‐1‐ene Derivatives.
Authors: Zheng Jun‐Cheng , Liu Huaqing , Lee Nam‐Kyu , Lee Daesung 
Published: September 2014

AbstractThe dimerization of in situ generated bicyclo[3.1.0]hex‐1‐enes is described with respect to formation of the compounds of type (III).
ChemInform Abstract: Ligand‐Promoted Asymmetric Imino‐Reformatsky Reaction of Ethyl Dibromofluoroacetate.
Authors: Tarui Atsushi , Nishimura Haruka , Ikebata Takeshi , Tahira Asuka , Sato Kazuyuki , Omote Masaaki , Minami Hideki , Miwa Yoshihisa , Ando Akira 
Published: September 2014

AbstractThe enantiopure synthesized bromolactams can be further converted to α‐aryl‐β‐lactams (V) by asymmetric Ni‐catalyzed Kumada coupling in good yields.
ChemInform Abstract: Regiocontrolled Palladium‐Catalyzed Direct Arylation at Carbon C2 of Benzofurans Using Benzenesulfonyl Chlorides as the Coupling Partners.
Authors: Loukotova Lenka , Yuan Kedong , Doucet Henri 
Published: September 2014

AbstractA new protocol for the selective C2 arylation of benzofuran derivatives is developed.
ChemInform Abstract: Lewis Acid‐Catalyzed Cascade Radical Addition/Cyclization for the Synthesis of 3‐Substituted Isoindolin‐1‐one Derivatives.
Authors: Zhang Lianjin , Kim Jin Bum , Jang Doo Ok 
Published: September 2014

AbstractYb(OTf)3‐catalyzed cascade radical addition reactions of 2‐formylbenzoate‐derived hydrazones with alkyl iodides give 2‐amino‐3‐alkylisoindolin‐1‐ones.
ChemInform Abstract: Ruthenium‐ and Rhodium‐Catalyzed Dehydrogenative ortho‐Alkenylation of Benzylamines via Free Amino Group Directed C—H Bond Cleavage.
Authors: Suzuki Chiharu , Morimoto Keisuke , Hirano Koji , Satoh Tetsuya , Miura Masahiro 
Published: September 2014

AbstractBenzylamines react with acrylates in the presence of ruthenium catalyst to give (isoindol‐1‐yl)acetic acid derivatives via free amino‐directed ortho‐alkenylation and successive domino cyclization.
ChemInform Abstract: Tandem Diels—Alder/Coupling Reaction Involving Two Arynes: Highly Stereoselective Synthesis of Dihydronaphtho‐Fused Oxindole.
Authors: Su Shikuan , Wang Ning , Li Chunju , Song Boyi , Jia Xueshun , Li Jian 
Published: September 2014

AbstractThe reaction is sensitive to the steric effects of the aromatic substituents at the double bond in the substrates.
ChemInform Abstract: Asymmetric Catalysis on the Nanoscale: The Organocatalytic Approach to Helicenes.
Authors: Koetzner Lisa , Webber Matthew J. , Martinez Alberto , De Fusco Claudia , List Benjamin 
Published: September 2014

AbstractThe first asymmetric synthesis of chiral helicenes catalyzed by a novel phosphoric acid via the Fischer indole reaction is reported.
ChemInform Abstract: Chemoselective Reduction of Functionalized 5‐Nitroisoxazoles: Synthesis of 5‐Amino‐ and 5‐[Hydroxy(tetrahydrofuran‐2‐yl)amino]isoxazoles.
Authors: Averina Elena B. , Vasilenko Dmitry A. , Samoilichenko Yuri V. , Grishin Yuri K. , Rybakov Victor B. , Kuznetsova Tamara S. , Zefirov Nikolay S. 
Published: September 2014

AbstractThe 5‐nitroisoxazoles are easily prepared from the corresponding olefines and tetranitromethane.