bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Copper‐Catalyzed Trifluoromethylation of Acrylamides Coupled with Indole Dearomatization: Access to Trifluoromethyl‐Substituted Spiro[indole‐3,3′‐pyrrolidine] Derivatives.
Authors: Han Guifang , Wang Qiang , Chen Linwei , Liu Yuxiu , Wang Qingmin 
Published: June 2016

AbstractA facile approach to pharmaceutically interesting compounds is reported.
ChemInform Abstract: Gold‐Catalyzed Tandem Cycloisomerization—Halogenation of Chiral Homopropargyl Sulfonamides.
Authors: Shu Chao , Li Long , Shen Cang‐Hai , Ruan Peng‐Peng , Liu Chao‐Yue , Ye Long‐Wu 
Published: June 2016

AbstractTwo new gold‐catalyzed tandem cycloisomerization—halogenation reactions of chiral homopropargyl sulfonamides are developed.
ChemInform Abstract: A General Route to β‐Substituted Pyrroles by Transition‐Metal Catalysis.
Authors: Bunrit Anon , Sawadjoon Supaporn , Tsupova Svetlana , Sjoeberg Per J. R. , Samec Joseph S. M. 
Published: June 2016

AbstractThe Pd‐catalyzed bis‐allylation of aromatic and aliphatic amines followed by a one‐pot Grubbs‐catalyzed ring‐closing metathesis and a FeCl3‐promoted aromatization provides an efficient route to 1,3‐disubstituted pyrroles.
ChemInform Abstract: Chiral Imidodiphosphoric Acids‐Catalyzed Friedel—Crafts Reactions of Indoles/Pyrroles with 3‐Hydroxy‐indolyloxindoles: Enantioselective Synthesis of 3,3‐Diaryloxindoles.
Authors: Zhuo Ming‐Hua , Liu Guo‐Feng , Song Shan‐Liang , An Dong , Gao Jigang , Zheng Liangyu , Zhang Suoqin 
Published: June 2016

AbstractNovel types of 3,3‐di(heteroaryl)oxindoles are obtained from the first organocatalytic, enantioselective Friedel—Crafts alkylation of indoles and pyrroles, respectively, with 3‐hydroxy‐indolyloxindoles.
ChemInform Abstract: Exploiting the Multidentate Nature of Chiral Disulfonimides in a Multicomponent Reaction for the Asymmetric Synthesis of Pyrrolo[1,2‐a]indoles: A Remarkable Case of Enantioinversion.
Authors: Galvan Alicia , Gonzalez‐Perez Adan B. , Alvarez Rosana , de Lera Angel R. , Fananas Francisco J. , Rodriguez Felix 
Published: June 2016

AbstractChiral organocatalyst BDI is applied in the asymmetric 3‐component reaction between indol‐2‐carbaldehydes, anilines, and dihydrofuran giving the 2,3,3a,10a‐tetrahydro‐4H‐furo[3′,2′:4,5]pyrrolo[1,2‐a]indoles in modest to good yields and with modest to high enantioselectivities.
ChemInform Abstract: Iodine‐Mediated Synthesis of Novel Pyrazole Derivatives.
Authors: Mahdavi Mohammad , Khoshbakht Mahsa , Saeedi Mina , Asadi Mehdi , Bayat Mohammad , Foroumadi Alireza , Shafiee Abbas 
Published: June 2016

AbstractNovel 5‐amino‐1‐aryl‐3‐arylamino‐1H‐pyrazole‐4‐carbonitriles are prepared from diarylthiosemicarbazides and malononitrile using iodine as desulfurizing and cyclization agent.
ChemInform Abstract: Unexpected Formation of 5‐Alkylidene Derivatives of Hydantoin from the Michael Addition of 4‐Phenylurazole to Fumaric Esters.
Authors: Soltanzadeh Zahra , Imanzadeh Gholamhassan , Noroozi‐Pesyan Nader , Sahin Ertan , Hooshmand Hemayat 
Published: June 2016

AbstractThe reaction of 4‐phenylurazole and fumaric esters in the presence of tetrabutylammonium bromide results in the formation of 5‐alkylidene derivatives of hydantoin under solvent‐free conditions.
ChemInform Abstract: Synthesis of Chiral 4,5‐Dihydrothiazol‐2‐amines and 4,5‐Dihydrooxazol‐2‐amines Through an Unexpected Ring Opening Reaction of Azetidines.
Authors: Zhou Xin , Xu Xingyu , Li Yi , Zhang Zhanbin , Zheng Zhi‐bing 
Published: June 2016

AbstractChiral azetidines (I) react with isocyanates or isothiocyanates to form the corresponding urea intermediates, which undergo a completely regio‐ and stereoselective ring opening reaction to furnish oxazoles (IV) or thiazoles (VI).
ChemInform Abstract: Synthesis of Oxadiazol‐5‐imines via the Cyclizative Capture of in situ Generated Cyanamide Ions and Nitrile Oxides.
Authors: Bhat Shreesha V. , Robinson David , Moses John E. , Sharma Pallavi 
Published: June 2016

AbstractFurther transformations of the title products into 1,2,4‐oxadiazol‐5‐(4H)‐ones as well as amidines are described.
ChemInform Abstract: An Enantioselective Assembly of Dihydropyranones Through an NHC/LiCl‐Mediated in situ Activation of α,β‐Unsaturated Carboxylic Acids.
Authors: Que Yonglei , Lu Yinan , Wang Wenjing , Wang Yuhong , Wang Haotian , Yu Chenxia , Li Tuanjie , Wang Xiang‐Shan , Shen Shide , Yao Changsheng 
Published: June 2016

AbstractOptimized conditions A) are highly suitable for the preparation of the important dihydropyran scaffold.
ChemInform Abstract: Merging Chiral Broensted Acid/Base Catalysis: An Enantioselective [4 + 2] Cycloaddition of o‐Hydroxystyrenes with Azlactones.
Authors: Zhang Yu‐Chen , Zhu Qiu‐Ning , Yang Xue , Zhou Lu‐Jia , Shi Feng 
Published: June 2016

AbstractA new cooperative catalytic system consisting of a chiral phosphoric acid and a chiral guanidine is used for the title cycloaddition to give access to biological important dihydrocoumarin scaffolds.
ChemInform Abstract: Green and Rapid Access to Benzocoumarins via Direct Benzene Construction Through Base‐Mediated Formal [4 + 2] Reaction and Air Oxidation.
Authors: Mou Chengli , Zhu Tingshun , Zheng Pengcheng , Yang Song , Song Bao‐An , Chi Yonggui Robin 
Published: June 2016

AbstractThe title procedure can be successfully applied to the construction of a broad spectrum of benzocoumarin derivatives starting from 3‐acetylcoumarins and unsaturated aldehydes (loss of acetic acid).
ChemInform Abstract: Acid‐Promoted Rapid Solvent‐Free Access to Substituted 1,4‐Dihydropyridines from β‐Ketothioamides.
Authors: Li Ming , Sun Ke‐Na , Wen Li‐Rong 
Published: June 2016

AbstractThe title pyridines are highly chemoselectively prepared by one‐pot three‐component reaction of β‐ketothioamides with various aldehydes and β‐enaminonitriles under mild reaction conditions.
ChemInform Abstract: Metal‐Free Assembly of Polysubstituted Pyridines from Oximes and Acroleins.
Authors: Huang Huawen , Cai Jinhui , Tang Lichang , Wang Zilong , Li Feifei , Deng Guo‐Jun 
Published: June 2016

AbstractThe metal catalyst free coupling of O‐acetyl ketoximes and α,β‐unsaturated aldehydes provides an efficient strategy for the synthesis of at least 2‐substituted pyridine derivatives.
ChemInform Abstract: Modified Procedure for the Synthesis of 2‐Chloroquinoline‐3‐carbaldehydes Using Phosphorus Pentachloride.
Authors: Romero Angel H. 
Published: June 2016

AbstractThe synthesis of the title compounds is carried out by the action of Vilsmeiers reagent on acetanilides using PCl5 as chlorinating agent in POCl3 solution, which is in situ generated by the reaction.
ChemInform Abstract: Palladium‐Catalyzed C—H Functionalization of Aromatic Oximes: A Strategy for the Synthesis of Isoquinolines.
Authors: Zhu Zhongzhi , Tang Xiaodong , Li Xianwei , Wu Wanqing , Deng Guohua , Jiang Huanfeng 
Published: June 2016

AbstractThe cross‐coupling of aryl oximes with aryl substituted vinyl azides to give 3‐substituted isoquinolines is reported.
ChemInform Abstract: Diversity Oriented Synthesis of β‐Carbolinone and Indolo‐Pyrazinone Analogues Based on an Ugi Four Component Reaction and Subsequent Cyclization of the Resulting Indole Intermediate.
Authors: Purohit Pooja , Pandey Anand Kumar , Kumar Brijesh , Chauhan Prem M. S. 
Published: June 2016

AbstractThe method is atom‐economic, operationally simple, high yielding, and rapid.
ChemInform Abstract: Kinetic Control of Rh(III)‐Catalyzed Annulation of C—H Bonds with Quinones: Chemoselective Synthesis of Hydrophenanthridinones and Phenanthridinones.
Authors: Yang Wei , Wang Jingyi , Wei Zhonglin , Zhang Qian , Xu Xianxiu 
Published: June 2016

AbstractThe annulation of amides (I) with quinones provides hydrophenanthridinones (IV), which can be aromatized upon treatment with Et3N/Tf2O to give phenanthridinones (III).
ChemInform Abstract: Novel Reaction of 3,4‐Dibromofuran with Azo Diesters to Give Tetrahydropyridazinones.
Authors: Aitken Kati M. , Aitken R. Alan , Slawin Alexandra M. Z. 
Published: June 2016

AbstractThe title compounds are prepared by Diels‐Alder reaction of dibromofuran with azo diesters followed by a novel rearrangement.
ChemInform Abstract: Asymmetric Hydrogenation of Vinylthioethers: Access to Optically Active 1,5‐Benzothiazepine Derivatives.
Authors: Li Wei , Schlepphorst Christoph , Daniliuc Constantin , Glorius Frank 
Published: June 2016

AbstractIn this novel approach, a Ru(II)‐NHC catalyst is used to chemoselectively hydrogenate thiazepinone derivatives in good to high yields and with excellent enantioselectivities.
ChemInform Abstract: A Palladium‐Catalyzed Carbonylation Approach to Eight‐Membered Lactam Derivatives with Antitumor Activity.
Authors: Mancuso Raffaella , Raut Dnyaneshwar S. , Marino Nadia , De Luca Giorgio , Giordano Cinzia , Catalano Stefania , Barone Ines , Ando Sebastiano , Gabriele Bartolo 
Published: June 2016

AbstractAniline substrates such as (I) and (V) bearing a terminal acetylene at the phenoxy part are suitable for the preparation of the target compounds in the presence of CO and alcohols under conditions A).
ChemInform Abstract: Trifluoromethylselenolation of Aryldiazonium Salts: A Mild and Convenient Copper‐Catalyzed Procedure for the Introduction of the SeCF3 Group.
Authors: Nikolaienko Pavlo , Rueping Magnus 
Published: June 2016

AbstractA highly efficient two‐step one‐pot approach to the desired products is developed which proceeds via formation of selenocyanates.
ChemInform Abstract: Progresses and Challenges in the Development of High‐Field Solenoidal Magnets Based on RE123 Coated Conductors
Authors: Senatore Carmine , Alessandrini Matteo , Lucarelli Andrea , Tediosi Riccardo , Uglietti Davide , Iwasa Yukikazu 
Published: June 2016

AbstractReview: (RE123: REBa2Cu3O7‐x with RE: rare earth element) state‐of‐ the‐art conductor and magnet technologies; 174 refs.
Frequency and Implications of Ischemia Prior to Ventricular Tachyarrhythmia in Patients Treated With a Wearable Cardioverter Defibrillator Following Myocardial Infarction
Authors: Kandzari David E. , Perumal Ramu , Bhatt Deepak L. 
Published: June 2016

ABSTRACTBackgroundAutopsy studies imply that recurrent myocardial infarction (MI) accounts for the majority of sudden death early after acute MI, rather than primary arrhythmia. However, diagnosis of recurrent MI by autopsy is challenging and excludes electrocardiographic data to adjudicate arrhythmic causes. We examined the frequency of ischemia prior to treated ventricular tachycardia/fibrillation (VT/VF) and outcomes in patients using the wearable cardioverter defibrillator (WCD) following acute MI.HypothesisPrimary arrhythmia, rather than ischemia, is a frequent contributor to sudden death following MI.MethodsAll patients treated for VT/VF over a 6‐year period while wearing a WCD following acute MI with advanced left ventricular dysfunction (ejection fraction ≤35%) were included. Patients with ST‐segment changes ≥0.1 mV before VT/VF were classified ischemic. Demographics and clinical outcomes were compared between those with ischemia‐mediated vs primary arrhythmia.ResultsAmong 273 patients fulfilling study criteria, 15.4% had ischemia prior to VT/VF. Clinical and WCD use characteristics did not significantly differ between ischemic and primary VT/VF groups. Termination of VT/VF by WCD treatment approximated 96% in both groups. Survival 24 hours post‐treatment was 88% and 84% (P = 0.54) for patients with and without ischemic VT/VF, respectively. Furthermore, 30‐day cumulative survival for those with and without ischemic VT/VF was 77% and 70%, respectively (P = 0.57).ConclusionsIschemia is an infrequent cause of VT/VF following MI, contradicting previous study conclusions that recurrent MI is responsible for most post‐MI sudden death. Etiology of VT/VF, however, did not influence defibrillation success or survival, which was high for both groups.
Identification of Ebsulfur Analogues with Broad‐Spectrum Antifungal Activity
Authors: Ngo Huy X. , Shrestha Sanjib K. , Garneau‐Tsodikova Sylvie 
Published: June 2016

AbstractInvasive fungal infections are on the rise due to an increased population of critically ill patients as a result of HIV infections, chemotherapies, and organ transplantations. Current antifungal drugs are helpful, but are insufficient in addressing the problem of drug‐resistant fungal infections. Thus, there is a growing need for novel antimycotics that are safe and effective. The ebselen scaffold has been evaluated in clinical trials and has been shown to be safe in humans. This makes ebselen an attractive scaffold for facile translation from bench to bedside. We recently reported a library of ebselen‐inspired ebsulfur analogues with antibacterial properties, but their antifungal activity has not been characterized. In this study, we repurposed ebselen, ebsulfur, and 32 additional ebsulfur analogues as antifungal agents by evaluating their antifungal activity against a panel of 13 clinically relevant fungal strains. The effect of induction of reactive oxygen species (ROS) by three of these compounds was evaluated. Their hemolytic and cytotoxicity activities were also determined using mouse erythrocytes and mammalian cells. The MIC values of these compounds were found to be in the range of 0.02–12.5 μg mL−1 against the fungal strains tested. Notably, yeast cells treated with our compounds showed an accumulation of ROS, which may further contribute to the growth‐inhibitory effect against fungi. This study provides new lead compounds for the development of antimycotic agents.
Subcellular organization of UBE3A in neurons
Authors: Burette Alain C. , Judson Matthew C. , Burette Susan , Phend Kristen D. , Philpot Benjamin D. , Weinberg Richard J. 
Published: June 2016

ABSTRACTUbiquitination regulates a broad array of cellular processes, and defective ubiquitination is implicated in several neurological disorders. Loss of the E3 ubiquitin–protein ligase UBE3A causes Angelman syndrome. Despite its clinical importance, the normal role of UBE3A in neurons is still unclear. As a step toward deciphering its possible functions, we performed high‐resolution light and electron microscopic immunocytochemistry. We report a broad distribution of UBE3A in neurons, highlighted by concentrations in axon terminals and euchromatin‐rich nuclear domains. Our findings suggest that UBE3A may act locally to regulate individual synapses while also mediating global, neuronwide influences through the regulation of gene transcription. J. Comp. Neurol. 525:233–251, 2017. © 2016 Wiley Periodicals, Inc.
The Importance of Vibronic Coupling for Efficient Reverse Intersystem Crossing in Thermally Activated Delayed Fluorescence Molecules
Authors: Gibson Jamie , Monkman Andrew P. , Penfold Thomas J. 
Published: June 2016

AbstractFactors influencing the rate of reverse intersystem crossing (krISC) in thermally activated delayed fluorescence (TADF) emitters are critical for improving the efficiency and performance of third‐generation heavy‐metal‐free organic light‐emitting diodes (OLEDs). However, present understanding of the TADF mechanism does not extend far beyond a thermal equilibrium between the lowest singlet and triplet states and consequently research has focused almost exclusively on the energy gap between these two states. Herein, we use a model spin‐vibronic Hamiltonian to reveal the crucial role of non‐Born‐Oppenheimer effects in determining krISC. We demonstrate that vibronic (nonadiabatic) coupling between the lowest local excitation triplet (3LE) and lowest charge transfer triplet (3CT) opens the possibility for significant second‐order coupling effects and increases krISC by about four orders of magnitude. Crucially, these simulations reveal the dynamical mechanism for highly efficient TADF and opens design routes that go beyond the Born‐Oppenheimer approximation for the future development of high‐performing systems.
Photochemical Water Oxidation Catalyzed by a Water‐Soluble Copper Phthalocyanine Complex
Authors: Terao Ryota , Nakazono Takashi , Parent Alexander Rene , Sakai Ken 
Published: June 2016

AbstractCopper tetrasulfonatophthalocyanine (CuPcTS) is reported to serve as a catalyst for photochemical water oxidation via a radical coupling mechanism. Chloride greatly inhibits the water oxidation rate as a result of axial chloride binding to CuPcTS, preventing formation of the Cu oxyl or hydroxyl intermediate required for O−O bond formation.
An Analytical Expression for the Electric Field and Particle Tracing in Modelling of Be Erosion Experiments at the JET ITER‐like Wall
Authors: Borodkina I. , Borodin D. , Kirschner A. , Tsvetkov I.V. , Kurnaev V.A. , Komm M. , Dejarnac R. , JET Contributors  
Published: June 2016

AbstractA new analytical approximation for the electric potential profile in the presence of an oblique magnetic field and the analytical solution for the particle motion just before the impact with a plasma‐facing surface are presented. These approximations are in good agreement with fluid solutions and the corresponding PIC simulations. These expressions were applied to provide effective physical erosion yields for Be, which have in a second step been used in ERO code simulations of spectroscopy at Be limiters of the JET ITER‐like wall. These new analytical expressions lead to an increase of the effective physical sputtering yields of Be by deuteron impact up to 30% in comparison with earlier pure numerical simulations. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Modeling of Linear Divertor Plasma Simulator Experiments with Three‐dimensional Target Structure by Using EMC3‐EIRENE Code
Authors: Kuwabara T. , Tanaka H. , Kawamura G. , Ohno N. , Nishikata H. , Kobayashi M. , Feng Y. 
Published: June 2016

AbstractWe have adapted the EMC3‐EIRENE code for modeling of a linear divertor plasma simulator in order to demonstrate plasma‐wall interactions with three‐dimensional (3D) effects. 3D distributions of hydrogen plasma and neutrals can be successfully calculated for four different types of target plates: a V‐shaped target, inclined targets with open and closed structures, and a planer target. Hydrogen atoms and molecules are accumulated more effectively in the V‐shaped target plate, leading to a higher electron density with lower electron temperature than the planar target plate. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Ecosystem multifunctionality in metacommunities
Authors: Thompson Patrick L. , Gonzalez Andrew 
Published: June 2016

AbstractEcosystem multifunctionality, the simultaneous production of multiple ecosystem functions, depends on community diversity, composition, productivity, and spatial scale. In metacommunities, each of these community properties is affected by how species disperse between local patches to track environmental change. Here we use a consumer–resource metacommunity model of resource competition to show how dispersal affects the link between diversity, composition, and ecosystem multifunctionality. When species differ in their functional traits and environmental niche, metacommunity multifunctionality becomes highly dependent upon dispersal, which allows community diversity to be maintained when environmental conditions change. Dispersal promotes multifunctionality in two ways: (1) species sorting, whereby species track local environmental changes by shifting in space, thus preserving diversity and ensuring high biomass productivity, and (2) mass effects, whereby source–sink dynamics allow species to persist in suboptimal environments, thus increasing local diversity. Changing the rate at which species disperse affects the strength of these metacommunity processes, and so metacommunity multifunctionality exhibits a unimodal relationship with dispersal, peaking when dispersal is intermediate. Species‐sorting dynamics also provide spatial insurance whereby compensatory dynamics stabilize the fluctuations of each function through time at the regional scale. However, this does not extend to the local scale, where species sorting results in high temporal variability for each function, even though the overall rates of multifunctionality are high. Our results suggest that metacommunity processes are important determinants of ecosystem multifunctionality, and thus effective management of multiple ecosystem functions requires consideration of landscape connectivity.
Throughput of a cooperative energy harvesting secondary user in cognitive radio networks
Authors: El Shafie Ahmed , Khattab Tamer 
Published: June 2016

AbstractThis paper investigates the maximum throughput of a rechargeable secondary user (SU) sharing the spectrum with a primary user (PU). The SU is assumed to be an energy harvesting node, which harvests energy packets from the environmental energy sources (e.g. solar, wind and acoustics) with a certain harvesting rate. The PU is equipped with a data buffer to store the randomly arrived data packets at its receiver. In addition to its own data buffer, the SU is equipped with another data buffer for storing the unsuccessfully decoded packets at the primary destination in a given time slot due to channel fading. Moreover, it has an energy buffer for storing the energy packets harvested from the environment. We propose a new cooperative cognitive relaying protocol that allows the SU to gain channel access when it relays a fraction of the undelivered primary packets. We consider an interference channel model [or a multipacket reception (MPR) channel model], where simultaneous transmissions can be decoded correctly at the corresponding destinations with certain decoding probabilities characterised by the complement of channel outages under interference. Our proposed protocol exploits the PU's data burstiness because of the random and sporadic packet arrival at its queue. Moreover, the proposed protocol takes advantage of the receivers' MPR capabilities. In addition, it efficiently expends the secondary energy packets under the objective of secondary throughput maximisation. Our numerical results show the benefits of cooperation, receivers' MPR capabilities and secondary energy queue arrival rate on the system's performance from a network layer standpoint. Copyright © 2016 John Wiley & Sons, Ltd.
Concentration–Response Modeling of ECG Data From Early‐Phase Clinical Studies as an Alternative Clinical and Regulatory Approach to Assessing QT Risk — Experience From the Development Program of Lemborexant
Authors: Murphy Patricia J. , Yasuda Sanae , Nakai Kenya , Yoshinaga Takashi , Hall Nancy , Zhou Meijian , Aluri Jagadeesh , Rege Bhaskar , Moline Margaret , Ferry Jim , Darpo Borje 
Published: June 2016

AbstractLemborexant is a novel dual orexin receptor antagonist being developed to treat insomnia. Its potential to cause QT prolongation was evaluated using plasma concentration–response (CR) modeling applied to data from 2 multiple ascending‐dose (MAD) studies. In the primary MAD study, placebo or lemborexant (2.5 to 75 mg) was administered for 14 consecutive nights. In another MAD study designed to “bridge” pharmacokinetic and safety data between Japanese and non‐Japanese subjects (J‐MAD), placebo or lemborexant (2.5, 10, or 25 mg) was administered for 14 consecutive nights. QT intervals were estimated using a high‐precision measurement technique and evaluated using a linear mixed‐effects CR model, for each study separately and for the pooled data set. When each study was analyzed separately, the slopes of the CR relationship were shallow and not statistically significant. In the pooled analysis, the slope of the CR relationship was –0.00002 milliseconds per ng/mL (90%CI, –0.01019 to 0.01014 milliseconds). The highest observed Cmax was 400 ng/mL, representing a margin 8‐fold above exposures expected for the highest planned clinical dose. The model‐predicted QTc effect at 400 ng/mL was 1.1 milliseconds (90%CI, –3.49 to 5.78 milliseconds). In neither the J‐MAD study nor the pooled analysis was an effect of race identified. CR modeling of data from early‐phase clinical studies, including plasma levels far exceeding those anticipated clinically, indicated that a QT effect >10 milliseconds could be excluded. Regulatory agreement with this methodology demonstrates the effectiveness of a CR modeling approach as an alternative to thorough QT studies.