bluuebunny/crossref_metadata_2025 huggingface dataset:
Parametric sensitivity analysis of precipitation at global and local scales in the Community Atmosphere Model CAM5
Authors: Qian Yun , Yan Huiping , Hou Zhangshuan , Johannesson Gardar , Klein Stephen , Lucas Donald , Neale Richard , Rasch Philip , Swiler Laura , Tannahill John , Wang Hailong , Wang Minghuai , Zhao Chun
Published: March 2015

We investigate the sensitivity of precipitation characteristics (mean, extreme, and diurnal cycle) to a set of uncertain parameters that influence the qualitative and quantitative behavior of cloud and aerosol processes in the Community Atmosphere Model (CAM5). We adopt both the Latin hypercube and Quasi‐Monte Carlo sampling approaches to effectively explore the high‐dimensional parameter space and then conduct two large sets of simulations. One set consists of 1100 simulations (cloud ensemble) perturbing 22 parameters related to cloud physics and convection, and the other set consists of 256 simulations (aerosol ensemble) focusing on 16 parameters related to aerosols and cloud microphysics. In the cloud ensemble, six parameters having the greatest influences on the global mean precipitation are identified, three of which (related to the deep convection scheme) are the primary contributors to the total variance of the phase and amplitude of the precipitation diurnal cycle over land. The extreme precipitation characteristics are sensitive to a fewer number of parameters. Precipitation does not always respond monotonically to parameter change. The influence of individual parameters does not depend on the sampling approaches or concomitant parameters selected. Generally, the Generalized Linear Model is able to explain more of the parametric sensitivity of global precipitation than local or regional features. The total explained variance for precipitation is primarily due to contributions from the individual parameters (75–90% in total). The total variance shows a significant seasonal variability in midlatitude continental regions, but very small in tropical continental regions.
Rupture termination at restraining bends: The last great earthquake on the Altyn Tagh Fault
Authors: Elliott Austin J. , Oskin Michael E. , Liu‐Zeng Jing , Shao Yanxiu
Published: March 2015

Strike‐slip rupture propagation falters where changes in fault strike increase Coulomb failure stress. Numerical models of this phenomenon offer predictions of rupture extent based on bend geometry, but have not been verified with field data. To test model predictions of rupture barriers, we examine rupture extent along a section of the sinistral Altyn Tagh Fault punctuated by three major double bends. We measure 3–8 m offsets and map >95 km of continuous scarps that define the most recent surface rupture. We document the eastern terminus of this rupture within the Aksay bend, where an undeformed Pleistocene alluvial fan we mapped and dated overlaps the fault. We conclude, based on this geomorphologic evidence, that multiple Holocene ruptures have stopped in the Aksay bend. Our field data validate model predictions of rupture termination at a >18° restraining bend and support use of geometric parameters to define expected earthquake sizes in seismic hazard models.
Addition‐Elimination of Aryldimethylaluminum Reagents to Vinylarenes Promoted by the Addition of a Ketone
Authors: Itami Kazuki , Tanaka Shota , Sunahara Kazuhiro , Tatsuta Go , Mori Atsunori
Published: March 2015

Addition‐elimination reactions of an arylaluminum reagent with vinylarenes is achieved mediated by a rhodium catalyst. The reaction of dimethyl(phenyl)aluminum with a rhodium(I) catalyst takes place to afford (E)‐stilbene. The reaction is promoted by the addition of ketone as an additive to give (E)‐stilbene in a quantitative yield. A nickel complex bearing cyclopentadienyl (Cp) and N‐heterocyclic carbene (NHC) ligands also catalyzes the reaction to afford 1,2‐diarylethenes accompanied by a small amount of the saturated byproduct, 1,2‐diarylethanes.
Ten Pillars to a Productive Mediation: An Attorney's Guide
Authors: Wiechmann Eric W.
Published: March 2015

Mediation of disputes is growing, as more courts looking to clear congested dockets suggest or command mediation during the course of a litigation, and more parties wary of the cost, time, uncertainty, and often publicity of a lawsuit seek a quicker and less expensive alternative.
Real‐Time Monitoring of Cancer Cell Metabolism and Effects of an Anticancer Agent using 2D In‐Cell NMR Spectroscopy
Authors: Wen He , An Yong Jin , Xu Wen Jun , Kang Keon Wook , Park Sunghyouk
Published: March 2015

Altered metabolism is a critical part of cancer cell properties, but real‐time monitoring of metabolomic profiles has been hampered by the lack of a facile method. Here, we propose real‐time metabolomic monitoring of live cancer cells using 13C6‐glucose and heteronuclear two‐dimensional (2D) NMR. The method allowed for metabolomic differentiation between cancer and normal cells on the basis of time‐dependent changes in metabolite concentrations. Cancer cells were found to have large in‐ and out‐flux of pyruvate as well as increased net production of alanine and acetate. The method also enabled evaluation of the metabolic effects of galloflavin whose anticancer effects have been attributed to its specific inhibition of lactate dehydrogenase. Our approach revealed previously unknown functional targets of galloflavin, which were further confirmed at the protein levels. Our method is readily applicable to the study of metabolic alterations in other cellular disease model systems.
Unexpected Chemistry from the Reaction of Naphthyl and Acetylene at Combustion‐Like Temperatures
Authors: Parker Dorian S. N. , Kaiser Ralf. I. , Bandyopadhyay Biswajit , Kostko Oleg , Troy Tyler P. , Ahmed Musahid
Published: March 2015

The hydrogen abstraction/acetylene addition (HACA) mechanism has long been viewed as a key route to aromatic ring growth of polycyclic aromatic hydrocarbons (PAHs) in combustion systems. However, doubt has been drawn on the ubiquity of the mechanism by recent electronic structure calculations which predict that the HACA mechanism starting from the naphthyl radical preferentially forms acenaphthylene, thereby blocking cyclization to a third six‐membered ring. Here, by probing the products formed in the reaction of 1‐ and 2‐naphthyl radicals in excess acetylene under combustion‐like conditions with the help of photoionization mass spectrometry, we provide experimental evidence that this reaction produces 1‐ and 2‐ethynylnaphthalenes (C12H8), acenaphthylene (C12H8) and diethynylnaphthalenes (C14H8). Importantly, neither phenanthrene nor anthracene (C14H10) was found, which indicates that the HACA mechanism does not lead to cyclization of the third aromatic ring as expected but rather undergoes ethynyl substitution reactions instead.
Direct Observation of Ca2+‐Induced Calmodulin Conformational Transitions in Intact Xenopus laevis Oocytes by 19F NMR Spectroscopy
Authors: Ye Yansheng , Liu Xiaoli , Xu Guohua , Liu Maili , Li Conggang
Published: March 2015

The Ca2+‐mediated conformational transition of the protein calmodulin (CaM) is essential to a variety of signal transduction pathways. Whether the transition in living cells is similar to that observed in buffer is not known. Here, we report the direct observation by 19F NMR spectroscopy of the transition of the Ca2+‐free and ‐bound forms in Xenopus laevis oocytes at different Ca2+ levels. We find that the Ca2+‐bound CaM population increased greatly upon binding the target protein myosin light‐chain kinase (MLCK) at the same Ca2+ level. Paramagnetic NMR spectroscopy was also exploited for the first time to obtain long‐range structural constraints in cells. Our study shows that 19F NMR spectroscopy can be used to obtain long‐range structural constraints in living eukaryotic cells and paves the way for quantification of protein binding constants.
Synthesis and Characterization of Tricarbastannatranes and Their Reactivity in B(C6F5)3‐Promoted Conjugate Additions
Authors: Kavoosi Azadeh , Fillion Eric
Published: March 2015

The synthesis and characterization of a series of tricarbastannatranes, in the solid state and in solution, are described. The structures of the complexes [N(CH2CH2CH2)3Sn](BF4), [N(CH2CH2CH2)3Sn](SbF6), [N(CH2CH2CH2)3Sn]4[(SbF6)3Cl], and [(N(CH2CH2CH2)3Sn)2OH][MeB(C6F5)3] were determined by X‐ray crystallography. Furthermore, the B(C6F5)3‐promoted conjugate addition of alkyl‐tricarbastannatranes to benzylidene derivatives of Meldrum’s acid was investigated, and detailed mechanistic studies are presented.
Zero‐order release three‐layered tablet with an acemetacin solid dispersion core and a hydroxypropyl methylcellulose capped matrix
Authors: Qi Xiaole , Jiang Yujie , Li Xiangbo , Zhang Ziwei , Wu Zhenghong
Published: March 2015

The purpose of this study was to prepare a three‐layered tablet with hydroxypropyl methylcellulose (HPMC) polymers as a capped matrix to achieve a zero‐order release for acemetacin. As the middle active core, a solid dispersion in poly(vinyl pyrrolidone)–K30 polymers was manufactured via a solvent method to improve the solubility of acemetacin. A Box–Behnken design was used to optimize the formula, when the amounts of HPMC in the middle layer, HPMC in the external layer, and mannitol in the middle layer were chosen as the influencing factors. The dissolution profiles of the optimized formula exhibited superior fitting to the zero‐order release in 24 h. A bioavailability experiment was carried out by the administration of those three‐layered tablets to rabbits and their comparison with market Gaoshunsong controlled release capsules. The delayed time to reach the maximum plasma concentration, decreased the maximum plasma concentration, area under the plasma concentration‐time curve (0–48 h) AUC0–48, and area under the plasma concentration‐time curve (0–∞) AUC0–∞ were 9.33 ± 2.51 h, 8.59 ± 0.94 µg/mL, 200.81 ± 11.36 µg h/mL, and 212.902 ± 31.66 µg h/mL, respectively. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42059.
Composite chitosan/poly(ethylene oxide) electrospun nanofibrous mats as novel wound dressing matrixes for the controlled release of drugs
Authors: Cheng Feng , Gao Jing , Wang Lu , Hu Xingyou
Published: March 2015

The aim of this study was to develop novel biomedical electrospun nanofiber mats for controlled drug release, in particular to release a drug directly to an injury site to accelerate wound healing. Here, nanofibers of chitosan (CS), poly(ethylene oxide) (PEO), and a 90 : 10 composite blend, loaded with a fluoroquinolone antibiotic, such as ciprofloxacin hydrochloride (CipHCl) or moxifloxacin hydrochloride (Moxi), were successfully prepared by an electrospinning technique. The morphology of the electrospun nanofibers was investigated by scanning electron microscopy. The functional groups of the electrospun nanofibers before and after crosslinking were characterized by Fourier transform infrared spectroscopy. X‐ray diffraction results indicated an amorphous distribution of the drug inside the nanofiber blend.In vitrodrug‐release evaluations showed that the crosslinking could control the rate and period of drug release in wound‐healing applications. The inhibition of bacterial growth for bothEscherichia coliandStaphylococcus aureuswere achieved on the CipHCl‐ and Moxi‐loaded nanofibers. In addition, both types of CS/PEO and drug‐containing CS/PEO nanofibers showed excellent cytocompatibility in the cytotoxicity assays. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2015,132, 42060.
Thermal aging and accelerated weathering of PVC/MMT nanocomposites: Structural and morphological studies
Authors: Pagacz Joanna , Chrzanowski Michał , Krucińska Izabella , Pielichowski Krzysztof
Published: March 2015

This work focuses on the influence of weathering factors—UV radiation, humidity, and temperature on the structure and morphology of poly(vinyl chloride)/montmorillonite (PVC/MMT) nanocomposites obtained by melt blending. It has been observed that organically modified MMT (OMMT) deteriorates the weathering resistance, the thermal behavior, as well as the long‐term stability of PVC. Decomposition of the organic modifier of MMT causes substantial color changes in the PVC nanocomposites as it facilitates the dehydrochlorination process of the polymer. However, the nonmodified MMT provides some stabilization during PVC weathering. The nanocomposites after annealing are characterized by higher glass transition temperature. The increase in heat capacity step (Δcp) during glass transition suggests that in the PVC composites with nonmodified MMT stronger molecular interactions between the polymer and clay platelets occur than in PVC/OMMT nanocomposites. The scanning electron microscopy images on the surface and the cross section show that thermal aging and weathering proceed by different mechanisms. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42090.
Allais from Experience: Choice Consistency, Rare Events, and Common Consequences in Repeated Decisions
Authors: Harman Jason L. , Gonzalez Cleotilde
Published: March 2015

The Allais Paradox is a well‐known bias in which people's preferences result in contradictory choices between two normatively identical gamble pairs. Studies have shown that these preference reversals depend on how information is described and presented. In an experiment, we investigate the Allais gambles in several formats including an experiential paradigm, where participants make selections from two blank buttons and get an outcome as a result of a draw from distributions of outcomes in the selected gamble. Results indicate that a large proportion of Allais reversals are found in the traditional descriptive format, they are reduced when gambles are presented in a descriptive table format, and they disappear when choices are made from experience. Although a majority of participants made consistent choices from experience, the proportion of individual reversals is similar to that of descriptive choices. Detailed analyses of experiential choice suggest interesting behavioral differences between participants classified as consistent and those classified as reversals: consistent participants explore and maximize more than reversal participants. Furthermore, consistent participants demonstrate a different switching behavior after experiencing a rare outcome than do reversal participants. We find that, both, overweighting or underweighting of rare outcomes may occur within the course of an individual's experience; depending on the timing of those experiences, the magnitude of the outcomes observed, and the general accumulated value of the gambles. Copyright © 2015 John Wiley & Sons, Ltd.
Integrating bio‐inorganic and analytical chemistry into an undergraduate biochemistry laboratory
Authors: Erasmus Daniel J. , Brewer Sharon E. , Cinel Bruno
Published: March 2015

Undergraduate laboratories expose students to a wide variety of topics and techniques in a limited amount of time. This can be a challenge and lead to less exposure to concepts and activities in bio‐inorganic chemistry and analytical chemistry that are closely‐related to biochemistry. To address this, we incorporated a new iron determination by atomic absorption spectroscopy exercise as part of a five‐week long laboratory‐based project on the purification of myoglobin from beef. Students were required to prepare samples for chemical analysis, operate an atomic absorption spectrophotometer, critically evaluate their iron data, and integrate these data into a study of myoglobin. © 2015 by The International Union of Biochemistry and Molecular Biology, 43(2):121–125, 2015.
Fast prototyping of image processing application on android platform focused on PDF417 decoder
Authors: Ahmad Maqsood , Bajwa Khalid Bashir , Saleem Rashid , Umer F.
Published: March 2015

Dedicated Hardware for two dimensional (2D) barcodes is used in numerous applications depending on the levels of preserving data in complex format. These modules are complex in their design and also take considerable amount of time for their development, testing and verification both at software and hardware levels. On the other hand, modern android mobile/tablets are ready to use hardware platform that fulfills all the essential hardware requirements to implement the extraction of barcodes. Additionally, they got the capability to run the complex image processing algorithms on application level, which increases the prototyping speed considerably for 2D barcode implementation. In order to reduce the algorithm complexity further, different techniques have been devised on hardware level such as light conditioning and orientation, placement of barcode and distance from the camera. The system has been effectively deployed for the decoding of PDF 417 codes on student university cards at the university. © 2015 Wiley Periodicals, Inc. Comput Appl Eng Educ 23:596–602, 2015; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21630
Structural Analysis Reveals the Substrate‐Binding Mechanism for the Expanded Substrate Specificity of Mutant meso‐Diaminopimelate Dehydrogenase
Authors: Liu Weidong , Guo Rey‐Ting , Chen Xi , Li Zhe , Gao Xiuzhen , Huang Chun‐Hsiang , Wu Qiaqing , Feng Jinhui , Zhu Dunming
Published: March 2015

A meso‐diaminopimelate dehydrogenase (DAPDH) from Clostridium tetani E88 (CtDAPDH) was found to have low activity toward the D‐amino acids other than its native substrate. Site‐directed mutagenesis similar to that carried out on the residues mutated by Vedha‐Peters et al. resulted in a mutant enzyme with highly improved catalytic ability for the synthesis of D‐amino acids. The crystal structures of the CtDAPDH mutant in apo form and in complex with meso‐diaminopimelate (meso‐DAP), D‐leucine (D‐leu), and 4‐methyl‐2‐oxopentanoic acid (MOPA) were solved. meso‐DAP was found in an area outside the catalytic cavity; this suggested a possible two‐step substrate‐binding mechanism for meso‐DAP. D‐leu and MOPA each bound both to Leu154 and to Gly155 in the open form of CtDAPDH, and structural analysis revealed the molecular basis for the expanded substrate specificity of the mutant meso‐diaminopimelate dehydrogenases.
Sieving Effects in Electrical Double‐Layer Capacitors Based on Neat [Al(hfip)4]− and [NTf2]− Ionic Liquids
Authors: Roznyatovskaya Nataliya , Rupp Alexander B. A. , Tübke Jens , Krossing Ingo
Published: March 2015

We present an electrochemical investigation into ionic liquids (ILs) based on [Al(hfip)4]− and [NTf2]− anions as electrolytes in supercapacitors. The synthesis of [Al(hfip)4]− ILs was improved to minimize the water content for electrochemical measurements. Several electrodes with different pore sizes from micropores to macropores were prepared. Impedance and cyclic voltammetry studies of eight ILs were conducted with the electrodes and revealed that, despite their close‐to‐ideal transport properties, [Al(hfip)4]− ILs suffer from a sieving effect in the case of micropores, which leads to a sharp drop in capacitance compared with [NTf2]− ILs. When the influence of the size is abrogated at meso‐ or macroporous electrodes, the aluminate salts become competitive in terms of capacitance and show that, without a sieving effect, their basic properties in principal make them suitable electrolytes as well.
Binding Energies of the π‐Stacked Anisole Dimer: New Molecular Beam—Laser Spectroscopy Experiments and CCSD(T) Calculations
Authors: Řezáč Jan , Nachtigallová Dana , Mazzoni Federico , Pasquini Massimiliano , Pietraperzia Giangaetano , Becucci Maurizio , Müller‐Dethlefs Klaus , Hobza Pavel
Published: March 2015

Among noncovalent interactions, π–π stacking is a very important binding motif governed mainly by London dispersion. Despite its importance, for instance, for the structure of bio‐macromolecules, the direct experimental measurement of binding energies in π–π stacked complexes has been elusive for a long time. Only recently, an experimental value for the binding energy of the anisole dimer was presented, determined by velocity mapping ion imaging in a two‐photon resonant ionisation molecular beam experiment. However, in that paper, a discrepancy was already noted between the obtained experimental value and a theoretical estimate. Here, we present an accurate recalculation of the binding energy based on the combination of the CCSD(T)/CBS interaction energy and a DFT‐D3 vibrational analysis. This proves unambiguously that the previously reported experimental value is too high and a new series of measurements with a different, more sensitive apparatus was performed. The new experimental value of 1800±100 cm−1 (5.15±0.29 kcal mol−1) is close to the present theoretical prediction of 5.04±0.40 kcal mol−1. Additional calculations of the properties of the cationic and excited states involved in the photodissociation of the dimer were used to identify and rationalise the difficulties encountered in the experimental work.
Hierarchically Designed Three‐Dimensional Macro/Mesoporous Carbon Frameworks for Advanced Electrochemical Capacitance Storage
Authors: Yang Yanbing , Li Peixu , Wu Shiting , Li Xinyang , Shi Enzheng , Shen Qicang , Wu Dehai , Xu Wenjing , Cao Anyuan , Yuan Quan
Published: March 2015

Mesoporous carbon (m‐C) has potential applications as porous electrodes for electrochemical energy storage, but its applications have been severely limited by the inherent fragility and low electrical conductivity. A rational strategy is presented to construct m‐C into hierarchical porous structures with high flexibility by using a carbon nanotube (CNT) sponge as a three‐dimensional template, and grafting Pt nanoparticles at the m‐C surface. This method involves several controllable steps including solution deposition of a mesoporous silica (m‐SiO2) layer onto CNTs, chemical vapor deposition of acetylene, and etching of m‐SiO2, resulting in a CNT@m‐C core–shell or a CNT@m‐C@Pt core–shell hybrid structure after Pt adsorption. The underlying CNT network provides a robust yet flexible support and a high electrical conductivity, whereas the m‐C provides large surface area, and the Pt nanoparticles improves interfacial electron and ion diffusion. Consequently, specific capacitances of 203 and 311 F g−1 have been achieved in these CNT@m‐C and CNT@m‐C@Pt sponges as supercapacitor electrodes, respectively, which can retain 96 % of original capacitance under large degree compression.
Transition‐Metal‐Free Coupling Reaction of Vinylcyclopropanes with Aldehydes Catalyzed by Tin Hydride
Authors: Ieki Ryosuke , Kani Yuria , Tsunoi Shinji , Shibata Ikuya
Published: March 2015

Donor–acceptor cyclopropanes are useful building blocks for catalytic cycloaddition reactions with a range of electrophiles to give various cyclic products. In contrast, relatively few methods are available for the synthesis of homoallylic alcohols through coupling of vinylcyclopropanes (VCPs) with aldehydes, even with transition‐metal catalysts. Here, we report that the hydrostannation of vinylcyclopropanes (VCPs) was effectively promoted by dibutyliodotin hydride (Bu2SnIH). The resultant allylic tin compounds reacted easily with aldehydes. Furthermore, the use of Bu2SnIH was effectively catalytic in the presence of hydrosilane as a hydride source, which established a coupling reaction of VCPs with aldehydes for the synthesis of homoallylic alcohols without the use of transition‐metal catalysts. In contrast to conventional catalytic reactions of VCPs, the presented method allowed the use of several VCPs in addition to conventional donor–acceptor cyclopropanes.
ChemInform Abstract: Formation and Stability of Gaseous Ternary Oxides of Group 14‐16 Elements and Related Oxides of Group 15 Elements: Mass Spectrometric and Quantum Chemical Study.
Authors: Kunkel Katerina , Milke Edgar , Binnewies Michael
Published: March 2015

The formation of the new compounds PbTeO3, PbTe2O5, Pb2TeO4, and Pb2Te2O6 is observed in the gas phase by heating a mixture of solid PbO and TeO2 at 1063 K using a mass‐spectrometric Knudsen‐cell method.
ChemInform Abstract: Zr4CuSb7 — A PbFCl‐Related Polyantimonide, and Structure Relations of Zirconium‐Transition Metal Polyantimonides.
Authors: Greiwe Magnus , Nilges Tom
Published: March 2015

Single crystals of Zr4CuSb7 are obtained by arc‐melting of the elements with 10 % Sb excess followed by annealing (evacuated quartz tubes, 1123 K, 3 d).
ChemInform Abstract: Strong Electron Hybridization and Fermi‐to‐Non‐Fermi Liquid Transition in LaCu3Ir4O12.
Authors: Greenblatt Martha , et al. et al.
Published: March 2015

The AA′3B4O12‐type perovskite LaCu3Ir4O12 is prepared by high pressure solid state reaction of a stoichiometric mixture of La2O3, CuO, Ir powder, and IrO2 (Pt capsule in MgO crucible, multianvil press, 9 GPa, 1523 K, 1 h).
ChemInform Abstract: Synthesis, Crystal Structure and Properties of a New Barium Calcium Borate, Ba2Ca2(B2O5)2.
Authors: Liu Lu , Zhang Fangfang , Pan Shilie , Lei Chen , Zhang Fangyuan , Dong Xiaoyu , Wang Zheng , Yu Hongwei , Yang Zhihua
Published: March 2015

The new title compound is synthesized by solid state reaction of stoichiometric mixtures of Ba(NO3)2, CaO, and H3BO3 (500 °C for 7 h followed by 900 °C for 72 h).
ChemInform Abstract: Synthesis and Characterization of a Novel Inorganic—Organic Hybrid Open‐Framework Zinc Phosphate with 16‐Ring Channels.
Authors: Wang Guo‐Ming , Li Jin‐Hua , Gao Cui‐Li , Zhang Jun‐Cheng , Zhang Xiao , Bao Zhen‐Zhen , Wang Ying‐Xia , Lin Jian‐Hua
Published: March 2015

Microporous (NH4) [Zn5(PO4)3(HPO4)2 (HAPIM)2]·(H2O) is solvothermally prepared in the presence of 1‐(3‐aminopropyl)imidazole (APIM) as structure‐directing agent using ZnO, H3PO4, APIM, MeOH, and H2O in the molar ratio 2:3.1:2:86.5:139 (autoclave, 160 °C, 6 d, 46% yield).
ChemInform Abstract: Cs2Hg3S4: A Low‐Dimensional Direct Bandgap Semiconductor.
Authors: Kanatzidis Mercouri G. , et al. et al.
Published: March 2015

The new title compound is prepared by slowly cooling a melted stoichiometric mixture of Hg and Cs2S4 (evacuated, carbon coated silica tube, 670 °C, 24 h).
ChemInform Abstract: Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.
Authors: Choi Junwon , Martin‐Gago Pablo , Fu Gregory C.
Published: March 2015

Nickel‐catalyzed stereoconvergent Negishi arylations and alkenylations of racemic α‐bromosulfones and ‐sulfonamides are described.
ChemInform Abstract: Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π‐Acceptor Ability and Catalytic Activity in the Rhodium‐Catalyzed Conjugate Additions.
Authors: Lee Ansoo , Ahn Seihwan , Kang Kyungjun , Seo Min‐Seob , Kim Yeonjoon , Kim Woo Youn , Kim Hyunwoo
Published: March 2015

Ligand BRI in combination with a rhodium catalyst gives the best results for the conjugate additions of N‐tosyl ketimines with arylboronic acids.
ChemInform Abstract: Transfer Hydrogenation of Ketones to Alkanes Using Tributylamine under Heterogeneous Pd/C Catalysis.
Authors: Kim Tae Gyun , Cho Chan Sik , Kim Young‐su
Published: March 2015

The Pd‐catalyzed transfer hydrogenation of aryl ketones with tributylamine leads to corresponding alkanes (II), whilst the similar reaction of dialkyl ketone (Ii) fails.
ChemInform Abstract: One‐Step Synthesis of 1‐Chloro‐3‐arylacetone Derivatives from Arylacetic Acids.
Authors: Zacuto Michael J. , Dunn Robert F. , Figus Margaret
Published: March 2015

Application of this method is demonstrated by the total synthesis of cimiracemate B (IV).
ChemInform Abstract: General Suzuki Coupling of Heteroaryl Bromides by Using Tri‐tert‐Butylphosphine as a Supporting Ligand.
Authors: Zou Yinjun , Yue Guizhou , Xu Jianwei , Zhou Jianrong Steve
Published: March 2015

High yields are obtained within 5 minutes reaction time at room temperature.
ChemInform Abstract: Phosphine‐Free Tetradentate Salicylaldimine Ligand Complexed with Palladium: First Application in Heck Reactions.
Authors: Kalhapure Rahul S. , Govender Thirumala , Akamanchi Krishnacharya G.
Published: March 2015

Advantages of the introduced method are mild reaction conditions, short reaction times and low palladium loading.
ChemInform Abstract: Amidation of Esters with Amino Alcohols Using Organobase Catalysis.
Authors: Caldwell Nicola , Campbell Peter S. , Jamieson Craig , Potjewyd Frances , Simpson Iain , Watson Allan J. B.
Published: March 2015

BEMP is an efficient catalyst for reactions of amino alcohols with dimethyl carbonate and a variety of methyl esters.
ChemInform Abstract: A General, Regiospecific Synthetic Route to Perfluoroalkylated Arenes via Arenediazonium Salts with RFCu(CH3CN) Complexes.
Authors: Jiang Dong‐Fang , Liu Chao , Guo Yong , Xiao Ji‐Chang , Chen Qing‐Yun
Published: March 2015

Arylamines can be converted into perfluoroalkylated arenes (III) under mild conditions.
ChemInform Abstract: Developing Pd(II) Catalyzed Double sp3 C—H Alkoxylation for Synthesis of Symmetric and Unsymmetric Acetals.
Authors: Zong Yu , Rao Yu
Published: March 2015

This is an efficient method for the preparation of acetals via sequential double C—H alkoxylation of unactivated methyl groups.
ChemInform Abstract: Copper‐Free Direct C—H Trifluoromethylation of Acetanilides with Sodium Trifluoromethanesulfinate.
Authors: Wu Mingxi , Ji Xinfei , Dai Wenpeng , Cao Song
Published: March 2015

Langlois reagent (II) is tested under conditions A) in the reactions with 4‐substituted acetanilides bearing either electron‐donating or electron‐withdrawing groups.
ChemInform Abstract: Mild, Stereoselective, and Highly Efficient Synthesis of N‐Acylhydrazones Mediated by CeCl3·7H2O in a Broad Range of Solvents.
Authors: dos Santos Filho Jose Mauricio
Published: March 2015

The catalyst is active in various protic and aprotic solvents including water, but EtOH is the medium of choice.
ChemInform Abstract: Highly Enantioselective Reactions of Cyclohexanone and β,γ‐Unsaturated α‐Keto Ester: The Tuning of Chemo‐Selectivities by Secondary and Primary Amine Catalysts.
Authors: Wei Jianwei , Guo Wengang , Zhou Xin , Du Xin , Liu Yan , Li Can
Published: March 2015

Amphiphilic imidazole based secondary and primary amine catalysts show different chemoselectivity in the title reaction.
ChemInform Abstract: Copper‐Catalyzed Cascade Transformation of O‐Propargylic Oximes with Sulfonyl Azides to α,β‐Unsaturated N‐Acylamidines.
Authors: Zhang Dong , Nakamura Itaru , Terada Masahiro
Published: March 2015

The title reaction involves the intramolecular attack of the oxime group to the in situ generated ketenimine moiety, followed by cleavage of the N—O bond.
ChemInform Abstract: A Concise Synthesis of 2‐(2‐Hydroxyphenyl)acetonitriles (III) via the o‐Quinone Methides Generated from 2‐(1‐Tosylalkyl)phenols (I).
Authors: Wu Bo , Gao Xiang , Chen Mu‐Wang , Zhou Yong‐Gui
Published: March 2015

The title compounds (III) can be conveniently transformed into benzofuranones (IV).
ChemInform Abstract: Pd‐Free Sonogashira Coupling: One Pot Synthesis of Phthalide via Domino Sonogashira Coupling and 5‐exo‐dig Cyclization.
Authors: Dhara Shubhendu , Singha Raju , Ghosh Munmun , Ahmed Atiur , Nuree Yasin , Das Anuvab , Ray Jayanta K.
Published: March 2015

Phthalides are synthesized using a short and efficient methodology under mild conditions.
ChemInform Abstract: Palladium‐Catalyzed Regioselective 5‐exo‐O‐Cyclization/Oxidative Heck Cascades from o‐Alkynylbenzamides and Electron‐Deficient Alkenes.
Authors: Madich Youssef , Alvarez Rosana , Aurrecoechea Jose M.
Published: March 2015

A regioselectivity switch between 5‐exo‐dig and 6‐endo cyclization / Heck‐type coupling cascades of o‐alkynylbenzamides and electron‐deficient alkenes is triggered by the choice of both palladium catalyst and base.
ChemInform Abstract: Direct Synthesis of Diverse 2‐Aminobenzo[b]thiophenes via Palladium‐Catalyzed Carbon—Sulfur Bond Formation Using Na2S2O3 as the Sulfur Source.
Authors: Hou Chuanwei , He Qian , Yang Chunhao
Published: March 2015

2‐Bromoarylacetonitriles are directly converted into 2‐amino and 2‐dimethylamino substituted benzothiophenes using the odorless sulfur source Na2S2O3.
ChemInform Abstract: Autotandem Catalysis: Synthesis of Pyrroles by Gold‐Catalyzed Cascade Reaction.
Authors: Ueda Hirofumi , Yamaguchi Minami , Kameya Hiroshi , Sugimoto Kenji , Tokuyama Hidetoshi
Published: March 2015

New addition‐cyclization sequence for the synthesis of multisubstituted pyrroles is reported.
ChemInform Abstract: The “One‐Pot” Synthesis of 4,5‐Dihydrobenzo[g]indole and Its 1‐Vinyl Derivative from 1‐Tetralone, Hydroxylamine, and Dichloroethane in the System KOH—DMSO.
Authors: Ivanov A. V. , Barnakova V. S. , Mikhaleva A. I. , Trofimov B. A.
Published: March 2015

An environmentally‐friendly, fire‐safe, and explosion‐proof route to previously difficult accessible benzoindole derivatives is developed.
ChemInform Abstract: Synthesis of Substituted 2‐Aminoimidazoles via Pd‐Catalyzed Alkyne Carboamination Reactions. Application to the Synthesis of Preclathridine Natural Products.
Authors: Zavesky Blane P. , Babij Nicholas R. , Wolfe John P.
Published: March 2015

New strategy for the construction of 2‐aminoimidazoles via the Pd‐catalyzed alkyne carboamination of tosyl‐protected N‐propargyl guanidines and aryl triflates is reported.
ChemInform Abstract: A Fast Way to Fluorescence: A Fourfold Domino Reaction to Condensed Polycyclic Compounds.
Authors: Tietze Lutz F. , Eichhorst Christoph , Hungerland Tim , Steinert Markus
Published: March 2015

A fourfold domino Sonogashira/double‐carbopalladation/C—H activation reaction allows the synthesis of polycyclic compounds that show strong fluorescence activity.
ChemInform Abstract: Application and Scope of Schreiber′s Gold(I)‐Catalyzed α‐Pyrone Synthesis to Ring A Aromatic Podolactones.
Authors: Sanchez‐Larios Eduardo , Giacometti Robert D. , Hanessian Stephen
Published: March 2015

The title reaction of diynes of type (I) and (III) is examined to give α‐pyrones in good to moderate yields.
ChemInform Abstract: Enantioselective C—H Bond Addition of Pyridines to Alkenes Catalyzed by Chiral Half‐Sandwich Rare‐Earth Complexes.
Authors: Song Guoyong , Wylie W. N. O. , Hou Zhaomin
Published: March 2015

Several catalysts are synthesized and tested in these reactions.
ChemInform Abstract: Interrupted Imino‐Nazarov Cyclization of 1‐Aminopentadienyl Cation and Related Cascade Process.
Authors: William Ronny , Wang Siming , Ding Feiqing , Arviana Elise Nerissa , Liu Xue‐Wei
Published: March 2015

The Lewis acid catalyzed condensations of aldehyde (I) with secondary aniline derivatives involve the formation of an oxyallyl intermediate which undergoes intramolecular arene trapping to form tricyclic indoline‐fused cyclopentanones (VI) and (VII).
ChemInform Abstract: Mn(III)‐Mediated Reactions of 2‐Isocyanobiaryl with 1,3‐Dicarbonyl Compounds: Efficient Synthesis of 6‐Alkylated and 6‐Monofluoro‐Alkylated Phenanthridines.
Authors: Cao Jia‐Jia , Wang Xiang , Wang Shun‐Yi , Ji Shun‐Jun
Published: March 2015

An efficient method for the synthesis of the title phenanthridines by reactions of 2‐isocyanobiaryl with 1,3‐dicarbonyl compounds is presented.
ChemInform Abstract: Copper‐Catalyzed Aerobic Oxidative Dehydrogenation for Conversion of 2‐(alkylthio)‐1,4‐Dihydropyrimidines to 2‐(alkylthio)Pyrimidines.
Authors: Phan Nguyen Huu Trong , Sohn Jeong‐Hun
Published: March 2015

For the presented approach no further additives like oxidants, acids, or bases are required.
ChemInform Abstract: Asymmetric Synthesis of N,O‐Heterocycles via Enantioselective Iridium‐Catalyzed Intramolecular Allylic Amidation.
Authors: Zhao Depeng , Fananas‐Mastral Martin , Chang Mu‐Chieh , Otten Edwin , Feringa Ben L.
Published: March 2015

The products are obtained in high yields and excellent enantioselectivity.
ChemInform Abstract: Room Temperature Alkynylation of H‐Phosphi(na)tes and Secondary Phosphine Oxides with Ethynylbenziodoxolone (EBX) Reagents.
Authors: Chen C. Chun , Waser Jerome
Published: March 2015

The alkynylation of the title organophosphorus compounds with silyl, aryl, or alkyl ethynyl‐benziodoxolone derivatives proceeds under metal‐free, mild, and aerobic conditions.
ChemInform Abstract: A Recyclable Biphasic System for Stereoselective and Easily Handled Hydrochalcogenations.
Authors: Tidei Caterina , Sancineto Luca , Bagnoli Luana , Battistelli Benedetta , Marini Francesca , Santi Claudio
Published: March 2015

(Z)‐configured vinyl selenides and sulfides are prepared from alkynes and the corresponding dichalcogenides.
ChemInform Abstract: Two New Sesquiterpenoids from the Rhizomes of Curcuma xanthorrhiza.
Authors: Zhang Chun‐Mei , Fan Pei‐Hong , Li Min , Lou Hong‐Xiang
Published: March 2015

isolation and structure elucidation of two new sesquiterpenoids, zedoaridol (I) and bisaboladiene derivative (II), together with six known compounds
ChemInform Abstract: Iridoid Glycosides from the Roots of Scrophularia ningpoensis Hemsl.
Authors: Zhu Ling‐Juan , Qiao Cheng , Shen Xiu‐Yu , Zhang Xue , Yao Xin‐Sheng
Published: March 2015

The two new iridoid glycosides scrophularianoids A (I) and B (II) are isolated from the roots of Scrophularia ningpoensis.
ChemInform Abstract: Chemical and Genetic Studies on Hybrid of Ligularia subspicata and Ligularia cyathiceps Collected in Yunnan Province of China.
Authors: Shimizu Anna , Watanabe Shizuka , Hanai Ryo , Okamoto Yasuko , Tori Motoo , Gong Xun , Kuroda Chiaki
Published: March 2015

Five Ligularia samples are analyzed and twenty compounds, including two new compounds (I) and (II), are isolated.
ChemInform Abstract: Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954.
Authors: Umeyama Akemi , et al. et al.
Published: March 2015

Opaliferin (I) is isolated from the title species and its structure and absolute configuration is established.
ChemInform Abstract: Activation of Small Molecules by Molecular Uranium Complexes
Authors: La Pierre Henry S. , Meyer Karsten
Published: March 2015

Review: 355 refs.
ChemInform Abstract: Recent Advances in Asymmetric Catalytic Methods for the Formation of Acyclic α,α‐Disubstituted α‐Amino Acids
Authors: Metz Alison E. , Kozlowski Marisa C.
Published: March 2015

Review: [71 refs.
ChemInform Abstract: Diversity‐Oriented Synthesis of Fused‐Imidazole Derivatives via Groebke—Blackburn—Bienayme Reaction: A Review
Authors: Devi Nisha , Rawal Ravindra K. , Singh Virender
Published: March 2015

Review: [106 refs.
ChemInform Abstract: Synthesis, Reactions and Biological Activities of Furochromones: A Review
Authors: Abu‐Hashem Ameen A. , El‐Shazly Mohamed
Published: March 2015

Review: 134 refs.
ChemInform Abstract: Synthesis of Indazole Motifs and Their Medicinal Importance: An Overview
Authors: Gaikwad Digambar D. , Chapolikar Archana D. , Devkate Chandrashekhar G. , Warad Khandu D. , Tayade Amit P. , Pawar Rajendra P. , Domb Abraham J.
Published: March 2015

Review: 139 refs.
ChemInform Abstract: Carbon—Hydrogen (C—H) Bond Activation at PdIV: A Frontier in C—H Functionalization Catalysis
Authors: Topczewski Joseph J. , Sanford Melanie S.
Published: March 2015

Review: [20 refs.
ChemInform Abstract: Charge‐Tagged Ligands: Useful Tools for Immobilizing Complexes and Detecting Reaction Species During Catalysis
Authors: Limberger Jones , Leal Barbara C. , Monteiro Adriano L. , Dupont Jairton
Published: March 2015

Review: 116 refs.
ChemInform Abstract: Thermodynamics of Metal‐Organic Frameworks
Authors: Wu Di , Navrotsky Alexandra
Published: March 2015

Review: 67 refs.
Fluorine in Drug Design: A Case Study with Fluoroanisoles
Authors: Xing Li , Blakemore David C. , Narayanan Arjun , Unwalla Ray , Lovering Frank , Denny R. Aldrin , Zhou Huanyu , Bunnage Mark E.
Published: March 2015

Anisole and fluoroanisoles display distinct conformational preferences, as evident from a survey of their crystal structures. In addition to altering the free ligand conformation, various degrees of fluorination have a strong impact on physicochemical and pharmacokinetic properties. Analysis of anisole and fluoroanisole matched molecular pairs in the Pfizer corporate database reveals interesting trends: 1) PhOCF3 increases log D by ∼1 log unit over PhOCH3 compounds; 2) PhOCF3 shows lower passive permeability despite its higher lipophilicity; and 3) PhOCF3 does not appreciably improve metabolic stability over PhOCH3. Emerging from the investigation, difluoroanisole (PhOCF2H) strikes a better balance of properties with noticeable advantages of log D and transcellular permeability over PhOCF3. Synthetic assessment illustrates that the routes to access difluoroanisoles are often more straightforward than those for trifluoroanisoles. Whereas replacing PhOCH3 with PhOCF3 is a common tactic to optimize ADME properties, our analysis suggests PhOCF2H may be a more attractive alternative, and greater exploitation of this motif is recommended.
From Epoxidized Linseed Oil to Bioresin: An Overall Approach of Epoxy/Anhydride Cross‐Linking
Authors: Pin Jean‐Mathieu , Sbirrazzuoli Nicolas , Mija Alice
Published: March 2015

Biorenewable resources can be used as green monomers to design tailored structures for formulations that can play an important role as functional materials. The choice of optimal structures depends on the targeted properties and applications. This work focuses on the elaboration of biobased materials with toughened mechanical properties based on epoxidized linseed oil. This result was obtained by an overall approach of cross‐linking process, that is, starting with the optimal choice of hardeners and finally favoring the side reactions of polymerization. Therefore, the anionic alternating copolymerization of epoxide with mono‐ and dianhydrides was investigated to tailor the parameters that led to maximal conversions and properties. The obtained highly cross‐linked networks perform well, as demonstrated by good impact strengths, high glass transition temperatures, and excellent thermal stability, which opens up the possibility of using these emergent materials for industrial applications.
Clinical characteristics, management, and outcomes of acute heart failure patients: observations from the Gulf acute heart failure registry (Gulf CARE)
Authors: Sulaiman Kadhim , Panduranga Prashanth , Al‐Zakwani Ibrahim , Alsheikh‐Ali Alawi A. , AlHabib Khalid F. , Al‐Suwaidi Jassim , Al‐Mahmeed Wael , AlFaleh Hussam , Elasfar Abdelfatah , Al‐Motarreb Ahmed , Ridha Mustafa , Bulbanat Bassam , Al‐Jarallah Mohammed , Bazargani Nooshin , Asaad Nidal , Amin Haitham
Published: March 2015

Aims

The purpose of this study was to describe the clinical characteristics, management, and outcomes of acute heart failure (HF) patients from the Gulf acute heart failure registry (Gulf CARE).

Methods and results

Data from 5005 HF patients admitted to 47 hospitals in seven Gulf countries during February to November 2012 were analysed. Fifty‐five per cent of patients presented with acute decompensated chronic HF, while 45% had new‐onset HF. Mean age was 59 ± 15 years, 63% were males, and 83% were Gulf citizens. Co‐morbid conditions were hypertension (61%), diabetes mellitus (50%), CAD (47%), and atrial fibrillation or flutter (14%). The median LVEF was 35% (25–45%) with 69% presenting as HF with reduced EF (HFrEF). CAD was the most prevalent aetiology (53%) followed by idiopathic cardiomyopathy (18%), hypertensive heart disease (16%), and valvular heart disease (9%). At discharge, 71% and 78% of patients received beta‐blockers and ACE inhibitors/ARBs, respectively. Use of coronary intervention and device therapy was <10%. In‐hospital mortality was 6.3%. Re‐hospitalization and cumulative mortality at 3 and 12 months were 18%/13% and 40%/20%, respectively.

Conclusions

Gulf CARE results show that patients from this region are a decade younger than their Western counterparts, with a high prevalence of diabetes and HFrEF, and a lower prevalence of AF. Use of coronary intervention and device therapy was low, with high re‐hospitalization rates. Short‐ and long‐term mortality rates were similar to those of Western registries, but should be interpreted in the light of the younger age of Gulf CARE patients.
Synthesis of a Panel of Carbon‐13‐Labelled (Glyco)Sphingolipids
Authors: Wisse Patrick , Gold Henrik , Mirzaian Mina , Ferraz Maria J. , Lutteke Ginger , van den Berg Richard J. B. H. N. , van den Elst Hans , Lugtenburg Johan , van der Marel Gijsbert A. , Aerts Johannes M. F. G. , Codée Jeroen D. C. , Overkleeft Herman S.
Published: March 2015

The synthesis of a focussed library of sphingolipids differing in the number and position of 13C labels is described. The synthesised sphingolipids differ in substitution at both the sphingosine amine (either palmitoylated or unmodified) and the sphingosine primary hydroxyl (unmodified or glycosylated). Moreover, 13C atoms are incorporated into either the sphingosine or the palmitate moiety, or both. This set of compounds is intended for use in relative quantitative lipidomics studies to gain insight into sphingolipid metabolism in healthy and diseased (lysosomal storage disorders) patients and animal models.
A Pilot Study Examining Diagnostic Differences Among Exercise and Weight Suppression in Bulimia Nervosa and Binge Eating Disorder
Authors: Cook Brian J. , Steffen Kristine J. , Mitchell James E. , Otto Maxwell , Crosby Ross D. , Cao Li , Wonderlich Stephen A. , Crow Scott , Hill Laura , Le Grange Daniel , Powers Pauline
Published: March 2015

Objective

The objective of this study was to investigate diagnostic differences in weight suppression (e.g., the difference between one's current body weight and highest non‐pregnancy adult body weight) and exercise among Bulimia Nervosa (BN) and Binge Eating Disorder (BED). Because exercise may be a key contributor to weight suppression in BN, we were interested in examining the potential moderating effect of exercise on weight suppression in BN or BED.

Method

Participants with BN (n = 774) and BED (n = 285) completed self‐report surveys of weight history, exercise and eating disorder symptoms. Generalised linear model analyses were used to examine the associations among diagnosis, exercise frequency and their interaction on weight suppression.

Results

Exercise frequency and BN/BED diagnosis were both associated with weight suppression. Additionally, exercise frequency moderated the relationship between diagnosis and weight suppression. Specifically, weight suppression was higher in BN than in BED among those with low exercise frequency but comparable in BN and BED among those with high exercise frequency.

Discussion

Our results suggest that exercise frequency may contribute to different weight suppression outcomes among BN and BED. This may inform clinical implications of exercise in these disorders. Specifically, much understanding of the differences among exercise frequency and the compensatory use of exercise in BN and BED is needed. Copyright © 2015 John Wiley & Sons, Ltd and Eating Disorders Association.
Expeditious Synthesis of Orthogonally Protected Saccharides through Consecutive Protection/Glycosylation Steps
Authors: Tu Zhijay , Liu Peng‐Kai , Wu Ming‐Chih , Lin Chun‐Hung
Published: March 2015

We recently developed a facile synthesis to yield orthogonally protected mannose‐ and Gal‐β1,3/4‐GlcNAc‐containing oligosaccharides. With optimized reaction conditions, the protection/glycosylation steps were carried out in a successive manner, without purification of intermediate products. The entire development sequence is herein described in detail, including each installation and removal of protecting groups, the optimization of glycosylation reactions, the successive operation of reaction steps, and further applications for glycan synthesis. We also discuss the unsolved problems and current challenges.
A Phenomenological Investigation of Counseling Doctoral Students Becoming Mothers
Authors: Holm Jessica M. , Prosek Elizabeth A. , Godwin Weisberger Andrea C.
Published: March 2015

Women often face challenges when balancing academic and familial responsibilities (Gilbert, ; Trepal & Stinchfield, ). This phenomenological study explored women's (N = 10) experiences of becoming mothers during a doctoral program in counseling. The results highlight the importance of mentorship and other protective factors associated with a successful transition from student to mother.