bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Preparation and Reactions of Heteroarylmethylzinc Reagents.
Authors: Barl Nadja M. , Sansiaume‐Dagousset Elodie , Monzon Gabriel , Wagner Andreas J. , Knochel Paul 
Published: October 2014

AbstractThe preparation of heteroarylmethylzinc chlorides such as (V) from the corresponding heteroarylmethyl chlorides is presented and coupling reactions with different electrophiles are demonstrated.
ChemInform Abstract: Synthesis, Photophysical and Electrochemical Studies on Triazole‐Based Phthalimidodendrimers.
Authors: Ravivarma Mahalingam , Satheeshkumar Chinnadurai , Rajakumar Perumal 
Published: October 2014

AbstractIn addition to the first generation dendrimer (III) and the second generation dendrimer (VIII) analogues dendrimers were synthesized employing 1,2‐bis(azidomethyl)benzene or 1,2,4,5‐tetrakis(azidomethyl)benzene instead of (I).
ChemInform Abstract: Iron‐Catalyzed Radical Oxidative Coupling Reaction of Aryl Olefins with 1,3‐Dithiane.
Authors: Du Wenbin , Tian Lixia , Lai Junshan , Huo Xing , Xie Xingang , She Xuegong , Tang Shouchu 
Published: October 2014

AbstractThis new and efficient method tolerates a wide range of functional groups and proceeds via an iron‐catalyzed oxidative radical intermediate.
ChemInform Abstract: Magnesiacyclopentadienes as Alkaline‐Earth Metallacyclopentadienes: Facile Synthesis, Structural Characterization, and Synthetic Application.
Authors: Wei Junnian , Liu Liang , Zhan Ming , Xu Ling , Zhang Wen‐Xiong , Xi Zhenfeng 
Published: October 2014

AbstractThe reaction of magnesiacyclopentadienes with thioformamides demonstrates their unique reactivity and provides an efficient access for amino cyclopentadienes.
ChemInform Abstract: Inorganic‐Base‐Catalyzed Synthesis of α,β‐Unsaturated Ketones and 3,5‐Disubstituted Cyclohex‐2‐en‐1‐ones.
Authors: Tao Hongqi , Duan Jindian , Li Pengfei 
Published: October 2014

AbstractKetones such as pentan‐3‐one, 1‐hydroxypropan‐2‐one, and 1,3‐dihydroxypropan‐2‐one do not react to the corresponding cyclohex‐2‐en‐1‐ones under Ba(OH)2‐catalysis.
ChemInform Abstract: Intermolecular Hydroamination of 1,3‐Dienes Catalyzed by Bis(phosphine)carbodicarbene—Rhodium Complexes.
Authors: Goldfogel Matthew J. , Roberts Courtney C. , Meek Simon J. 
Published: October 2014

AbstractThe highly site selective title reaction uses a preformed catalyst from Rh2Cl2(cod)2/NaOMe/PHL or IPL.
ChemInform Abstract: Green Recyclable CuO‐CeO2 Nanocomposite Catalyzed Amination of Aryl Halides with Aqueous Ammonia in Water.
Authors: Albadi Jalal , Mansournezhad Azam 
Published: October 2014

AbstractThe new method provides some advantages such as simple workup, clean procedure, relatively short reaction times and high yields of the products.
ChemInform Abstract: Oxidative ortho‐Amino‐Methylation of Phenols via C—H and C—C Bond Cleavage.
Authors: Sun Wenbo , Lin Huacan , Zhou Wenyu , Li Zigang 
Published: October 2014

AbstractThe novel title phenol aminomethylation is initiated by BrCCl3 and proceeds with good ortho‐selectivity.
ChemInform Abstract: Synthesis of O‐Benzyl Hydroxamates Employing the Sulfonate Esters of N‐Hydroxybenzotriazole.
Authors: Palakurthy Nani Babu , Dev Dharm , Paikaray Sonali , Chaudhury Susmitnarayan , Mandal Bhubaneswar 
Published: October 2014

AbstractThis method can also be used for the functionalization of sterically hindered amino acids and dipeptides without any significant racemization.
ChemInform Abstract: An Efficient and Highly Selective Carbonylative Bisthiolation of Internal Alkynes with Organic Disulfides Catalyzed by [Co2(CO)8].
Authors: Higuchi Yoshihiro , Higashimae Shinya , Tamai Taichi , Nomoto Akihiro , Sonoda Motohiro , Ogawa Akiya 
Published: October 2014

AbstractAliphatic disulfides are unsuitable for the investigated carbonylation reaction.
ChemInform Abstract: Ion‐Tagged Phosphines as Ligands for Suzuki Coupling of Aryl Halides in a Phosphonium Ionic Liquid.
Authors: Keith Adam J. , Kosik Stephen D. , Tillekeratne L. M. Viranga , Mason Mark R. 
Published: October 2014

AbstractN‐substituted phosphine ligands are employed in the Suzuki‐Miyaura coupling of aryl chlorides and bromides with phenyl boronic acid in ionic liquid/water system.
ChemInform Abstract: One Pot Photoredox Decarboxylation Reaction of N‐Cyano(α‐bromo‐α‐phenyl)methylanilines Leading to Synthesis of Four‐Membered Cyclic Carbamates.
Authors: Kaur Manpreet , Singh Baldev 
Published: October 2014

AbstractFour‐membered cyclic carbamates (II) are synthesized through solar irradiation of compounds (I) after expelling dissolved oxygen by stirring the reaction mixture with nitrogen.
ChemInform Abstract: Nickel‐Catalyzed Decarbonylative and Decarboxylative Cycloaddition of Isatoic Anhydrides with Alkynes.
Authors: Nakai Kenichiro , Kurahashi Takuya , Matsubara Seijiro 
Published: October 2014

AbstractTerminal alkynes such as 1‐octyne or phenylacetylene do not undergo the cycloaddition due to oligomerization.
ChemInform Abstract: Rhodium(III)‐Catalyzed Synthesis of Indoles from 1‐Alkylidene‐2‐arylhydrazines and Alkynes via C—H and N—N Bond Cleavages.
Authors: Matsuda Takanori , Tomaru Yuki 
Published: October 2014

AbstractSuitable reaction conditions are presented for the annulative coupling of hydrazine substrates with internal alkynes to form trisubstituted indole derivatives.
ChemInform Abstract: A Novel Synthetic Approach to 4‐Acetamido‐1‐arylindazoles via Semmler—Wolff Rearrangement of 1‐Aryl‐6,7‐dihydro‐5H‐indazol‐4‐one Oxime.
Authors: Manjunatha Sulur G. , Bachu Sreekanth , Kadambar Vasantha Krishna , Murugan Andiappan , Ramasubramanian Sridharan , Ramachandra Puranik , Nambiar Sudhir 
Published: October 2014

AbstractA facile protocol using acetic anhydride and NaI is developed for Semmler—Wolf aromatization of oximes (I) to give indazole derivatives.
ChemInform Abstract: Enantioselective Organo‐Photocatalysis Mediated by Atropisomeric Thiourea Derivatives.
Authors: Vallavoju Nandini , Selvakumar Sermadurai , Jockusch Steffen , Sibi Mukund P. , Sivaguru Jayaraman 
Published: October 2014

AbstractThe organo‐photocatalyst displays lower excited‐state energies than the reactive substrates.
ChemInform Abstract: Cycloaddition of 1,4‐Diaryl‐1,3‐butadiynes with Nitriles: An Atom‐Economic One‐Pot Approach to Benzo[f]quinazolines.
Authors: Yang Lichen , Hua Ruimao 
Published: October 2014

AbstractA series of benzo[f]quinazolines (III) is prepared by a TfOH‐mediated reaction of butadiynes (I) with excess nitriles (II) in low to moderate yields.
ChemInform Abstract: Exploiting the Divalent Nature of Isonitriles: A Novel Pictet—Spengler Amidination Process.
Authors: Medda Federico , Hulme Christopher 
Published: October 2014

AbstractThe rapid convenient one‐pot synthesis of biologically relevant dihydropyrrolo quinoxaline amidines involves reaction of aniline derivatives with aldehydes to give Pictet—Spengler products which are coupled with protonated isonitriles to form the exocyclic amidine moiety.
ChemInform Abstract: Progress in the Development of Pyrophosphate Bioisosteres: Synthesis and Biomedical Potential of 1‐Fluoro‐ and 1,1‐Difluoromethylene‐1,1‐bisphosphonates
Authors: Romanenko Vadim D. , Kukhar Valery P. 
Published: October 2014

AbstractReview: 93 refs.
Chemical Reactivity and Band‐Gap Opening of Graphene Doped with Gallium, Germanium, Arsenic, and Selenium Atoms
Authors: Denis Pablo A. 
Published: October 2014

AbstractHerein, the effects of substitutional doping of graphene with Ga, Ge, As, and Se are shown. Ge exhibits the lowest formation energy, whereas Ga has the largest one. Ga‐ and As‐doped graphene display a reactivity that is larger than that corresponding to a double vacancy. They can decompose H2 and O2 easily. Variation of the type and concentration of dopant makes the adjustment of the interlayer interaction possible. In general, doping of monolayer graphene opens a band gap. At some concentrations, Ga doping induces a half metallic behavior. As is the element that offers the widest range of gap tuning. Heyd–Scuseria–Ernzerhof calculations indicate that it can be varied from 1.3 to 0.3 eV. For bilayer graphene, the doped sheet induces charge redistribution in the perfect underneath sheet, which opens a gap in the range of 0.05–0.4 eV. This value is useful for developing graphene‐based electronics, as the carrier mobility of the undoped sheet is not expected to alter.
Microemulsion‐Assisted Synthesis of Nanosized LiMnO Spinel Cathodes for High‐Rate Lithium‐Ion Batteries
Authors: Rui Xianhong , Sun Wenping , Yan Qingyu , Lim Tuti Mariana , Skyllas–Kazacos Maria 
Published: October 2014

AbstractLi1.16Mn1.84O4 nanoparticles (50–90 nm) with cubic spinel structure are synthesized by combining a microemulsion process to produce ultrafine Mn(OH)2 nanocrystals (3–8 nm) with a solid‐state lithiation step. The nanostructured lithium‐rich Li1.16Mn1.84O4 shows stable cycling performance and superior rate capabilities as compared with the corresponding bulk material, for example, the nano‐sized Li1.16Mn1.84O4 electrode shows stable reversible capacities of 74 mAh g−1 during the 1000th cycle at a high rate of 40 C between 3.0 and 4.5 V. In addition, Li1.16Mn1.84O4 nanoparticles also show high Li storage properties over an enlarged voltage window of 2.0–4.5 V with high capacities and stable cyclability, for example, delivering discharge capacities of 209 and 114 mAh g−1 at rates of 1 and 20 C, respectively.
Leaf‐like copper oxide nanocrystals synthesized by a gas‐liquid diffusion method at room temperature
Authors: Shi Zhuo , Zhang Afang , Zhang Qiang 
Published: October 2014

The leaf‐like copper oxide (CuO) nanocrystals have been synthesized by a gas‐liquid diffusion method in pure aqueous solution at room temperature. The structure, morphologies and related properties of the as‐prepared crystals were characterized with X‐ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscope (TEM), selected area electron diffraction (SAED) and thermogravimetric analysis (TG). The influence of copper concentration was investigated, which plays an important role in the formation of nanostructured CuO crystals. Only when the copper concentration was low enough (0.005 M) that the leaf‐like CuO could be obtained directly. Additionally, a growth mechanism of CuO was also proposed based on the observed results.
Preparation of strontium chloride hexahydrate by batch‐cooling crystallization: Control of crystal size and morphology
Authors: Qian Yuanyuan , Lu Guimin , Sun Yuzhu , Song Xingfu , Yu Jianguo 
Published: October 2014

The effects of initial supersaturation, cooling rate, and stirring rate on the morphology of strontium chloride hexahydrate (SrCl2·6H2O) crystals were investigated by batch‐cooling crystallization, providing optimal operating conditions. Uniform needle‐like crystals with a length of 1200.50 μm and a width of 100.92 μm on average were obtained. The corresponding aspect ratio of length to width was about 11.90. Moreover, the morphological modification of SrCl2·6H2O crystals using cetyltrimethylammonium chloride (CTAC) was studied. When 20.30 mmol·L−1 of CTAC was added, the length and width of crystals were 792.71 μm and 233.25 μm, respectively, and the corresponding aspect ratio decreased to 3.40. The shape of SrCl2·6H2O crystal changed to granule‐like, probably because of the strong interaction of CTAC with the SrCl2·6H2O facets with a denser distribution of Cl− ions. This study offers a simple, flexible, and highly efficient approach to regulate the morphology of SrCl2·6H2O crystals and opportunities for multiple applications of SrCl2·6H2O.
A novel magneto‐impedance sensor model based on the zeros of Bessel functions
Authors: Vargas‐Bernal Rafael , De la Cruz Blas Carlos A. , Gómez‐Polo Cristina 
Published: October 2014

SummaryNowadays, the design of magneto‐impedance (MI) sensors requires the development of lumped circuit models that can be simulated through equivalent impedance circuits relied on Bessel functions. A new impedance model based on Senani's equivalent using the zeros of Bessel functions is developed in this paper. The model allows to describe the impedance as a transfer function that can be easily synthesized by means of current conveyor circuits and passive elements. The mathematical representation was verified under simulation of transfer functions involving different number of poles and zeros. Moreover, the model has been verified using SPICE simulations and measurement results from a fabricated prototype demonstrating its scope and validity. Finally, a study of finite tracking errors of CCIIs used in the implementation of magneto‐impedance sensor has been realized. Copyright © 2014 John Wiley & Sons, Ltd.
Psychosocial factors associated with bulimia nervosa during pregnancy: An internal validation study
Authors: Watson Hunna J. , Von Holle Ann , Knoph Cecilie , Hamer Robert M. , Torgersen Leila , Reichborn‐Kjennerud Ted , Stoltenberg Camilla , Magnus Per , Bulik Cynthia M. 
Published: October 2014

ABSTRACTObjectiveThe aim of this paper was to internally validate previously reported relations (Knoph Berg et al., Aust N Z J Psychiatry, 42, 396–404, 2008) between psychosocial factors and bulimia nervosa (BN) outcomes during pregnancy.MethodThis study is based on the Norwegian Mother and Child Cohort Study (MoBa) conducted by the Norwegian Institute of Public Health. Participants were women enrolled during pregnancy (N = 69,030). Internal validity was evaluated by way of bootstrapped parameter estimates using the overall sample and a split sample calibration approach.ResultsBootstrap bias estimates were below the problematic threshold, and extend earlier findings (Knoph Berg et al., Aust N Z J Psychiatry, 42, 396–404, 2008) by providing support for the validity of the models at the population level of all pregnant women in Norway. Bootstrap risk ratios indicated that prevalence, incidence, and remission of BN during pregnancy were significantly associated with psychosocial factors. The split sample procedure showed that the models developed on the training sample did not predict risks in the validation sample.DiscussionThis study characterizes associations between psychosocial exposures and BN outcomes among pregnant women in Norway. Women with lifetime and current self‐reported psychosocial adversities were at a much higher risk for BN during pregnancy. Psychosocial factors were associated with BN remission during pregnancy, inviting the prospect of enhancing therapeutic interventions. We consider the findings in the context of reproducibility in science. © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2015; 48:654–662)
Genetic signs of multiple colonization events in Baltic ciscoes with radiation into sympatric spring‐ and autumn‐spawners confined to early postglacial arrival
Authors: Delling Bo , Palm Stefan , Palkopoulou Eleftheria , Prestegaard Tore 
Published: October 2014

AbstractPresence of sympatric populations may reflect local diversification or secondary contact of already distinct forms. The Baltic cisco (Coregonus albula) normally spawns in late autumn, but in a few lakes in Northern Europe sympatric autumn and spring‐ or winter‐spawners have been described. So far, the evolutionary relationships and taxonomic status of these main life history forms have remained largely unclear. With microsatellites and mtDNA sequences, we analyzed extant and extinct spring‐ and autumn‐spawners from a total of 23 Swedish localities, including sympatric populations. Published sequences from Baltic ciscoes in Germany and Finland, and Coregonus sardinella from North America were also included together with novel mtDNA sequences from Siberian C. sardinella. A clear genetic structure within Sweden was found that included two population assemblages markedly differentiated at microsatellites and apparently fixed for mtDNA haplotypes from two distinct clades. All sympatric Swedish populations belonged to the same assemblage, suggesting parallel evolution of spring‐spawning rather than secondary contact. The pattern observed further suggests that postglacial immigration to Northern Europe occurred from at least two different refugia. Previous results showing that mtDNA in Baltic cisco is paraphyletic with respect to North American C. sardinella were confirmed. However, the inclusion of Siberian C. sardinella revealed a more complicated pattern, as these novel haplotypes were found within one of the two main C. albula clades and were clearly distinct from those in North American C. sardinella. The evolutionary history of Northern Hemisphere ciscoes thus seems to be more complex than previously recognized.
Acyl‐Functionalized Molybdenum Compounds [(η3‐C3H5)(η5‐Cp′)Mo(CO)2]: An Experimental Study Including the X‐ray Structure of a Rare endo Conformer
Authors: Schejbal Jiří , Honzíček Jan , Vinklárek Jaromír , Erben Milan , Růžičková Zdeňka 
Published: October 2014

AbstractA series of new acyl‐functionalized molybdenum(II) complexes [(η3‐C3H5)(η5‐C5H4COR)Mo(CO)2] have been successfully synthesized and crystallographically characterized, and the relationship between the reactivity and electronic properties of these organometallic compounds has been studied in detail. The X‐ray analysis revealed [(η3‐C3H5)(η5‐C5H4COCF3)Mo(CO)2] to exist as a rare endo conformer, the first time that this structure has been observed in the crystal lattice of a [(η3‐C3H5)(η5‐Cp′)Mo(CO)2] (Cp′ = substituted Cp) complex without any disorder. It has also been demonstrated that the derivatives bearing very strong electron‐withdrawing acyl groups (e.g., ‐CHO, ‐COCF3) show different outcomes in the protonation reactions compared with the parent cyclopentadienyl compound or derivatives bearing less electron‐withdrawing groups (e.g., ‐COMe, ‐COPh). This study has also revealed the increased reactivity of the formyl derivative [(η3‐C3H5)(η5‐C5H4CHO)Mo(CO)2] towards aromatic amines. An IR spectroscopic analysis revealed that the aldimine‐functionalized products formed very quickly even under the mild conditions that fulfill the basic rules of click chemistry.
A Versatile Protocol for the Synthesis of Pyrazolyl‐Substituted Pyridinium and Guanidinium Salts from Pyridone and Urea Derivatives
Authors: Echterhoff Antje K. C. , Yogendra Sivathmeehan , Kösters Jutta , Fischer Roland , Weigand Jan J. 
Published: October 2014

AbstractThe trication (pyr3P2)3+ (1+, pyr = 3,5‐dimethylpyrazolyl) is used as a convenient pyrazolyl‐transfer reagent to convert 2‐pyridones, 4‐pyridones, and urea derivatives to pyrazolyl‐substituted pyridinium or guanidinium triflate salts. This conversion represents a new, efficient, and highly functional‐group‐compatible approach that yields the desired products conveniently and in high yields. Typically, this reaction proceeds by exchange of the carbonyl oxygen atom of the substrate for a pyrazolyl moiety. However, for the structurally related 3‐hydroxypyridines, a different reaction pathway occurs to give tripyridyl phosphites. The outcome of the reaction can be explained by the lactam–lactim tautomerism of the substrate and is discussed in detail. All reaction products were fully characterized by elemental analysis and multinuclear NMR, IR, and Raman spectroscopy, and the structural arrangements of most of the products were confirmed by X‐ray crystallography analysis.
Design and Synthesis of 3‐Trifluoromethyl‐3H‐pyrazoles and Further Investigations of Their Transformation to 1H‐Pyrazoles
Authors: Sha Qiang , Liu Haixuan , Wei Yunyang 
Published: October 2014

AbstractAn efficient intramolecular cycloaddition strategy for the synthesis of trifluoromethyl‐substituted 3H‐pyrazoles was developed. Subsequently, their wide applications were demonstrated: they (1) react with dioxane by a radical process and (2) undergo [1,5] sigmatropic rearrangements. These applications are useful as the products were obtained in high yields and with excellent regioselectivity.
Mechanistic Elucidation of the 2‐Norbornyl to 1,3‐Dimethylcyclopentenyl Cation Isomerization
Authors: Jalife Said , Martínez‐Guajardo Gerardo , Zavala‐Oseguera Claudia , Fernández‐Herrera María A. , von Ragué Schleyer Paul , Merino Gabriel 
Published: October 2014

AbstractExtremely complicated isomerization mechanisms for the isomerization of the 2‐norbornyl to 1,3‐dimethylcyclopentenyl cation observed in the gas phase have been elucidated through Born–Oppenheimer molecular dynamics simulations and ab initio computations. These quantum chemical explorations revealed that there are two viable complex rearrangement pathways. The longer pathway involves consecutive ring‐openings with the formation of acyclic allylic cation intermediates. Although these are avoided in the shorter pathway, both routes are feasible, because the energy barriers of their first steps differ by only 1.0 kcal/mol. Both pathways eventually converge to the same methylcyclohexenyl cation, which undergoes ring contraction and methyl and hydride shifts to yield the C7H11+ global minimum, namely the 1,3‐dimethylcyclopentenyl cation.
Apparatus for the vertical orientation cone calorimeter testing of flexible polyurethane foams
Authors: Galaska Mary L. , Morgan Alexander B. , Schenck Kathleen A. , Stalter John G. 
Published: October 2014

SummaryOf concern to regulators and fire safety engineers is how flexible polyurethane foam drips and flows during burning. Specifically, flexible polyurethane foam forms a burning ‘pool’ of liquid as the foam decomposes, which can lead to accelerated flashover events. To fully study this phenomenon where the ‘pool fire’ accelerates heat release, large‐scale tests like the furniture calorimeter (American Society of Testing and Materials (ASTM) E1537) are used, and no small‐scale technique exists. In this paper, we present our work in developing a new sample holder that works with a bench‐scale heat release test, the cone calorimeter (ASTM E1354). The holder was built upon designs developed by the National Institute of Standards and Technology, which placed the foam in a cage in a vertical orientation during cone calorimeter testing. In this paper, we show the schematics for this test apparatus, as well as results obtained with this apparatus on four different flexible foams (shape memory and high‐density foam, flame retarded and non‐flame retarded). We compare the results from the vertical testing with that obtained via traditional horizontal ASTM E1354 testing. The advantages and disadvantages of this new apparatus are discussed in this paper. Copyright © 2014 John Wiley & Sons, Ltd.
A Fractionally Cointegrated VAR Analysis of Price Discovery in Commodity Futures Markets
Authors: Dolatabadi Sepideh , Nielsen Morten Ørregaard , Xu Ke 
Published: October 2014

AbstractIn this paper, we apply the recently developed fractionally cointegrated vector autoregressive (FCVAR) model to analyze price discovery in the spot and futures markets for five non‐ferrous metals (aluminum, copper, lead, nickel, and zinc). The FCVAR model allows for long memory (fractional integration) in the equilibrium errors, and, following Figuerola‐Ferretti and Gonzalo (2010), we allow for the existence of long‐run backwardation or contango in the equilibrium as well, that is, a non‐unit cointegration coefficient. Price discovery can be analyzed in the FCVAR model by a relatively straightforward examination of the adjustment coefficients. In our empirical analysis, we use the data from Figuerola‐Ferretti and Gonzalo (2010), who conduct a similar analysis using the usual (non‐fractional) CVAR model. Our first finding is that, for all markets except copper, the fractional integration parameter is highly significant, showing that the usual, non‐fractional model is not appropriate. Next, when allowing for fractional integration in the long‐run equilibrium relations, fewer lags are needed in the autoregressive formulation, further stressing the usefulness of the fractional model. Compared to the results from the non‐fractional model, we find slightly more evidence of price discovery in the spot market. Specifically, using standard likelihood ratio tests, we do not reject the hypothesis that price discovery takes place exclusively in the spot (futures) market for copper, lead, and zinc (aluminum and nickel). © 2014 Wiley Periodicals, Inc. Jrl Fut Mark 35:339–356, 2015