bluuebunny/crossref_metadata_2025 huggingface dataset:
Artifact‐Free Quantification and Sequencing of Rare Recombinant Viruses by Using Drop‐Based Microfluidics
Authors: Tao Ye , Rotem Assaf , Zhang Huidan , Cockrell Shelley K. , Koehler Stephan A. , Chang Connie B. , Ung Lloyd W. , Cantalupo Paul G. , Ren Yukun , Lin Jeffrey S. , Feldman Andrew B. , Wobus Christiane E. , Pipas James M. , Weitz David A.
Published: August 2015

Recombination is an important driver in the evolution of viruses and thus is key to understanding viral epidemics and improving strategies to prevent future outbreaks. Characterization of rare recombinant subpopulations remains technically challenging because of artifacts such as artificial recombinants, known as chimeras, and amplification bias. To overcome this, we have developed a high‐throughput microfluidic technique with a second verification step in order to amplify and sequence single recombinant viruses with high fidelity in picoliter drops. We obtained the first artifact‐free estimate of in vitro recombination rate between murine norovirus strains MNV‐1 and WU20 co‐infecting a cell (Prec=3.3×10−4±2×10−5) for a 1205 nt region. Our approach represents a time‐ and cost‐effective improvement over current methods, and can be adapted for genomic studies requiring artifact‐ and bias‐free selective amplification, such as microbial pathogens, or rare cancer cells.
Highly Selective Copper Catalyst Supported on Mesoporous Carbon for the Dehydrogenation of Ethanol to Acetaldehyde
Authors: Wang Qing‐Nan , Shi Lei , Lu An‐Hui
Published: August 2015

The dehydrogenation of ethanol to acetaldehyde is of great importance in synthetic chemistry and the fine chemical industry. In this study, we report that a mesoporous‐carbon‐supported Cu catalyst exhibited a high reaction rate and excellent product selectivity in ethanol dehydrogenation to acetaldehyde. Under the severe conditions of an ethanol concentration of 15 vol % and a gaseous hourly space velocity of 8 600 h−1, the Cu‐based carbon catalyst maintains a conversion of ≈73 % and an acetaldehyde selectivity of ≈94 % at 553 K. Meanwhile, a prominent space time yield (225 h−1) of acetaldehyde is obtained, which is far higher than that (112 h−1) on the mesoporous‐SBA‐15‐supported Cu catalyst. Ethanol adsorption studies prove that the enrichment of the carbon support for reactants makes a contribution to the high reaction rate. Importantly, kinetic measurements indicate that the scarce surface groups of the mesoporous carbon support minimize the secondary reactions of acetaldehyde, which are generally catalyzed by OH and/or COOH on the surface of the support as exemplified by the mesoporous‐SBA‐15‐supported Cu catalyst. This accounts for the excellent selectivity toward acetaldehyde on the mesoporous‐carbon‐supported Cu catalyst. Therefore, these surface characteristics of the carbon support show great advantages in this dehydrogenation reaction.
(+)‐Cinchonine‐Decorated Dendrimers as Recoverable Organocatalysts
Authors: Rull Jordi , Casals Martí , Sebastián Rosa M. , Vallribera Adelina , Majoral Jean‐Pierre , Caminade Anne‐Marie
Published: August 2015

First‐ and fourth‐generation phosphorus dendrimers decorated on their surface with (+)‐cinchonine moieties for the use as organocatalysts have been prepared. The first‐generation dendrite showed the highest activity and enantioselectivity in the α‐amination of several β‐dicarbonyl compounds. A positive dendritic effect was observed. Its recovery and reuse over 10 cycles was demonstrated without loss of activity. Preliminary studies of the scope of the reaction have been performed.
Challenges in Accommodating Volume Change of Si Anodes for Li‐Ion Batteries
Authors: Ko Minseong , Chae Sujong , Cho Jaephil
Published: August 2015

Si has been considered as a promising alternative anode for next‐generation Li‐ion batteries (LIBs) because of its high theoretical energy density, relatively low working potential, and abundance in nature. However, Si anodes exhibit rapid capacity decay and an increase in the internal resistance, which are caused by the large volume changes upon Li insertion and extraction. This unfortunately limits their practical applications. Therefore, managing the total volume change remains a critical challenge for effectively alleviating the mechanical fractures and instability of solid‐electrolyte‐interphase products. In this regard, we review the recent progress in volume‐change‐accommodating Si electrodes and investigate their ingenious structures with significant improvements in the battery performance, including size‐controlled materials, patterned thin films, porous structures, shape‐preserving shell designs, and graphene composites. These representative approaches potentially overcome the large morphologic changes in the volume of Si anodes by securing the strain relaxation and structural integrity in the entire electrode. Finally, we propose perspectives and future challenges to realize the practical application of Si anodes in LIB systems.
Mesoporous‐Silica‐Functionalized Nanoparticles for Drug Delivery
Authors: Giret Simon , Wong Chi Man Michel , Carcel Carole
Published: August 2015

The ever‐growing interest for finding efficient and reliable methods for treatment of diseases has set a precedent for the design and synthesis of new functional hybrid materials, namely porous nanoparticles, for controlled drug delivery. Mesoporous silica nanoparticles (MSNPs) represent one of the most promising nanocarriers for drug delivery as they possess interesting chemical and physical properties, thermal and mechanical stabilities, and are biocompatibile. In particular, their easily functionalizable surface allows a large number of property modifications further improving their efficiency in this field. This Concept article deals with the advances on the novel methods of functionalizing MSNPs, inside or outside the pores, as well as within the walls, to produce efficient and smart drug carriers for therapy.
Assembly of a Complex Branched Oligosaccharide by Combining Fluorous‐Supported Synthesis and Stereoselective Glycosylations using Anomeric Sulfonium Ions
Authors: Huang Wei , Gao Qi , Boons Geert‐Jan
Published: August 2015

There is an urgent need to develop reliable strategies for the rapid assembly of complex oligosaccharides. This paper presents a set of strategically selected orthogonal protecting groups, glycosyl donors modified by a (S)‐phenylthiomethylbenzyl ether at C‐2, and a glycosyl acceptor containing a fluorous tag, which makes it possible to rapidly prepare complex branched oligosaccharides of biological importance. The C‐2 auxiliary controlled the 1,2‐cis anomeric selectivity of the various galactosylations. The orthogonal protecting groups, 2‐naphthylmethyl ether (Nap) and levulinic ester (Lev), made it possible to generate glycosyl acceptors and allowed the installation of a crowded branching point. After the glycosylations, the chiral auxiliary could be removed using acidic conditions, which was compatible with the presence of the orthogonal protecting groups Lev and Nap, thereby allowing the efficient installation of 1,2‐linked glycosides. The light fluorous tag made it possible to purify the compounds by a simple filtration method using silica gel modified by fluorocarbons. The set of building blocks was successfully employed for the preparation of the carbohydrate moiety of the GPI anchor of Trypanosoma brucei, which is a parasite that causes sleeping sickness in humans and similar diseases in domestic animals.
Coordination Properties of Perfluoroethyl‐ and Perfluorophenyl‐Substituted Phosphonous acids, RfP(OH)2
Authors: Allefeld Nadine , Kurscheid Boris , Neumann Beate , Stammler Hans‐Georg , Ignat'ev Nikolai , Hoge Berthold
Published: August 2015

Phosphinic acids, RfP(O)(OH)H (Rf=CF3, C2F5, C6F5), turned out to be excellent preligands for the coordination of phosphonous acids, RfP(OH)2. Addition of C2F5P(O)(OH)H to solid PtCl2 under different reaction conditions allows the isolation and full characterization of the mononuclear complexes [ClPt{P(C2F5)(OH)O}{P(C2F5)(OH)2}2] and [Pt{P(C2F5)(OH)O}2{P(C2F5)(OH)2}] containing hydrogen‐bridged [RfP(OH)O]− and RfP(OH)2 units. Further deprotonation of [Pt{P(C2F5)(OH)O}2{P(C2F5)(OH)2}2] leads to the formation of the dianionic platinate, [Pt{P(C2F5)(OH)O}4]2−, revealing four intramolecular hydrogen bridges. With PdCl2 the dinuclear complex [Pd2(μ‐Cl)2{[P(C2F5)(OH)O]2H}2] was isolated and characterized. The Cl− free complex [Pd{P(C2F5)(OH)O}2{P(C2F5)(OH)2}2] was also prepared and deprotonated to the dianionic palladate, [Pd{P(C2F5)(OH)O}4]2−. Both compounds were characterized by NMR spectroscopy, IR spectroscopy, and X‐ray analyses. In addition, the C6F5 derivatives [ClPt{P(C6F5)(OH)O}{P(C6F5)(OH)2}2] and [Pd2(μ‐Cl)2{[P(C6F5)(OH)O]2H}2] as well as the CF3 derivative [Pd2(μ‐Cl)2{[P(CF3)(OH)O]2H}2] were synthesized and fully characterized. Phosphonous acid complexes are inert towards air and moisture and can be stored for several months without decomposition. The catalytic activity of the palladium complexes in the Suzuki cross‐coupling reaction between 1‐bromo‐3‐fluorobenzene and phenyl boronic acid was demonstrated.
Release of the Water Molecule Encapsulated Inside an Open‐Cage Fullerene through Hydrogen Bonding Mediated by Hydrogen Fluoride
Authors: Xu Liang , Ren Hongjiang , Liang Sisi , Sun Jiahao , Liu Yajun , Gan Liangbing
Published: August 2015

A reversible wetting/dewetting procedure is reported for an open‐cage fullerene with an 18‐membered orifice. In a homogeneous mixture of H2O/EtOH/CHCl3, water was encapsulated into the cavity of the open‐cage compound quantitatively at 80 °C. Addition of aqueous hydrogen fluoride into the water‐encapsulated complex removed the encapsulated water completely at room temperature. H‐bonding between the trapped water and fluoride is shown to play a key role for the water release process.
ChemInform Abstract: Correlation Between the Electronic Structure, Effective Mass and Thermoelectric Properties of Rare Earth Tellurides Ba2MYTe5 (M: Ga, In).
Authors: Khan Wilayat , Borek Stephan , Minar Jan
Published: August 2015

The electronic structure, electronic charge density, and band gaps of Ba2MYTe5 (M: Ga, In) single crystals are simulated using the full potential linearized augmented plane wave package WIEN2k.
ChemInform Abstract: Tunable Luminescence and Energy Transfer Properties of a Novel Na4Ca4Si6O18:Ce3+, Mn2+ Phosphor.
Authors: Wei Dongxu , Sun Ying , Jiang Lianzhou , Hu Shaoxin , Li Dan
Published: August 2015

Color‐tunable Ce3+, Mn2+ co‐doped Na4Ca4Si6O18 phosphors are prepared by solid‐state reaction of Na2CO3, CaCO3, SiO2, CeO2, and MnCO3 (1150 °C, 4 h in reducing CO atmosphere).
ChemInform Abstract: Synthesis, Crystal Structure and Properties of the Strontium Vanadate Fluoride Sr5(VO4)3F.
Authors: Zhang Fangyuan , Zhang Fangfang , Jing Qun , Pan Shilie , Yang Zhihua , Jia Dianzeng
Published: August 2015

Polycrystalline samples of the title compound are synthesized by solid state reaction of stoichiometric mixtures of SrCO3, SrF2, and V2O5 (corundum crucible, 500 °C for 10 h and 700 °C for 24 h followed by sintering at 850 °C for 72 h).
ChemInform Abstract: Syntheses and Crystal Structures of BaAgTbS3, BaCuGdTe3, BaCuTbTe3, BaAgTbTe3, and CsAgUTe3.
Authors: Prakash Jai , Mesbah Adel , Beard Jessica C. , Ibers James A.
Published: August 2015

Single crystals of the new title compounds are prepared by reactions of stoichiometric amounts of the elements (1173—1273 K, 96—192 h, 70—80 wt.% yields based on Tb or Gd).
ChemInform Abstract: Enantioselective Ruthenium‐Catalyzed Carbonyl Allylation via Alkyne—Alcohol C—C Bond‐Forming Transfer Hydrogenation: Allene Hydrometalation vs. Oxidative Coupling.
Authors: Liang Tao , Nguyen Khoa D. , Zhang Wandi , Krische Michael J.
Published: August 2015

The first examples of enantioselective carbonyl allylation are presented.
ChemInform Abstract: Direct Asymmetric Amination of α‐Branched Cyclic Ketones Catalyzed by a Chiral Phosphoric Acid.
Authors: Yang Xiaoyu , Toste F. Dean
Published: August 2015

An asymmetric α‐amination of a variety of cyclic α‐substituted ketones using BINOL‐derived phosphoric acid (TCP) as catalyst provides the corresponding products with excellent enantioselectivities.
ChemInform Abstract: OH‐Directed Alkynylation of 2‐Vinylphenols with Ethynyl Benziodoxolones: A Fast Access to Terminal 1,3‐Enynes.
Authors: Finkbeiner Peter , Kloeckner Ulrich , Nachtsheim Boris J.
Published: August 2015

The first direct Rh‐catalyzed alkynylation of 2‐vinylphenols is developed using a hypervalent iodine reagent (II) as alkynyl transfer reagent.
ChemInform Abstract: Trifluoromethyl syn‐ or anti‐γ‐Amino Alcohols by One‐Pot Solvent‐Free Mannich‐Type Reactions under Temperature Control.
Authors: Fioravanti Stefania , Parise Luca , Pelagalli Alessia , Pellacani Lucio , Trulli Laura
Published: August 2015

The preparation of diastereomerically pure γ‐amino alcohols catalyzed by proline and derivatives thereof is examined: Depending on the amine used, performing the reaction at 25 or 40 °C provides only the syn‐isomeric products whereas at 0 °C the anti‐isomers are obtained.
ChemInform Abstract: Preparation of Tertiary Amines by the Reaction of Iminium Ions Derived from Unsymmetrical Aminals with Zinc and Magnesium Organometallics.
Authors: Werner Veronika , Ellwart Mario , Wagner Andreas J. , Knochel Paul
Published: August 2015

A four‐step one‐pot procedure is elaborated for the preparation of tertiary amines (IV), (VII), and (X).
ChemInform Abstract: Expedient and Efficient One Pot Synthesis of Trifluoroethyl Ethers from Metal Free 2,4,6‐Tris‐(2,2,2‐trifluoro‐ethoxy)‐[1,3,5] Triazene.
Authors: Mangawa Shrawan Kumar , Sharma Chiranjeev , Kumar Singh Ashawani , Awasthi Satish K.
Published: August 2015

Various fluorinated alkyl and aryl ethers are eco‐friendly obtained using the synthetic non‐toxic, non‐ozone depleting, and stable 2,4,6‐tris‐(2,2,2‐trifluoroethoxy)‐[1,3,5]triazene (II) as trifluoroethylation reagent.
ChemInform Abstract: Visible Light Promoted Carbodifluoroalkylation of Allylic Alcohols via Concomitant 1,2‐Aryl Migration.
Authors: Xu Pan , Hu Kaidong , Gu Zhangxi , Cheng Yixiang , Zhu Chengjian
Published: August 2015

The photo‐induced difluoroalkylation of allylic alcohols in the presence of blue LED light affords difluoro 1,5‐dicarbonyl compounds through tandem radical addition and 1,2‐aryl migration.
ChemInform Abstract: The Discovery of a Novel Route to Highly Substituted α‐Tropolones Enables Expedient Entry to the Core of the Gukulenins.
Authors: Kats‐Kagan Roman , Herzon Seth B.
Published: August 2015

The thermal rearrangement of dibromides (I) proceeds with a ring expansion to afford a variety of substituted tropolones (II) in good to high yields.
ChemInform Abstract: Base‐Free Direct Formylation of Aromatic Iodides Using CO2 as C1 Source Catalyzed by Palladium Nanoparticles Grafted onto Amino‐Functionalized Nanostarch.
Authors: Kumar Subodh , Verma Sanny , Jain Suman L.
Published: August 2015

It is demonstrated for the first time that aromatic aldehydes can be directly formylated with CO2 as C1 carbon source under base free conditions.
ChemInform Abstract: Iron‐Catalyzed N‐Arylsulfonamide Formation Through Directly Using Nitroarenes as Nitrogen Sources.
Authors: Zhang Weixi , Xie Junyao , Rao Bin , Luo Meiming
Published: August 2015

Nitromethane as well as sodium benzylsulfinate do not react.
ChemInform Abstract: Copper‐Catalyzed Tandem Synthesis of 2‐(Sulfonylimino)alkanamides from N‐Sulfonylketenimines and Alkyl Isocyanides.
Authors: Yavari Issa , Ghazanfarpour‐Darjani Majid , Nematpour Manijeh
Published: August 2015

N‐Sulfonylketenimines generated in situ from alkynes and azides are trapped by isocyanides to give 2‐(sulfonylimino)alkanamides in a one‐pot manner.
ChemInform Abstract: Trifluoromethyl Sulfoxides from Allylic Alcohols and Electrophilic SCF3 Donor by [2,3]‐Sigmatropic Rearrangement.
Authors: Maeno Mayaka , Shibata Norio , Cahard Dominique
Published: August 2015

Electrophilic trifluoromethylthiolation of allylic alcohols with N‐trifluoromethylthiosaccharin (Shen′s reagent) affords the corresponding allylic trifluoromethanesulfenates, which spontaneously rearrange into trifluoromethyl sulfoxides.
ChemInform Abstract: Synthesis of Carbodiimides by I2/CHP‐Mediated Cross‐Coupling Reaction of Isocyanides with Amines under Metal‐Free Conditions.
Authors: Zhu Tong‐Hao , Wang Shun‐Yi , Tao Yang‐Qing , Ji Shun‐Jun
Published: August 2015

Both symmetric and asymmetric functionalized carbodiimides can be synthesized using the title method.
ChemInform Abstract: Chlorosulfonic Acid Supported Diethylamine Ionic Liquid Catalyzed Green Synthesis of Novel 2‐Mercaptonaphthalen‐1‐yl (methyl)‐3‐hydroxy‐5,5‐dimethylcyclohex‐2‐enones under Neat Conditions.
Authors: Reddy Mudumala Veeranarayana , Chandra Sekhar Reddy Gangireddy , Naidu Kalla Reddi Mohan , Jeong Yeon Tae
Published: August 2015

The heterogeneous catalyst is environmentally benign, very active, and can be reused several times without significant loss of activity.
ChemInform Abstract: Reacting Cyclopropenones with Arynes: Access to Spirocyclic Xanthene—Cyclopropene Motifs.
Authors: Wallbaum Jan , Jones Peter G. , Werz Daniel B.
Published: August 2015

Alkyl/aryl‐ and dialkyl‐substituted cyclopropenones do not react to the desired spirocyclic compounds under these conditions.
ChemInform Abstract: Bespoke SnAP Reagents for the Synthesis of C‐Substituted Spirocyclic and Bicyclic Saturated N‐Heterocycles.
Authors: Geoghegan Kimberly , Bode Jeffrey W.
Published: August 2015

Cyclization of stannyl amines with aldehydes utilizing the stannyl amine protocol (SnAP) leads to bicyclic and spirocyclic morpholines and piperazines.
ChemInform Abstract: Regio‐ and Chemoselective N‐1 Acylation of Indoles: Pd‐Catalyzed Domino Cyclization to Afford 1,2‐Fused Tricyclic Indole Scaffolds.
Authors: Liu Yongxian , Huang Yuanqiong , Song Hongjian , Liu Yuxiu , Wang Qingmin
Published: August 2015

The procedure allows access to various tricyclic N‐heterocycles which contain a diazepine unit.
ChemInform Abstract: Gold(I)‐Catalyzed Dearomative Rautenstrauch Rearrangement: Enantioselective Access to Cyclopenta[b]indoles.
Authors: Zi Weiwei , Wu Hongmiao , Toste F. Dean
Published: August 2015

The first gold‐catalyzed dearomative Rautenstrauch rearrangements of N‐tosyl indoles of type (I) and (V) are described.
ChemInform Abstract: Synthesis and Characterization of Asymmetric 1,2‐Dihydroxy‐5,5′‐bitetrazole and Selected Nitrogen‐Rich Derivatives.
Authors: Hafner Katherina , Klapoetke Thomas M. , Schmid Philipp C. , Stierstorfer Joerg
Published: August 2015

A selective synthesis of the title compound from inexpensive starting materials is presented.
ChemInform Abstract: Metal‐Free Intramolecular Transannulation of N,3‐Diaryloxirane‐2‐carboxamides: A Concise and Versatile Route to 3‐Arylquinolin‐2(1H)‐ones.
Authors: Mamedov Vakhid A. , Mamedova Vera L. , Kadyrova Saniya F. , Khikmatova Gul'naz Z. , Gubaidullin Aidar T. , Rizvanov Il'dar Kh. , Latypov Shamil K.
Published: August 2015

The intramolecular transannulation of trans‐epoxides (III) towards quinolinones (IV) proceeds via a Meinwald rearrangement and Friedel—Crafts alkylation processes, featuring an exclusive 1,2‐aryl migration.
ChemInform Abstract: Rh(III) and Ru(II)‐Catalyzed Site‐Selective C—H Alkynylation of Quinolones.
Authors: Kang Dahye , Hong Sungwoo
Published: August 2015

4‐Quinolinones are alkynylated regioselectively with (silylethynyl)benziodoxolone by using rhodium or ruthenium catalysts.
ChemInform Abstract: N‐Heterocyclic Carbene‐Catalyzed Annulation of Cyclic β‐Enamino Esters with Enals: Access to Functionalized Indolo[2,3‐a]quinolizidines.
Authors: Hu Shihe , Wang Bingyang , Zhang Yu , Tang Weifang , Fang Mengyuan , Lu Tao , Du Ding
Published: August 2015

A novel approach for the quick and efficient construction of the indolo[2,3‐a]quinolizidine skeleton, a core structure of many biologically active natural products, is developed.
ChemInform Abstract: Gold‐Catalyzed Tandem Hydroamination/Formal Aza‐Diels—Alder Reaction of Homopropargyl Amino Esters: A Combined Computational and Experimental Mechanistic Study.
Authors: Miro Javier , Sanchez‐Rosello Maria , Gonzalez Javier , del Pozo Carlos , Fustero Santos
Published: August 2015

Under optimized conditions, the title reaction leads to formation of a tetracyclic nitrogen‐containing framework with generation of 4 bonds and 5 stereocenters.
ChemInform Abstract: Microwave‐Assisted Palladium‐Catalyzed Isonitrile Insertion in 2‐Bromophenylureas for Efficient Synthesis of 4‐Substituted Imino 4H‐Benzo[d][1,3]oxazin‐2‐amines.
Authors: Pandey Garima , Batra Sanjay
Published: August 2015

The reaction tolerates aromatic and aliphatic 2‐bromophenylureas as well as aryl, alkyl, and sulfonyl group containing isocyanides.
ChemInform Abstract: Nickel‐Catalyzed P—C Bond Formation via P—H/C—CN Cross Coupling Reactions.
Authors: Zhang Ji‐Shu , Chen Tieqiao , Yang Jia , Han Li‐Biao
Published: August 2015

Arylphosphine oxides (III) and (V) as well as arylphosphines (VII) are readily prepared by a Ni‐catalyzed cross‐coupling of aryl nitriles with the corresponding P—H compounds.
ChemInform Abstract: Broensted Acid‐Catalyzed Phenylselenenylation of Internal Olefins.
Authors: Wu Ping , Huang Fei , Lou Jiang , Wang Quannan , Liu Zhuqing , Yu Zhengkun
Published: August 2015

Treatment of olefins (I) and (VI) with phenylseleno reagent (II) affords selenated products.
ChemInform Abstract: β‐Selective One‐Pot Fluorophosphorylation of D,D‐Heptosylglycals Mediated by Selectfluor.
Authors: Vincent Stephane P. , Tikad Abdellatif
Published: August 2015

A novel method for the fluorophosphorylation is applied to several heptose‐derived glycals.
ChemInform Abstract: Flash Chemistry Using Trichlorovinyllithium: Switching the Reaction Pathways by High‐Resolution Reaction Time Control.
Authors: Nagaki Aiichiro , Takahashi Yusuke , Henseler Andrea , Matsuo Chika , Yoshida Jun‐ichi
Published: August 2015

Different types of products are obtained from a single parent compound in a flow microreactor system by control of the residence times.
ChemInform Abstract: Hybrid Materials Based on Magnetic Layered Double Hydroxides: A Molecular Perspective
Authors: Abellan Gonzalo , Marti‐Gastaldo Carlos , Ribera Antonio , Coronado Eugenio
Published: August 2015

Review: 49 refs.
ChemInform Abstract: Elegant Design of Electrode and Electrode/Electrolyte Interface in Lithium‐Ion Batteries by Atomic Layer Deposition
Authors: Liu Jian , Sun Xueliang
Published: August 2015

Review: 212 refs
ChemInform Abstract: Aza‐Nickelacycle Key Intermediate in Nickel(0)‐Catalyzed Transformation Reactions
Authors: Ohashi Masato , Hoshimoto Yoichi , Ogoshi Sensuke
Published: August 2015

Review: 92 refs.
ChemInform Abstract: Vanadium in Asymmetric Synthesis: Emerging Concepts in Catalyst Design and Applications
Authors: Takizawa Shinobu , Groeger Harald , Sasai Hiroaki
Published: August 2015

Review: [18 refs.
ChemInform Abstract: Synthesis and Applications of Azolylpurine and Azolylpurine Nucleoside Derivatives
Authors: Novosjolova Irina , Bizdena Erika , Turks Maris
Published: August 2015

Review: [91 refs.
ChemInform Abstract: Organocatalytic Routes Toward Substituted 1,2,3‐Triazoles
Authors: John Jubi , Thomas Joice , Dehaen Wim
Published: August 2015

Review: [58 refs.
ChemInform Abstract: Reaction Integration Using Electrogenerated Cationic Intermediates
Authors: Yoshida Jun‐ichi , Shimizu Akihiro , Ashikari Yosuke , Morofuji Tatsuya , Hayashi Ryutaro , Nokami Toshiki , Nagaki Aiichiro
Published: August 2015

Review: [37 refs.
ChemInform Abstract: Recent Progress in Ionic Liquids and Their Applications in Organic Synthesis
Authors: Hajipour Abdol R. , Rafiee Fatemeh
Published: August 2015

Review: 161 refs
ChemInform Abstract: Hide and Seek: Identification and Confirmation of Small Molecule Protein Targets
Authors: Ursu Andrei , Waldmann Herbert
Published: August 2015

Review: 65 refs.
ChemInform Abstract: Heterogeneous Catalytic Conversion of CO2: A Comprehensive Theoretical Review
Authors: Li Yawei , Chan Siew Hwa , Sun Qiang
Published: August 2015

Review: 140 refs.
ChemInform Abstract: From the Sabatier Principle to a Predictive Theory of Transition‐Metal Heterogeneous Catalysis
Authors: Medford Andrew J. , Vojvodic Aleksandra , Hummelshoej Jens S. , Voss Johannes , Abild‐Pedersen Frank , Studt Felix , Bligaard Thomas , Nilsson Anders , Noerskov Jens K.
Published: August 2015

Review: 56 refs.
Competitor identification, perceived environmental uncertainty, and firm performance
Authors: Yu Chung‐Long , Wang Fatima , Brouthers Keith D.
Published: August 2015

To create a competitive advantage and generate superior performance, firms must first identify rivals. However, there is little understanding of how perceived environmental uncertainty affects competitor identification, why some firms are better at identifying domestic versus foreign rivals, or how competitor identification is related to firm performance. In this paper we theorize that perceived environmental uncertainty is an important antecedent of competitor identification; it influences how many competitors a firm identifies. Our theory also suggests that different firm characteristics influence domestic/foreign competitor identification and that there is an inverted‐U shaped relationship between under/overidentification of competitors and firm performance. Based on a large sample of Taiwanese firms, we find support for each of these ideas. Our study helps reinforce the importance of competitor identification for firm success. Copyright © 2015 ASAC. Published by John Wiley & Sons, Ltd.
Risk stratification in patients with advanced‐stage breast cancer by pretreatment [18F]FDG PET/CT
Authors: Chen Suyun , Ibrahim Nuhad K. , Yan Yuanqing , Wong Stephen T. , Wang Hui , Wong Franklin C.
Published: August 2015

BACKGROUND

The objective of the current study was to investigate the prognostic value of pretreatment [18F] fluorodeoxyglucose position emission tomography/computed tomography ([18F]FDG PET/CT) in patients with advanced‐stage breast cancer.

METHODS

Pretreatment PET/CT scans from 240 consecutive patients with American Joint Committee on Cancer stage III or stage IV BC were analyzed retrospectively. Clinicopathological factors and metabolic parameters of the primary tumor including maximum standardized uptake value (SUVmax), metabolic tumor volume, and total lesion glycolysis (TLG) with a range of thresholds were compared to predict progression‐free survival (PFS) and overall survival (OS) using a time‐dependent receiver operating characteristic curve and Cox proportional hazards regression analyses.

RESULTS

SUVmax with a cutoff value of 6.0, TLG30% with a cutoff value of 158 g, and phenotype associated with PFS and OS were analyzed using multivariate analysis. The mean TLG30% of primary tumors for patients with stage III and stage IV disease was 405 g and 750 g (P = .010), respectively. Patients with triple‐negative breast cancer or a TLG30% >158 g or with both were categorized as being at high risk, and those with non‐triple‐negative breast cancer and a primary tumor with a TLG30% ≤158 g were defined as low risk. The 5‐year PFS rates for stage III disease among patients with low‐risk versus high‐risk BC were 85% and 67.5%, respectively. For patients with stage IV disease, the 5‐year PFS rates were 45% and 9%, respectively, for patients with low‐risk versus high‐risk disease. Patients with stage III and high‐risk BC had OS rates that were similar to those for patients with stage IV and low‐risk BC (P = .552).

CONCLUSIONS

The TLG30% from pretreatment PET/CT was found to independently correlate with survival outcomes and appears to be able to effectively stratify both patients with stage III and those with stage IV BC. Cancer 2015;121:3965–3974. © 2015 American Cancer Society.
Bioequivalence and comparative pharmacodynamics of insulin lispro 200 U/mL relative to insulin lispro (Humalog®) 100 U/mL
Authors: de la Peña Amparo , Seger Mary , Soon Danny , Scott Adam J. , Reddy Shobha R. , Dobbins Michael A. , Brown‐Augsburger Patricia , Linnebjerg Helle
Published: August 2015

Insulin lispro 200 U/mL (IL200) is a new strength formulation of insulin lispro (Humalog®, IL100), developed as an option for diabetic patients on higher daily mealtime insulin doses. This phase 1, open‐label, 2‐sequence, 4‐period crossover, randomized, 8‐hour euglycemic clamp study aimed to demonstrate the bioequivalence of IL200 and IL100 after subcutaneous administration of 20 U (U) to healthy subjects (n = 38). Pharmacokinetic (PK) and pharmacodynamic (PD) responses were similar in both formulations. All 90%CIs for the ratios of area under the concentration‐versus‐time curve from time zero to the time of the last measurable concentration (AUC0–tlast) and maximum observed drug concentration (Cmax), as well as the total glucose infused throughout the clamp (Gtot) and the maximum glucose infusion rate (Rmax), were contained within 0.80 and 1.25. Time of maximum observed drug concentration (tmax) was similar between formulations, with a median difference of 15 minutes and a 95%CI of the difference that included zero. Inter‐ and intrasubject variability estimates were similar for both formulations. Both formulations were well tolerated. IL200 was bioequivalent to IL100 after subcutaneous administration of 20‐U single doses, and PD responses were comparable between formulation strengths.
Structural, Vibrational and Electronic Properties of Defective Single‐Walled Carbon Nanotubes Functionalised with Carboxyl Groups: Theoretical Studies
Authors: Goclon Jakub , Kozlowska Mariana , Rodziewicz Pawel
Published: August 2015

Covalent sidewall functionalisation of defective zigzag single‐walled carbon nanotubes [SWCNTs(10,0)] with COOH groups is investigated by using DFT. Four types of point defects are considered: vacancy (V), divacancy [V2(5‐8‐5), V2(555‐777)], adatom (AA) and Stone–Wales (SW). The energetic, structural, electronic and vibrational properties of these systems are analysed. Decreasing reactivity is observed in the following order: AA>V>V2(555‐777)>V2(5‐8‐5)>SW. These studies also demonstrate that the position in which a carboxyl group is attached to a defective SWCNT is of primary importance. Saturation of two‐coordinate carbon atoms in systems with the vacancy V‐7 and with the adatom AA‐1(2) is 3.5–4 times more energetically favourable than saturation of three‐coordinate carbon atoms for all studied systems. Vibrational analysis for these two systems shows significant redshifts of the ν(CO) stretching vibration of 96 and 123 cm−1 compared to that for carboxylated pristine systems. Detailed electronic‐structure analysis of the most stable carboxylated systems is also presented.
Enhanced Lithium‐Ion Storage Capability of a Bismuth Sulfide/Graphene Oxide/Poly(3,4‐ethylenedioxythiophene) Composite
Authors: Mukkabla Radha , Deepa Melepurath , Srivastava Avanish Kumar
Published: August 2015

A Bi2S3/graphene oxide (GO) composite enwrapped by a poly(3,4‐ethylenedioxythiophene) (PEDOT) coating was prepared for the first time for use as an anode in Li‐ion batteries. Pristine Bi2S3 nanoflowers and composites of Bi2S3/GO and Bi2S3/GO/PEDOT were assembled into half cells with Li metal as the counter electrode, and initial discharge capacities of 833, 1020, and 1300 mAh g−1, respectively, were obtained. Composites of Bi2S3/GO/PEDOT and Bi2S3/GO showed superior cycling stability and better rate capability than pristine Bi2S3. GO provides highly conducting interconnections, which allow facile propagation of electrons during charge/discharge, and this improves the ion‐uptake capability of the Bi2S3 nanoflowers and also increases the rate capability. PEDOT furnishes a protective coating that prevents detachment of the material from the current collector during cycling, and it also imparts better cycling stability to the Bi2S3/GO/PEDOT composite.
Surface Buckling and Subsurface Oxygen: Atomistic Insights into the Surface Oxidation of Pt(111)
Authors: Fantauzzi Donato , Mueller Jonathan E. , Sabo Lehel , van Duin Adri C. T. , Jacob Timo
Published: August 2015

Platinum is a catalyst of choice in scientific investigations and technological applications, which are both often carried out in the presence of oxygen. Thus, a fundamental understanding of platinum’s (electro)catalytic behavior requires a detailed knowledge of the structure and degree of oxidation of platinum surfaces in operando. ReaxFF reactive force field calculations of the surface energies for structures with up to one monolayer of oxygen on Pt(111) reveal four stable surface phases characterized by pure adsorbate, high‐ and low‐coverage buckled, and subsurface‐oxygen structures, respectively. These structures and temperature programmed desorption (TPD) spectra simulated from them compare favorably with and complement published scanning tunneling microscopy (STM) and TPD experiments. The surface buckling and subsurface oxygen observed here influence the surface oxidation process, and are expected to impact the (electro)catalytic properties of partially oxidized Pt(111) surfaces.
How CO2 Interacts with Carboxylic Acids: A Rotational Study of Formic Acid–CO2
Authors: Vigorito Annalisa , Gou Qian , Calabrese Camilla , Melandri Sonia , Maris Assimo , Caminati Walther
Published: August 2015

The rotational spectra of the 1:1 formic acid–carbon dioxide molecular complex and of its monodeuterated isotopologues are analysed in the 6.5–18.5 and 59.6–74.4 GHz frequency ranges using a pulsed jet Fourier transform microwave spectrometer and a free‐jet absorption millimetre wave spectrometer, respectively. Precise values of the rotational and quartic centrifugal distortion constants are obtained from the measured frequencies, and quadrupole coupling constants are determined from the deuterium hyperfine splittings. Structural parameters are estimated from the moments of inertia and their differences among isotopologues: the complex has a planar structure with the two subunits held together by a HC(O)OH⋅⋅⋅O=CO (2.075 Å) and a HC(OH)O⋅⋅⋅CO2 (2.877 Å) interactions. The ab initio intermolecular binding energy, obtained at the counterpoise corrected MP2/aug‐cc‐pVTZ level of calculation, is De=17 kJ mol−1.
One‐pot Synthesis of PtSn Bimetallic Composites and Their Application as Highly Active Catalysts for Ethanol Electrooxidation
Authors: Feng Yue , Wang Caiqin , Bin Duan , Zhai Chunyang , Ren Fangfang , Yang Ping , Du Yukou
Published: August 2015

PtSn nanoparticles with different molar ratio are fabricated by chemical reduction to form a relatively efficient catalyst for ethanol electrooxidation in an alkaline solution of KOH (1.0 m) containing C2H5OH (1.0 m). The surface composition and structure of the as‐prepared catalysts are characterized by using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), and energy dispersive X‐ray spectroscopy (EDX). Cyclic voltammogram (CV) and chronoamperometric (CA) measurements are used to evaluate the electrochemical activity and stability of the as‐prepared catalysts. As the content of Sn in the catalysts changed, the catalysts showed different catalytic activity. The results indicate that the moderate addition of Sn can enhance the catalytic activity of Pt catalyst, and Pt3Sn1 displays the highest catalytic activity and stability among the as‐synthesized PtSn nanoparticles during the electrooxidation of ethanol.
Promising Targets for the Treatment of Neurodegenerative Diseases
Authors: Budd Haeberlein SL , Harris TJR
Published: August 2015

Genetics and pathology have proven to be an effective combination to identify an evolving and deepening landscape of pathways and potential therapeutic targets in neurodegenerative diseases. Initially this landscape appeared to be populated with distinct therapeutic targets but with potentially overlapping mechanisms in each neurodegenerative disease. Our understanding has expanded to recognize that multiple pathologies are common in neurodegenerative disease, and that there is considerable overlap in pathways and targets driving neurodegenerative diseases. This potentially opens the way for future treatments to be indicated by tissue pathology and genetic basis rather than clinical phenotype. The potential to treat neurodegenerative disease by addressing underlying pathophysiology is still in the early days and challenges remain, especially the likely need to address pathologies early in disease. This will require redefinition of diagnosis and the tools to enable earlier diagnosis.
Catechol‐O‐methyltransferase Val158met polymorphism interacts with early experience to predict executive functions in early childhood
Authors: Blair Clancy , Sulik Michael , Willoughby Michael , Mills‐ Koonce Roger , Petrill Stephen , Bartlett Christopher , Greenberg Mark ,   the Family Life Project Investigators
Published: August 2015

Numerous studies demonstrate that the Methionine variant of the catechol‐O‐methyltransferase Val158Met polymorphism, which confers less efficient catabolism of catecholamines, is associated with increased focal activation of prefrontal cortex (PFC) and higher levels of executive function abilities. By and large, however, studies of COMT Val158Met have been conducted with adult samples and do not account for the context in which development is occurring. Effects of early adversity on stress response physiology and the inverted U shape relating catecholamine levels to neural activity in PFC indicate the need to take into account early experience when considering relations between genes such as COMT and executive cognitive ability. Consistent with this neurobiology, we find in a prospective longitudinal sample of children and families (N = 1292) that COMT Val158Met interacts with early experience to predict executive function abilities in early childhood. Specifically, the Valine variant of the COMT Val158Met polymorphism, which confers more rather than less efficient catabolism of catecholamines is associated with higher executive function abilities at child ages 48 and 60 months and with faster growth of executive function for children experiencing early adversity, as indexed by cumulative risk factors in the home at child ages 7, 15, 24, and 36 months. Findings indicate the importance of the early environment for the relation between catecholamine genes and developmental outcomes and demonstrate that the genetic moderation of environmental risk is detectable in early childhood. © 2015 Wiley Periodicals, Inc. Dev Psychobiol 57: 833–841, 2015.
Efficient human face detection in infancy
Authors: Jakobsen Krisztina V. , Umstead Lindsey , Simpson Elizabeth A.
Published: August 2015

Adults detect conspecific faces more efficiently than heterospecific faces; however, the development of this own‐species bias (OSB) remains unexplored. We tested whether 6‐ and 11‐month‐olds exhibit OSB in their attention to human and animal faces in complex visual displays with high perceptual load (25 images competing for attention). Infants (n = 48) and adults (n = 43) passively viewed arrays containing a face among 24 non‐face distractors while we measured their gaze with remote eye tracking. While OSB is typically not observed until about 9 months, we found that, already by 6 months, human faces were more likely to be detected, were detected more quickly (attention capture), and received longer looks (attention holding) than animal faces. These data suggest that 6‐month‐olds already exhibit OSB in face detection efficiency, consistent with perceptual attunement. This specialization may reflect the biological importance of detecting conspecific faces, a foundational ability for early social interactions. © 2015 Wiley Periodicals, Inc. Dev Psychobiol 58:129–136, 2016.
The challenge of accurately documenting bee species richness in agroecosystems: bee diversity in eastern apple orchards
Authors: Russo Laura , Park Mia , Gibbs Jason , Danforth Bryan
Published: August 2015

Bees are important pollinators of agricultural crops, and bee diversity has been shown to be closely associated with pollination, a valuable ecosystem service. Higher functional diversity and species richness of bees have been shown to lead to higher crop yield. Bees simultaneously represent a mega‐diverse taxon that is extremely challenging to sample thoroughly and an important group to understand because of pollination services. We sampled bees visiting apple blossoms in 28 orchards over 6 years. We used species rarefaction analyses to test for the completeness of sampling and the relationship between species richness and sampling effort, orchard size, and percent agriculture in the surrounding landscape. We performed more than 190 h of sampling, collecting 11,219 specimens representing 104 species. Despite the sampling intensity, we captured <75% of expected species richness at more than half of the sites. For most of these, the variation in bee community composition between years was greater than among sites. Species richness was influenced by percent agriculture, orchard size, and sampling effort, but we found no factors explaining the difference between observed and expected species richness. Competition between honeybees and wild bees did not appear to be a factor, as we found no correlation between honeybee and wild bee abundance. Our study shows that the pollinator fauna of agroecosystems can be diverse and challenging to thoroughly sample. We demonstrate that there is high temporal variation in community composition and that sites vary widely in the sampling effort required to fully describe their diversity. In order to maximize pollination services provided by wild bee species, we must first accurately estimate species richness. For researchers interested in providing this estimate, we recommend multiyear studies and rarefaction analyses to quantify the gap between observed and expected species richness.
Early subtropical forest growth is driven by community mean trait values and functional diversity rather than the abiotic environment
Authors: Kröber Wenzel , Li Ying , Härdtle Werner , Ma Keping , Schmid Bernhard , Schmidt Karsten , Scholten Thomas , Seidler Gunnar , von Oheimb Goddert , Welk Erik , Wirth Christian , Bruelheide Helge
Published: August 2015

While functional diversity (FD) has been shown to be positively related to a number of ecosystem functions including biomass production, it may have a much less pronounced effect than that of environmental factors or species‐specific properties. Leaf and wood traits can be considered particularly relevant to tree growth, as they reflect a trade‐off between resources invested into growth and persistence. Our study focussed on the degree to which early forest growth was driven by FD, the environment (11 variables characterizing abiotic habitat conditions), and community‐weighted mean (CWM) values of species traits in the context of a large‐scale tree diversity experiment (BEF‐China). Growth rates of trees with respect to crown diameter were aggregated across 231 plots (hosting between one and 23 tree species) and related to environmental variables, FD, and CWM, the latter two of which were based on 41 plant functional traits. The effects of each of the three predictor groups were analyzed separately by mixed model optimization and jointly by variance partitioning. Numerous single traits predicted plot‐level tree growth, both in the models based on CWMs and FD, but none of the environmental variables was able to predict tree growth. In the best models, environment and FD explained only 4 and 31% of variation in crown growth rates, respectively, while CWM trait values explained 42%. In total, the best models accounted for 51% of crown growth. The marginal role of the selected environmental variables was unexpected, given the high topographic heterogeneity and large size of the experiment, as was the significant impact of FD, demonstrating that positive diversity effects already occur during the early stages in tree plantations.
Phylogenetic and ecological patterns in nighttime transpiration among five members of the genus Rubus co‐occurring in western Oregon
Authors: McNellis Brandon , Howard Ava R.
Published: August 2015

Nighttime transpiration is a substantial portion of ecosystem water budgets, but few studies compare water use of closely related co‐occurring species in a phylogenetic context. Nighttime transpiration can range up to 69% of daytime rates and vary between species, ecosystem, and functional type. We examined leaf‐level daytime and nighttime gas exchange of five species of the genus Rubus co‐occurring in the Pacific Northwest of western North America in a greenhouse common garden. Contrary to expectations, nighttime transpiration was not correlated to daytime water use. Nighttime transpiration showed pronounced phylogenetic signals, but the proportion of variation explained by different phylogenetic groupings varied across datasets. Leaf osmotic water potential, water potential at turgor loss point, stomatal size, and specific leaf area were correlated with phylogeny but did not readily explain variation in nighttime transpiration. Patterns in interspecific variation as well as a disconnect between rates of daytime and nighttime transpiration suggest that variation in nighttime water use may be at least partly driven by genetic factors independent of those that control daytime water use. Future work with co‐occurring congeneric systems is needed to establish the generality of these results and may help determine the mechanism driving interspecific variation in nighttime water use.
Synthesis and Structures of N‐Heterocyclic Carbene–Sulfonate Ruthenium Complexes and Their Applications in the Ring‐Opening Metathesis Polymerization of Norbornene
Authors: Li Minliang , Song Haibin , Wang Baiquan
Published: August 2015

A series of N‐heterocyclic carbene–sulfonate (NHC–sulfonate) p‐cymene ruthenium complexes (2a–2d) were synthesized in high yields from the reactions of NHC–sulfonate ligands with Ag2O and [(p‐cymene)RuCl2]2. All of the complexes were characterized fully by 1H and 13C NMR spectroscopy, high‐resolution mass spectrometry, and elemental analysis. The molecular structures of 2b and 2d were determined by single‐crystal X‐ray diffraction analysis. Upon activation with Et2AlCl, the ruthenium complexes 2a–2d showed excellent activities for the ring‐opening metathesis polymerization of norbornene and produced polymers with high molecular weights and narrow molecular weight distributions. Complex 2a can also efficiently catalyze the copolymerization of norbornene and cyclooctene. All of the obtained polymers were characterized by 1H and 13C NMR spectroscopy, gel permeation chromatography (GPC), and differential scanning calorimetry (DSC).