bluuebunny/crossref_metadata_2025 huggingface dataset:
The Properties of Individual Carbon Residuals and Their Influence on The Deactivation of Ni–CaO–ZrO2 Catalysts in CH4 Dry Reforming
Authors: Wang Changzhen , Sun Nannan , Zhao Ning , Wei Wei , Zhang Jun , Zhao Tiejun , Sun Yuhan , Sun Chenggong , Liu Hao , Snape Colin E.
Published: January 2014

Ni–CaO–ZrO2 catalysts with different properties were prepared and tested for CO2 reforming of methane. The catalysts were characterized by means of transmission electron microscopy, thermogravimetric analysis, Raman spectroscopy, X‐ray photoelectron spectroscopy, and X‐ray diffraction to reveal their distinct properties and carbon deposition behaviors in the reforming reaction. It was found that the catalyst prepared by a coprecipitation method and ageing by heating to reflux exhibited a nanocrystalline structure with strong metal–support interaction, which was responsible for both high activity and stability, but it also exhibited the highest carbon formation rate among the tested catalysts. This result suggests that catalyst deactivation might not necessarily correlate with the amount of formed carbon, and the individual properties of carbon residuals could play a more decisive role. Carbon residuals on different catalysts were identified as amorphous carbon, encapsulating carbon, whisker carbon, and graphite, which had different influence on the deactivation. On the surface of the most active and stable catalyst, the carbon species mainly consisted of amorphous and whisker carbon, suggesting that the formation of such carbon species does not necessarily lead to catalyst deactivation. In contrast, the deactivation was found to be closely related to the formation of encapsulating carbon and graphite, which could coat the catalyst surface. The accumulation of different carbon residuals was proven to follow a formation–diffusion/elimination scenario, which was significantly influenced by the Ni particle size and Ni–ZrO2 interactions.
Ring‐Opening Polymerization and Copolymerization of Propylene Oxide Catalyzed by N‐Heterocyclic Carbenes
Authors: Lindner Ronald , Lejkowski Michael L. , Lavy Séverine , Deglmann Peter , Wiss Kerstin T. , Zarbakhsh Sirus , Meyer Lars , Limbach Michael
Published: January 2014

Herein, we demonstrate the application of adducts of various N‐heterocyclic carbenes (NHCs) with CO2 (i.e., NHC–CO2) as precatalysts in the ring‐opening homopolymerization of propylene oxide (PO) onto diethylene glycol as a chain starter to give well‐defined polyether diols. The influence of various NHCs on the structure of the polymers and the mechanism of this reaction were investigated both experimentally and through DFT calculations. With this methodology, copolymers of PO and the monomers ε‐caprolactone and (S,S)‐lactide are accessible.
Expanding the Chemical Diversity in Artificial Imine Reductases Based on the Biotin–Streptavidin Technology
Authors: Quinto Tommaso , Schwizer Fabian , Zimbron Jeremy M. , Morina Albert , Köhler Valentin , Ward Thomas R.
Published: January 2014

We report on the optimization of an artificial imine reductase based on the biotin‐streptavidin technology. With the aim of rapidly generating chemical diversity, a novel strategy for the formation and evaluation of biotinylated complexes is disclosed. Tethering the biotin‐anchor to the Cp* moiety leaves three free coordination sites on a d6 metal for the introduction of chemical diversity by coordination of a variety of ligands. To test the concept, 34 bidentate ligands were screened and a selection of the 6 best was tested in the presence of 21 streptavidin (Sav) isoforms for the asymmetric imine reduction by the resulting three legged piano stool complexes. Enantiopure α‐amino amides were identified as promising bidentate ligands: up to 63 % ee and 190 turnovers were obtained in the formation of 1‐phenyl‐1,2,3,4‐tetrahydroisoquinoline with [IrCp*biotin(L‐ThrNH2)Cl]⊂SavWT as a catalyst.
Hydroxyl Group‐Assisted Palladium‐Catalyzed Lactonization of Homoallylic Alcohols
Authors: Huang Liangbin , Wang Qian , Wu Wanqing , Jiang Huanfeng
Published: January 2014

A convenient and highly efficient synthesis of α‐methylene‐γ‐lactones through the palladium(II)‐catalyzed lactonization of homoallylic alcohols with alkynamides has been reported. The hydroxyl group in the terminal olefins cooperates with the amide in alkynamides to promote the cyclization by suppressing the β‐H elimination. This process provides a route to construct naturally occurring biologically multifunctional α‐methylene‐γ‐lactones.
Gold‐Catalyzed Cyclization of Diynes: Controlling the Mode of 5‐endo versus 6‐endo Cyclization—An Experimental and Theoretical Study by Utilizing Diethynylthiophenes
Authors: Hansmann Max M. , Tšupova Svetlana , Rudolph Matthias , Rominger Frank , Hashmi A. Stephen K.
Published: January 2014

Herein, a dual‐gold catalyzed cyclization of 3,4‐diethynylthiophenes generating pentaleno[c]thiophenes through gold–vinylidenes and CH bond activation is disclosed. Various new heteroaromatic compounds—substrate classes unexplored to date—exhibiting three five‐membered annulated ring systems could be synthesized in moderate to high yields. By comparison of the solid‐state structures of the corresponding gold–acetylides, it could be demonstrated that the cyclization mode (5‐endo versus 6‐endo) is controlled by the electronic and not steric nature of the diyne backbone. Depending on different backbones, we calculated thermodynamic stabilities and full potential‐energy surfaces giving insight into the crucial dual‐activation cyclization step. In the case of the 3,4‐thiophene backbone, in which the initial cyclization is rate and selectivity determining, two energetically distinct transition states could be localized explaining the observed 5‐endo cyclization mode by classical transition‐state theory. In the case of vinyl and 2,3‐thiophene backbones, the theoretical analysis of the cyclization mode in the bifurcated cyclization area demonstrated that classical transition‐state theory is no longer valid to explain the high experimentally observed selectivity. Herein, for the first time, the influence of the backbone and the aromatic stabilization effect of the 6‐endo product in the crucial cyclization step could be visualized and quantified by calculating and comparing the full potential‐energy surfaces.
A Janus‐Headed Lewis Superacid: Simple Access to, and First Application of Me3Si‐F‐Al(ORF)3
Authors: Rohde Michael , Müller Lutz O. , Himmel Daniel , Scherer Harald , Krossing Ingo
Published: January 2014

Upon reaction of gaseous Me3SiF with the in situ prepared Lewis acid Al(ORF)3, the stable ion‐like silylium compound Me3Si‐F‐Al(ORF)3 1 forms. The Janus‐headed 1 is a readily available smart Lewis acid that differentiates between hard and soft nucleophiles, but also polymerizes isobutene effectively. Thus, in reactions of 1 with soft nucleophiles (Nu), such as phosphanes, the silylium side interacts in an orbital‐controlled manner, with formation of [Me3SiNu]+ and the weakly coordinating [FAl(ORF)3]– or [(FRO)3Al‐F‐Al(ORF)3]– anions. If exchanged for hard nucleophiles, such as primary alcohols, the aluminum side reacts in a charge‐controlled manner, with release of FSiMe3 gas and formation of the adduct R(H)OAl(ORF)3. Compound 1 very effectively initiates polymerization of 8 to 21 mL of liquid C4H8 in 50 mL of CH2Cl2 already at temperatures between −57 and −30 °C with initiator loads as low as 10 mg in a few seconds with 100 % yield but broad polydispersities.
A General Strategy for the Catalytic, Highly Enantio‐ and Diastereoselective Synthesis of Indolizidine‐Based Alkaloids
Authors: Abels Falko , Lindemann Chris , Schneider Christoph
Published: January 2014

Sixteen indolizidine‐based alkaloids (IBAs) that were isolated as poison constituents of the skin of frogs were synthesized in a highly flexible and stereoselective manner. As a key step, a three‐component, organocatalytic, highly enantio‐ and diastereoselective vinylogous Mukaiyama–Mannich reaction was employed furnishing optically highly enriched butyrolactams as central intermediates on a multigram scale. The attached six‐membered ring was constructed through cyclization of the pendant enoate moiety onto the pyrrolidine ring. The absolute configuration of the bridgehead chiral center and the adjacent 8‐position was established in the initial vinylogous Mannich reaction, whereas the 3‐ and 5‐substituents were introduced through organometallic addition at a late stage of the synthesis with full stereochemical control from the substrate. With this strategy, simple as well as even more complex alkaloids were accessible in good overall yields as single stereoisomers. These syntheses also served to establish the absolute and relative configuration of those IBAs that had never been synthesized before.
ChemInform Abstract: New Orthorhombic Derivative of CaCu5‐Type Structure: RNi4Si Compounds (R: Y, La, Ce, Sm, Gd—Ho), Crystal Structure and Some Magnetic Properties.
Authors: Morozkin A. V. , Knotko A. V. , Yapaskurt V. O. , Yuan Fang , Mozharivskyj Y. , Nirmala R.
Published: January 2014

The title compounds are prepared by arc melting of stoichiometric mixtures of the elements followed by annealing (argon, 1070 K, 200 h; quenching).
ChemInform Abstract: Cu3V2O8 Hollow Spheres in Photocatalysis and Primary Lithium Batteries.
Authors: Zhang Shaoyan , Sun Yan , Li Chunsheng , Ci Lijie
Published: January 2014

Cu3V2O8 hollow spheres are prepared from aqueous suspensions of colloidal carbon spheres as template, CuSO4, and NH4VO3 (room temp., 3 h, followed by heat treatment at 500 °C in air for 2 h).
ChemInform Abstract: Rapid Spontaneous Alloying Between Pd Nanocubes and Ag Nanoparticles in Aqueous Solution at Ambient Temperature.
Authors: Tsuji Masaharu , Shiraishi Chihiro , Hattori Masashi , Yajima Atsuhiko , Mitarai Masahito , Uto Keiko , Takemura Koichi , Nakashima Yukinori
Published: January 2014

Spontaneous alloying between equal amounts of Pd nanocubes and Ag nanoparticles is observed in liquid phase.
ChemInform Abstract: Organocatalytic Enantioselective Michael Addition of Silyl Malonate to α,β‐Unsaturated Enones: One‐Pot Synthesis of Chiral δ‐Keto Esters.
Authors: Lee Ji Yeon , Kim Dae Young
Published: January 2014

A one‐pot enantioselective synthesis of δ‐keto esters via an organocatalytic domino sequence of conjugate addition reaction/desilylation/decarboxylation of silyl malonate (II) to enones is given.
ChemInform Abstract: Highly Chemo‐ and Regioselective Reaction of Hydroxybenzenes in Acidic Ionic Liquid.
Authors: Guo Hui , Zhuang Yu Wei , Cao Jian , Zhang Guo Bao
Published: January 2014

The reaction of hydroxybenzenes with α,β‐unsaturated compounds in acidic ionic liquid leads to a series of oxa‐Michael adducts or Friedel—Crafts alkylated products.
ChemInform Abstract: Efficient Synthesis of Heterocyclic Neurotensin Receptor Ligands by Microwave‐Assisted Aminocarbonylation.
Authors: Lang Christopher , Gmeiner Peter
Published: January 2014

Conversion of functionalized aryl bromides (I) to the corresponding amides (V) including the potent neurotensin NTS1 receptor SR142948A (IVd) is developed using aminocarbonylation with Mo(CO)6 as the CO source.
ChemInform Abstract: Rhodium‐Catalyzed Oxygenative Addition to Terminal Alkynes for the Synthesis of Esters, Amides, and Carboxylic Acids.
Authors: Kim Insu , Lee Chulbom
Published: January 2014

This is a versatile method for the direct transformation of terminal alkynes into various carboxylic acid derivatives.
ChemInform Abstract: Palladium‐Catalyzed Alkyne Insertion/Reduction Route to Trisubstituted Olefins.
Authors: Fruchey Erin R. , Monks Brendan M. , Patterson Andrea M. , Cook Silas P.
Published: January 2014

A new route to trisubstituted olefins through a palladium‐catalyzed alkyne insertion/reduction reaction with unactivated alkyl iodides is reported.
ChemInform Abstract: Synthesis of Substituted Nitroolefins: A Copper Catalyzed Nitrodecarboxylation of Unsaturated Carboxylic Acids.
Authors: Rokade Balaji V. , Prabhu Kandikere Ramaiah
Published: January 2014

A novel, mild and convenient method for the nitrodecarboxylation of cinnamic acids using tBu‐O‐NO as nitrating source is developed.
ChemInform Abstract: 2,2′‐Biphenols via Protecting Group‐Free Thermal or Microwave‐Accelerated Suzuki—Miyaura Coupling in Water.
Authors: Schmidt Bernd , Riemer Martin , Karras Manfred
Published: January 2014

These methods use simple conditions with readily available catalysts and reagents.
ChemInform Abstract: Phenylated Benzotetraphenes (Dibenzanthracenes) by Nickel‐Catalyzed Diphenylacetylene Cycloadditions to Linear [3]Phenylenes.
Authors: Gu Zhenhua , Vollhardt K. Peter C.
Published: January 2014

The cycloaddition of diphenylacetylene to linear phenylenes proceeds via initial formation of phenanthrene derivatives (III).
ChemInform Abstract: Palladium‐Catalyzed Heteroallylation of Unactivated Alkenes — Synthesis of Citalopram (XII).
Authors: Hewitt Joanne F. M. , Williams Lewis , Aggarwal Pooja , Smith Craig D. , France David J.
Published: January 2014

The presented method affords a wide range of biologically relevant heterocyclic compounds.
ChemInform Abstract: Synthesis of Dihydrobenzofurans with Quaternary Carbon Center under Mild and Neutral Conditions.
Authors: Takeda Norihiko , Ueda Masafumi , Kagehira Syunsuke , Komei Hiroyuki , Tohnai Norimitsu , Miyata Mikiji , Naito Takeaki , Miyata Okiko
Published: January 2014

A new method is developed for the construction of dihydrobenzofurans from O‐aryloxime ethers bearing an α‐cyano group via a sequential regioselective isomerization/[3,3]‐sigmatropic rearrangement/cyclization reaction without any catalysts.
ChemInform Abstract: Synthesis of Indoles with a Polyfluorinated Benzene Ring.
Authors: Politanskaya Larisa V. , Chuikov Igor P. , Shteingarts Vitalij D.
Published: January 2014

Polyfluorinated 2‐iodoanilines are found to undergo a sequential Sonogashira coupling followed by KOH‐promoted cyclization of the 2‐alkynylaniline intermediates to yield 2‐substituted indoles.
ChemInform Abstract: Aerobic Ru‐Catalyzed Direct C2‐Olefination of N‐Heteroarenes with Alkenes Directed by a Removable N‐Dimethylcarbamoyl Group.
Authors: Zhang Luo‐Qiang , Yang Shiping , Huang Xiaolei , You Jingsong , Song Feijie
Published: January 2014

Selective C2‐olefination of indoles (I) and (IV), pyrrole (X), and carbazole (XIII) is efficiently accomplished using oxygen as the terminal oxidant.
ChemInform Abstract: Enantioenriched Isoindolinones from Chiral Phase‐Transfer‐Catalyzed Intramolecular Aza‐Michael Reactions.
Authors: Sallio Romain , Lebrun Stephane , Schifano‐Faux Nadege , Goossens Jean‐Francois , Agbossou‐Niedercorn Francine , Deniau Eric , Michon Christophe
Published: January 2014

Optimized reaction conditions including a optically active tris cinchonium catalyst are developed for the intramolecular aza‐Michael reactions of benzamide substrates to afford isoindolinones with moderate enantioselectivities.
ChemInform Abstract: Enantioselective Synthesis of Quaternary 3‐Aminooxindoles via Organocatalytic Asymmetric Michael Addition of 3‐Monosubstituted 3‐Aminooxindoles to Nitroolefins.
Authors: Cui Bao‐Dong , Han Wen‐Yong , Wu Zhi‐Jun , Zhang Xiao‐Mei , Yuan Wei‐Cheng
Published: January 2014

This method yields 3‐aminooxindoles with adjacent quaternary and tertiary stereocenters in good yields and with good diastereo‐ and enantioselectivities under mild reaction conditions.
ChemInform Abstract: Electrosynthesis of Imidazolium Carboxylates.
Authors: de Robillard Guillaume , Devillers Charles H. , Kunz Doris , Cattey Helene , Digard Eric , Andrieu Jacques
Published: January 2014

For the first time the synthesis of imidazolium carboxylates is efficiently achieved by electrochemical reduction of imidazolium salts under very mild conditions.
ChemInform Abstract: Cyclocondensation of β‐(Aryl/Heteroaryl)methylaminoenones with Thionyl Chloride: A Facile General Approach for the Synthesis of 2,4‐Bis(het)aryl‐5(het)aroylthiazoles.
Authors: Swaroop Toreshettahally R. , Ila Hiriyakkanavar , Rangappa Kanchugarakoppal
Published: January 2014

The reported strategy allows a novel entry to 2,4,5‐trisubstituted thiazoles avoiding the limitations of Hantzsch type condensations.
ChemInform Abstract: Copper‐Catalyzed Synthesis of Benzo[b]thiophenes and Benzothiazoles Using Thiocarboxylic Acids as a Coupling Partner.
Authors: Yu Hui , Zhang Meishu , Li Yuzhe
Published: January 2014

Substrates with a methyl group in α‐position of the PPh3‐group do not react under these conditions to yield the corresponding 3‐methylbenzothiophene.
ChemInform Abstract: Porous Copper Catalyzed Click Reaction in Water.
Authors: Zhang Chen , Huang Bo , Chen Ying , Cui Dong‐Mei
Published: January 2014

A very efficient, green, and sustainable one‐pot synthesis of triazoles is developed.
ChemInform Abstract: Synthesis of Tetrazole Containing 1,2,3‐Thiadiazole Derivatives via U‐4CR and Their anti‐TMV Activity.
Authors: Fan Zhi‐Jin , et al. et al.
Published: January 2014

A series of novel tetrazole‐containing thiadiazole derivatives (IV) (13 examples) are designed and synthesized using an Ugi four‐component reaction.
ChemInform Abstract: Formation of Highly Substituted Tetrahydropyranones: Application to the Total Synthesis of Cyanolide A.
Authors: Tay Gidget C. , Gesinski Michael R. , Rychnovsky Scott D.
Published: January 2014

The condensation of α‐hydroxy silyl enol ethers with aldehydes is optimized in order to synthesize 2,6‐disubstituted 3,3‐dimethyltetrahydropyran‐4‐ones.
ChemInform Abstract: Rhodium(III)‐Catalyzed C—H Activation Mediated Synthesis of Isoquinolones from Amides and Cyclopropenes.
Authors: Hyster Todd K. , Rovis Tomislav
Published: January 2014

A method to access 4‐substituted isoquinolines is developed using the Rh(III)‐catalyzed reaction of O‐pivaloyl benzhydroxamic acids with cyclopropenes.
ChemInform Abstract: Efficient Construction of C=N Double Bonds via Acceptorless Dehydrogenative Coupling.
Authors: Sun Xiang , Hu Yu , Nie Shao‐zhen , Yan Yun‐yun , Zhang Xue‐jing , Yan Ming
Published: January 2014

An unprecedented strategy for the direct imidation of sp3 C—H bonds is presented.
ChemInform Abstract: Conformationally Assisted Lactamizations for the Synthesis of Symmetrical and Unsymmetrical Bis‐2,5‐diketopiperazines.
Authors: Katritzky Alan R. , et al. et al.
Published: January 2014

The new lactamization strategy to convert open‐chain N‐Cbz‐protected‐peptidoyl benzotriazolides uses proline as a turn introducer into symmetrical diketopyrazines [cf.
ChemInform Abstract: Stereodivergent Access to cis‐ and trans‐3,5‐Disubstituted 1,4‐Thiazane 1‐Oxides by Cyclization of Homochiral β‐Amino Sulfoxides and Sulfones. The Preparation of Isomeric Ant Venom Alkaloids.
Authors: Soederman Stefan C. , Schwan Adrian L.
Published: January 2014

(E)‐1‐Alkenyl‐2‐aminoalkyl sulfoxides undergo base‐promoted trans‐selective cyclization to give trans‐3,5‐disubstituted thiazanes.
ChemInform Abstract: Flexible Access to Conformationally‐Locked Bicyclic Morpholines.
Authors: Bogacki Rachael , Gill Duncan M. , Kerr William J. , Lamont Scott , Parkinson John A. , Paterson Laura C.
Published: January 2014

This describes the synthesis of several examples of the title motif, e.
ChemInform Abstract: Facile One‐Pot Assembly of Imidazotriazolobenzodiazepines via Indium(III)‐Catalyzed Multicomponent Reactions.
Authors: Nguyen Huy H. , Palazzo Teresa A. , Kurth Mark J.
Published: January 2014

The simple protocol allows the synthesis of the title compounds via tandem InCl3‐catalyzed cyclocondensation and intramolecular azide‐alkyne 1,3‐dipolar cycloaddition.
ChemInform Abstract: Insertion of Reactive Rhodium Carbenes into Boron—Hydrogen Bonds of Stable N‐Heterocyclic Carbene Boranes.
Authors: Li Xiben , Curran Dennis P.
Published: January 2014

This method also works with substituted imidazole‐borane adducts as well as 1,2,4‐triazole‐derived borane adducts.
ChemInform Abstract: The Preparation of Trisubstituted Alkenyl Nucleoside Phosphonates under Ultrasound‐Assisted Olefin Cross‐Metathesis.
Authors: Sari Ozkan , Hamada Manabu , Roy Vincent , Nolan Steven P. , Agrofoglio Luigi A.
Published: January 2014

Title compounds (III) undergo regioselective chemoenzymatic deacetylation.The best results are obtained with Candida antarctica lipase B to afford monoalcohol (IV) which reacts with various pyrimidine and purine derivatives under Mitsunobu conditions.
ChemInform Abstract: SnCl4/Sn Catalyzed Chemoselective Reduction of Glycopyranosyl Azides for the Synthesis of Diversely Functionalized Glycopyranosyl Chloroacetamides.
Authors: Sahoo Laxminarayan , Singhamahapatra Anadi , Paul Katuri J. V. , Loganathan Duraikkannu
Published: January 2014

The method is suitable for various protecting groups as well as for sugar azides bearing alkene or alkyne functional groups (not shown).
ChemInform Abstract: Concise Synthesis of the Multiply Oxygenated ABC‐Ring System of the Dihydro‐β‐agarofurans.
Authors: Ishiyama Tomochika , Urabe Daisuke , Fujisawa Hiroki , Inoue Masayuki
Published: January 2014

Diels—Alder reactions of the lactones (I) and (II) is optimized with respect to selective production of the exo‐adduct (III) thus establishing the C5‐ and C10‐tetrasubstituted and C2‐alkoxy‐substituted stereocenter for the conversion to the ABC‐ring fragment (IV*) of dihydro‐β‐agarofurans.
ChemInform Abstract: Selective Deprotection Method of N‐Phenylcarbamoyl Group.
Authors: Akai Shoji , Tanaka Rika , Hoshi Hidekazu , Sato Ken‐ichi
Published: January 2014

This method selectively deprotects N‐phenylcarbamoyl groups while tolerating a variety of other protecting groups and functionalities.
ChemInform Abstract: Synthesis of 6‐Sulfonatomethyl Thioglycosides by Nucleophilic Substitution: Methods to Prevent 1→6 Anomeric Group Migration of Thioglycoside 6‐O‐Triflates.
Authors: Herczeg Mihaly , Mezoe Erika , Eszenyi Daniel , Lazar Laszlo , Csavas Magdolna , Bereczki Ilona , Antus Sandor , Borbas Aniko
Published: January 2014

It is found that α‐thioglycosides and conformationally locked beta‐thioglycosides can be successfully transformed into biologically 6‐sulfonatomethyl derivatives.
ChemInform Abstract: Double Asymmetric Induction in Organocatalyzed Aldol Reactions: Total Synthesis of (+)‐2‐epi‐Hyacinthacine A2 and (‐)‐3‐epi‐Hyacinthacine A1.
Authors: Marjanovic Jasna , Divjakovic Vladimir , Matovic Radomir , Ferjancic Zorana , Saicic Radomir N.
Published: January 2014

The aldol reaction of dioxanone with the chiral aldehyde (I) in the presence of D‐ or L‐proline allows access to the title compounds.
ChemInform Abstract: Carbon Insertion into Borane Clusters via Nucleophilic Addition Reactions of Borane and Carborane Anions
Authors: Stibr Bohumil
Published: January 2014

Review: 63 refs.
ChemInform Abstract: Heterocyclic Chemistry
Authors: Aldabbagh Fawaz
Published: January 2014

Review: main modes of heterocyclic‐ring synthesis in 2012; 65 refs.
ChemInform Abstract: Mukaiyama Aldol Reactions in Aqueous Media
Authors: Kitanosono Taku , Kobayashi Shu
Published: January 2014

Review: <150 refs.
ChemInform Abstract: Developments in the Synthesis of 1,2‐Dihydropyridines
Authors: Silva Eduarda M. P. , Varandas Pedro A. M. M. , Silva Artur M. S.
Published: January 2014

Review: 106 refs.
ChemInform Abstract: A Radical Process Towards the Development of Transition‐Metal‐Free Aromatic Carbon—Carbon Bond‐Forming Reactions
Authors: Chan Tek Long , Wu Yinuo , Choy Pui Ying , Kwong Fuk Yee
Published: January 2014

Review: 56 refs.
ChemInform Abstract: Synthesis of Heterocyclic Compounds Through Palladium‐Catalyzed C—H Cyclization Processes
Authors: Inamoto Kiyofumi
Published: January 2014

Review: 70 refs.
ChemInform Abstract: CO2 Activation and Catalysis Driven by Iridium Complexes
Authors: Fernandez‐Alvarez Francisco J. , Iglesias Manuel , Oro Luis A. , Polo Victor
Published: January 2014

Review: 108 refs.
ChemInform Abstract: Trifluoromethyl Ketones: Properties, Preparation, and Application
Authors: Kelly Christopher B. , Mercadante Michael A. , Leadbeater Nicholas E.
Published: January 2014

Review: 186 refs.
ChemInform Abstract: Control of Chemical Reactions and Synthesis by Low‐Energy Electrons
Authors: Boehler Esther , Warneke Jonas , Swiderek Petra
Published: January 2014

Review: low energy electron‐initiated molecular synthesis and their applications in the modification of surfaces; 50 refs.
ChemInform Abstract: Cellular Nanotechnology: Making Biological Interfaces Smarter
Authors: Mendes Paula M.
Published: January 2014

Review: 59 refs.
ChemInform Abstract: Recent Advances in Water/Alcohol‐Soluble π‐Conjugated Materials: New Materials and Growing Applications in Solar Cells
Authors: Duan Chunhui , Zhang Kai , Zhong Chengmei , Huang Fei , Cao Yong
Published: January 2014

Review: 256 refs.
A new utility calculation model for axial flow of non‐Newtonian fluid in concentric annuli
Authors: Haobo Zhou , Honghai Fan , Yinghu Zhai , Qi Peng
Published: January 2014

A new utility approach that is independent of the rheological model is presented for the flow of non‐Newtonian fluids in concentric annulus. The novel model was developed without assuming that the generalised flow index remains constant over all shear rate ranges. Based on the slot model, the flow rate expressions for all common rheological models flowing in annuli were obtained, such as the Herschel–Bulkley model, the Robertson–Stiff model, and the Four‐parameter model, and they all can be solved numerically to obtain accurate wall shear rate and shear stress. Following Metzner and Reed's study, we defined a generalised flow index for non‐Newtonian fluid flow in annuli. Through a theoretical analysis, we also defined a new effective diameter for non‐Newtonian fluid flow in annuli, which accounts for the effects both of annulus geometry and fluid rheology but which is different from that was proposed by Reed and Pilehvari. Through the generalised effective diameter we linked non‐Newtonian annular flow with Newtonian pipe flow. A general annular Reynolds number expression was derived from this method for conditions under which the generalised flow index is variable. A theoretical calculation method for the generalised flow index and a uniform pressure loss calculation model for non‐Newtonian flow in concentric annuli were developed, which are applicable to all time‐independent non‐Newtonian fluid. The predictions of this model have been compared with an extensive set of data from the literature. The comparisons of different fluids in different size annuli show very good agreement over the entire range of flow types.
Atypical cytologic diagnostic category in EUS‐FNA of the pancreas: Follow‐up, outcomes, and predictive models
Authors: Alston Evan , Bae Sejong , Eltoum Isam A.
Published: January 2014

BACKGROUND

The objective of this study was to assess how atypical diagnostic category (ADC) is followed up, its outcomes, and the predictors that are associated with subsequent diagnosis of neoplasm/malignancy.

METHODS

We reviewed pancreatic endoscopic ultrasound fine‐needle aspiration (EUS‐FNA) with ADC and compared the rate of detection of neoplasms after a repeat FNA, a biopsy/resection, or a clinical follow‐up following ADC. Logistic regression was used to determine the factors associated with the diagnosis of a neoplastic or a malignant lesion following ADC. Predictive probability for each case was calculated on the basis of the significant predictors, and whether it improved diagnostic performance was assessed.

RESULTS

Of 3832 cases that received pancreatic EUS‐FNAs, 187 (4.9%) were ADC. A total of 93 neoplasms (55%), including 61 carcinomas (36%), were detected after an atypical cytologic diagnosis. Similar rates of detecting neoplasms were observed after repeat FNA or biopsy/resection but higher than after clinical follow‐up. The presence of a mass, history of alcohol use, and absence of a history of pancreatitis were significant predictors of a higher rate of diagnosis of neoplasm. Weight loss and bile flow obstruction were more likely to be associated with higher rates of carcinoma. Predictive probability demonstrated a wide range of risk and changed the ambiguous diagnosis to informative in 30% of cases.

CONCLUSIONS

ADC of pancreas is associated with a high risk of benign and malignant neoplasms regardless of the method of follow‐up. The presences of a mass, alcohol use, and absence of a history of pancreatitis are significant predictors of a diagnosis of neoplasm, whereas weight loss and bile duct obstruction are significant predictors of ductal carcinoma following an ADC. Cancer (Cancer Cytopathol) 2014;122:428–434. © 2013 American Cancer Society.
The Influence of N‐doped Carbon Materials on Supported Pd: Enhanced Hydrogen Storage and Oxygen Reduction Performance
Authors: Kong Xiang‐Kai , Chen Qian‐Wang , Lun Zheng‐Yan
Published: January 2014

N‐doped graphene has become an important support for Pd in both hydrogen storage and catalytic reactions. The molecular orbitals of carbon materials (including graphene, fullerene, and small carbon clusters) and those of the supported Pd species will hybrid much stronger as N dopants are introduced, owing to the increased electrostatic attraction at the interface. This enhances the carbon substrates′ catching force for the supported Pd, preventing its leaching and aggregation in many practical applications. The better dispersion and stabilization of Pd nanoparticles, which are induced by various carbon supports with N‐doping, are pleasing to us and could increase their efficiency and facilitate their recycling during various reaction processes in several fields.
Cooperative and Diminutive Effects of Pnicogen Bonds and Cation–π Interactions
Authors: Li Qingzhong , Zhuo Hongying , Yang Xin , Cheng Jianbo , Li Wenzuo , Loffredo Robert E.
Published: January 2014

The interplay between pnicogen bonds and cation–π interactions has been investigated at the MP2/aug‐cc‐pVDZ level. Interesting cooperative and diminutive effects are observed when pnicogen bonds and cation–π interactions coexist in the same complex. These effects have been analyzed in terms of the structural, energetic, and charge‐transfer properties of the complexes. The variations in electron density at critical points of the intermolecular bond have been used to analyze bond strengthening or weakening. The nature of the interactions and the mechanisms of cooperative and diminutive effects have been studied by means of symmetry‐adapted perturbation theory and molecular electrostatic potentials.
Exponential state estimator design for discrete‐time neural networks with discrete and distributed time‐varying delays
Authors: Duan Qihui , Park Ju H. , Wu Zheng‐Guang
Published: January 2014

In this article, the probl of state estimation for discrete‐time neural networks with mixed time‐varying delays is investigated. The mixed time delays consist of both discrete and distributed delays. An appropriate Lyapunov–Krasovskii functional put forward to reflect the mixed time‐varying delays is proposed to establish sufficient conditions for the existence of admissible state estimators. The conditions are described in the form of linear matrix inequalities (LMIs), which guarantee the estimation error to be globally exponentially stable in the presence of mixed time‐varying delays. Then, the desired estimator matrix gain can be characterized in terms of the solution to these LMIs. A numerical example is addressed to show the effectiveness of the proposed design method. © 2014 Wiley Periodicals, Inc. Complexity 20: 38–48, 2014
A single institution experience with the new bethesda system for reporting thyroid cytopathology: Correlation with existing cytologic, clinical, and histological data
Authors: McElroy Michele K. , Mahooti Sepi , Hasteh Farnaz
Published: January 2014

Our goal was to evaluate the Bethesda system (TBS) in comparison to the previously used system at our institution. One hundred consecutive thyroid fine needle aspirations (FNAs) and 45 consecutive indeterminate FNAs were reviewed by two cytopathology‐boarded pathologists, diagnosed based on TBS and correlated with management and follow‐up. Re‐evaluation led to a diagnosis change in 48% of cases. Thirty‐nine percent of benign cases were unsatisfactory under TBS. For malignant diagnoses the positive predictive value (PPV) was unchanged, while the negative predictive value (NPV) was slightly improved using TBS. Both the PPV and NPV were improved for actionable diagnoses. Inter‐observer variability across all categories was in moderate agreement. Clinical management of both follicular lesion (FL) and indeterminate cases ranged from none to immediate surgery. Repeat FNA resolved the diagnosis in 50% of indeterminate cases. Indeterminate cases had an overall malignancy rate of 27%; higher in pre‐ (46%) than post‐TBS cases (8%). Inter‐observer variability between the reviewing pathologists and the original pathologists for indeterminate cases was fair, and between the two reviewing pathologists was moderate. Using TBS criteria increased the unsatisfactory rate and led to improved prediction of malignancy and actionable diagnoses. The pre‐Bethesda diagnosis of FL at our institution led to inconsistent clinical management. Clinical management of patients with indeterminate diagnoses was essentially unchanged following adoption of TBS. The moderate inter‐observer agreement between the reviewing pathologists may be related to level of cytology experience, strict adherence to TBS, and the exclusive use of cytomorphology for diagnosis. Diagn. Cytopathol. 2014;42:564–569. © 2014 Wiley Periodicals, Inc.
Distance from forest edge affects bee pollinators in oilseed rape fields
Authors: Bailey Samantha , Requier Fabrice , Nusillard Benoît , Roberts Stuart P. M. , Potts Simon G. , Bouget Christophe
Published: January 2014

Wild pollinators have been shown to enhance the pollination of Brassica napus (oilseed rape) and thus increase its market value. Several studies have previously shown that pollination services are greater in crops adjoining forest patches or other seminatural habitats than in crops completely surrounded by other crops. In this study, we investigated the specific importance of forest edges in providing potential pollinators in B. napus fields in two areas in France. Bees were caught with yellow pan traps at increasing distances from both warm and cold forest edges into B. napus fields during the blooming period. A total of 4594 individual bees, representing six families and 83 taxa, were collected. We found that both bee abundance and taxa richness were negatively affected by the distance from forest edge. However, responses varied between bee groups and edge orientations. The ITD (Inter‐Tegular distance) of the species, a good proxy for bee foraging range, seems to limit how far the bees can travel from the forest edge. We found a greater abundance of cuckoo bees (Nomada spp.) of Andrena spp. and Andrena spp. males at forest edges, which we assume indicate suitable nesting sites, or at least mating sites, for some abundant Andrena species and their parasites (Fig. ). Synthesis and Applications. This study provides one of the first examples in temperate ecosystems of how forest edges may actually act as a reservoir of potential pollinators and directly benefit agricultural crops by providing nesting or mating sites for important early spring pollinators. Policy‐makers and land managers should take forest edges into account and encourage their protection in the agricultural matrix to promote wild bees and their pollination services.

Left, a Nomada sp male; right, an Andrena sp male.

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Testing the ecological consequences of evolutionary change using elements
Authors: Jeyasingh Punidan D. , Cothran Rickey D. , Tobler Michael
Published: January 2014

Understanding the ecological consequences of evolutionary change is a central challenge in contemporary biology. We propose a framework based on the ~25 elements represented in biology, which can serve as a conduit for a general exploration of poorly understood evolution‐to‐ecology links. In this framework, known as ecological stoichiometry, the quantity of elements in the inorganic realm is a fundamental environment, while the flow of elements from the abiotic to the biotic realm is due to the action of genomes, with the unused elements excreted back into the inorganic realm affecting ecological processes at higher levels of organization. Ecological stoichiometry purposefully assumes distinct elemental composition of species, enabling powerful predictions about the ecological functions of species. However, this assumption results in a simplified view of the evolutionary mechanisms underlying diversification in the elemental composition of species. Recent research indicates substantial intraspecific variation in elemental composition and associated ecological functions such as nutrient excretion. We posit that attention to intraspecific variation in elemental composition will facilitate a synthesis of stoichiometric information in light of population genetics theory for a rigorous exploration of the ecological consequences of evolutionary change.
Sex differences in cardiomyopathies
Authors: Meyer Sven , van der Meer Peter , van Tintelen J. Peter , van den Berg Maarten P.
Published: January 2014

Cardiomyopathies are a heterogeneous group of heart muscle diseases with a variety of specific phenotypes. According to the contemporary European Society of Cardiology classification, they are classified into hypertrophic (HCM), dilated (DCM), arrhythmogenic right ventricular (ARVC), restrictive (RCM), and unclassified cardiomyopathies. Each class is aetiologically further categorized into inherited (familial) and non‐inherited (non‐familial) forms. There is substantial evidence that biological sex is a strong modulator of the clinical manifestation of these cardiomyopathies, and sex‐specific characteristics are detectable in all classes. For the clinician, it is important to know the sex‐specific aspects of clinical disease expression and the potential modes of inheritance or the hereditary influences underlying the development of cardiomyopathies, since these may aid in diagnosing such diseases in both sexes.
Comparison of pollution prevention assessments for the facilities with and without energy star certification
Authors: Velagapudi Srikar , Kumar Ashok , Spivak Alex , Franchetti Matthew
Published: January 2014

The objective of this paper is to determine and compare the energy efficiency, energy savings, and pollution prevention for the two hypothetical facilities in USA, “XY”, and “BC”, with and without Energy Star® certification (Statement of Energy Performance [SEP]), respectively. Three different tools—Energy Assessment Spreadsheet (EAS), Economic Input Output Life Cycle Assessment (EIOLCA), and P2 calculators were used in assessing the energy usage and pollution prevention. The energy assessment survey was conducted using the EAS to determine the reduction in energy use and to perform the cost‐benefit analysis (CBA). A change in environmental impacts due to use of energy efficient lighting was assessed by the EIOLCA. The P2 was used in estimating the greenhouse gas (GHG) emissions and energy savings. Analysis showed a reduction of 58 MTCO2e (metric tons of CO2 equivalents) GHGs with a savings of $6878 for the facility “XY” and 493 MTCO2e GHGs with a savings of $55,089 for facility “BC”. The energy savings calculated with respect to square feet of area were observed to be 0.18 and 20.00 kWh/year, respectively, for XY and BC facilities. © 2014 American Institute of Chemical Engineers Environ Prog, 33: 1366–1372, 2014
New insights into the age and formation of the Ankarokaroka lavaka and its associated sandy cover (NW Madagascar, Ankarafantsika natural reserve)
Authors: Mietton Michel , Cordier Stéphane , Frechen Manfred , Dubar Michel , Beiner Monique , Andrianaivoarivony Rafolo
Published: January 2014

Lavaka represent a typical erosional landform in Madagascar. The chronology of their formation remains, however, under discussion. Our research focuses on the Ankarokaroka lavaka, a spectacular landform located in NW Madagascar (Ankarafantsika natural reserve), which is characterized by the presence of sandy units of regional extension at its top. The two main units correspond to white and red sands, and are closely associated with specific vegetations (dry dense forest for the white sands, savannah grasslands for the red sands). We applied a geochronological approach based on Optically Stimulated Luminescence (for the coversands) associated with radiocarbon dating performed on archaeological remains found at the contact between the sands and the lavaka. The combination of this approach with field work and sedimentological analyses makes it possible to show that the sands experienced a complex history, both in terms of sedimentation and post‐sedimentary pedogenesis (podzolization of the white sands, rubefaction of the red sands). The numerical ages furthermore indicate that the Ankarokaroka lavaka formed between 18.5 ± 2.3 ka ago and the 14th century AD. The present study demonstrates that this lavaka has a climatic origin, and highlights the potential of OSL to date sediments associated with Madagascar lavaka. Copyright © 2014 John Wiley & Sons, Ltd.
Interaction of functionalized fullerenes and metal accumulation in Daphnia magna
Authors: Yu Zhi-Guo , Wang Wen-Xiong
Published: January 2014

In aquatic environments, transformation of pollutants by association with functionalized carbon-based nanoparticles can dramatically change their cycling pathways. The present study quantified the uptake and depuration behavior of cadmium and zinc bound with functionalized fullerene nanoparticles (f-nC60) in a freshwater cladoceran, Daphnia magna, in a well-dispersed medium. Metal uptake proceeded with a linear pattern during the 8-h exposure period, and the uptake rate constants (ku) were 1.3-fold to 1.4-fold higher for Cd or comparable for Zn bound with f-nC60 than those of the free ones. The assimilation efficiencies of Cd and Zn bound with f-nC60 were significantly enhanced when compared with those metals bound with algal food. Furthermore, the depuration of metals bound with f-nC60 was relatively slower compared to the depuration of metals bound with carbon nanotubes. A longer exposure to f-nC60 resulted in an even slower depuration of metals. The authors conclude that metal binding with f-nC60 as modified nanoparticles could serve as a new pathway for the elevated metal accumulation in Daphnia. Environ Toxicol Chem 2014;33:1122–1128. © 2014 SETAC
Lifelong exposure to methylmercury disrupts stress-induced corticosterone response in zebra finches (Taeniopygia guttata)
Authors: Moore Christina S. , Cristol Daniel A. , Maddux Sarah L. , Varian-Ramos Claire W. , Bradley Eric L.
Published: January 2014

Mercury can disrupt the endocrine systems of mammals and fish, but little is known about its effects on avian hormones. The authors employed an experimental manipulation to show that methylmercury suppresses the stress-induced corticosterone response in birds, an effect previously unreported in the literature. Corticosterone regulates many normal metabolic processes, such as the maintenance of proper blood glucose levels during stressful daily fasting; an inability to increase corticosterone levels in response to stressors renders a bird less able to face a wide array of environmental challenges. The authors studied reproductively mature zebra finches that had been exposed to 0.0 µg/g, 0.3 µg/g, 0.6 µg/g, 1.2 µg/g, or 2.4 µg/g (wet wt) dietary methylmercury throughout their life (i.e., from the egg onward). In contrast to some field studies, the present study found no significant change in baseline plasma corticosterone concentrations attributable to chronic methylmercury exposure. However, a comparison between the baseline corticosterone levels and levels after 30 min of handling stress revealed that the ability of birds to mount a stress response was reduced with increasing blood total mercury concentration. These results are consistent with adrenal corticoid disruption caused by chronic mercury exposure and mirror a similar study on free-living nestling songbirds exposed to environmental mercury. Environ Toxicol Chem 2014;33:1072–1076. © 2014 SETAC
Chemical composition, antioxidant, antimicrobial and cytotoxic activities of Tagetes minuta and Ocimum basilicum essential oils
Authors: Shirazi Mohsen Taheri , Gholami Hamid , Kavoosi Gholamreza , Rowshan Vahid , Tafsiry Asad
Published: January 2014

Chemical composition, antioxidant, antimicrobial and cytotoxic activities of Tagetes minuta (TM) essential oil (TMO) and Ocimum basilicum (OB) essential oil (OBO) were examined. The main components for TMO were dihydrotagetone (33.9%), E‐ocimene (19.9%), tagetone (16.1%), cis‐β‐ocimene (7.9%), Z‐ocimene (5.3%), limonene (3.1%) and epoxyocimene (2.03%). The main components for OBO were methylchavicol (46.9%), geranial (19.1%), neral (15.15%), geraniol (3.0%), nerol (3.0%), caryophyllene (2.4%). Inhibitory concentrations (IC50) for reactive oxygen species (ROS) and reactive nitrogen species (RNS) scavenging were 12–17 and 200–250 μg/mL of TMO and OBO, respectively. Minimal inhibitory concentration (MIC) against Salmonella typhi, Escherichia coli, Staphylococcus aureus, Bacillus subtilis, Aspergillus niger, and Candida albicans were 150 ± 8, 165 ± 9, 67 ± 8, 75 ± 7, 135 ± 15, and 115 ± 8 μg/mL of TMO, respectively. MIC for S. typhi, E. coli, S. aureus, B. subtilis, A. niger, and C. albicans were 145 ± 8, 160 ± 7, 45 ± 4, 40 ± 3, 80 ± 9, and 95 ± 7 μg/mL of OBO, respectively. IC50 for nasopharyngeal cancer cell line (KB) and liver hepatocellular carcinoma cell line (HepG2) were 75 ± 5 and 70 ± 4 μg/mL of TMO, respectively. IC50 for KB and HepG2 were 45 ± 4 and 40 ± 3 μg/mL of OBO, respectively. Thus, they could be used as an effective source of natural antioxidant and antibacterial additive to protect foods from oxidative damages and foodborne pathogens. Furthermore, they could be promising candidate for antitumor drug design.
Testing Gene–Gene Interactions in Genome Wide Association Studies
Authors: Hu Jie Kate , Wang Xianlong , Wang Pei
Published: January 2014

Detection of gene–gene interaction has become increasingly popular over the past decade in genome wide association studies (GWAS). Besides traditional logistic regression analysis for detecting interactions between two markers, new methods have been developed in recent years such as comparing linkage disequilibrium (LD) in case and control groups. All these methods form the building blocks of most screening strategies for disease susceptibility loci in GWAS. In this paper, we are interested in comparing the competing methods and providing practical guidelines for selecting appropriate testing methods for interaction in GWAS. We first review a series of existing statistical methods to detect interactions, and then examine different definitions of interactions to gain insight into the theoretical relationship between the existing testing methods. Lastly, we perform extensive simulations to compare powers of various methods to detect either interaction between two markers at two unlinked loci or the overall association allowing for both interaction and main effects. This investigation reveals informative characteristics of various methods that are helpful to GWAS investigators.