bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Metal‐ and Reagent‐Free Highly Selective Anodic Cross‐Coupling Reaction of Phenols.
Authors: Elsler Bernd , Schollmeyer Dieter , Dyballa Katrin Marie , Franke Robert , Waldvogel Siegfried R.
Published: September 2014

Boron‐doped diamond electrodes allow the direct anodic cross‐coupling of phenols in hexafluoroisopropanol without using leaving functions or protecting groups.
ChemInform Abstract: Rhodium‐Catalyzed Tandem Hydroformylation/Arylation Reaction with Boronic Acids.
Authors: Almeida Ana R. , Dias Roberto D. , Monteiro Carlos J. P. , Abreu Artur R. , Gois Pedro M. P. , Bayon J. Carles , Pereira Mariette M.
Published: September 2014

A rhodium/triphenylphosphine catalytic system is employed for the tandem hydroformylation/arylation reactions of aryl olefins to give branched secondary alcohols with high regioselectivity.
ChemInform Abstract: Convenient and Mild Epoxidation of Alkenes Using Heterogeneous Cobalt Oxide Catalysts.
Authors: Banerjee Debasis , Jagadeesh Rajenahally V. , Junge Kathrin , Pohl Marga‐Martina , Radnik Joerg , Brueckner Angelika , Beller Matthias
Published: September 2014

A general epoxidation of aromatic and aliphatic olefins, including renewable olefins such as (R)‐(+)‐limonene (V), geraniol acetate (VII), and vitamin derivative (IX), are developed.
ChemInform Abstract: Phosphine‐Catalyzed Domino Reactions: A Route to Functionalized Bicyclic Skeletons.
Authors: Li Erqing , Huang You
Published: September 2014

Phosphine‐catalyzed cycloadditions of allenoates with unsaturated α‐ketoesters is developed.
ChemInform Abstract: Highly Efficient Heterogeneous Synthesis of Benzofurans under Aqueous Condition.
Authors: Sun Shi‐Xin , Wang Jun‐Jie , Xu Zi‐Jun , Cao Lu‐Ya , Shi Zi‐Fa , Zhang Hao‐Li
Published: September 2014

The reactions can be performed without microwave irradiation providing the corresponding products after significantly longer reaction times in lower yields.
ChemInform Abstract: Direct C—H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine‐Free Bis(alkoxo)palladium Complex.
Authors: Li Yabo , Wang Jingran , Huang Mengmeng , Wang Zhiwei , Wu Yusheng , Wu Yangjie
Published: September 2014

An efficient and regioselective phosphine‐free arylation of thiophenes, benzothiophene, benzofuran and pyrrole derivatives is presented.
ChemInform Abstract: Ruthenium(II)‐Catalyzed C(sp3)—H α‐Alkylation of Pyrrolidines.
Authors: Schinkel Marvin , Wang Lianhui , Bielefeld Kris , Ackermann Lutz
Published: September 2014

The mild addition of unactivated alkenes to pyrrolidines with a removable directing group is reported.
ChemInform Abstract: Diethylzinc‐Promoted Synthesis of Trifluromethyl‐Containing Tryptamine Analogues from Indoles and 2‐Trifluromethyl‐N‐(4‐toluenesulfonyl)‐aziridine.
Authors: Hirotaki Kensuke , Yamada Yasunori , Hanamoto Takeshi
Published: September 2014

Biologically valuable CF3‐tryptamines are prepared with excellent yields and regioselectivities.
ChemInform Abstract: Intramolecular Aminocyanation of Alkenes by Cooperative Palladium/Boron Catalysis.
Authors: Miyazaki Yosuke , Ohta Naoki , Semba Kazuhiko , Nakao Yoshiaki
Published: September 2014

The presented process gives access to variously substituted indolines and pyrrolidines bearing tri‐ or foursubstituted carbons through the cleavage of N—CN bonds.
ChemInform Abstract: Enantio‐ and Diastereoselective Synthesis of Spiro‐Epoxyoxindoles.
Authors: Boucherif Amina , Yang Qing‐Qing , Wang Qiang , Chen Jia‐Rong , Lu Liang‐Qiu , Xiao Wen‐Jing
Published: September 2014

Highly enantioenriched spiro‐epoxyoxindoles are obtained from isatins and chiral sulfur ylides generated in situ from camphor‐derived sulfonium salts.
ChemInform Abstract: Synthesis and Self‐Assemblies of Bithiophene Functionalized 1H‐Pyrazole Derivatives.
Authors: Park Jung Su
Published: September 2014

The title compounds (III) are obtained by Pd‐catalyzed Stille cross‐coupling reactions.
ChemInform Abstract: Synthesis and Catalytic Applications of Ruthenium(0) Nanoparticles in Click Chemistry.
Authors: Kumar Avvaru Praveen , Baek Min‐Wook , Sridhar Chirumarry , Kumar Begari Prem , Lee Yong‐Ill
Published: September 2014

The Ru(0)‐nanoparticles are used as smooth catalyst for the azide‐alkyne cycloaddition reactions.
ChemInform Abstract: Enantioselective Synthesis of Functionalized Fluorinated Dihydropyrano[2,3‐c]pyrazoles Catalyzed by a Simple Bifunctional Diaminocyclohexane‐thiourea.
Authors: Zhang Hong‐Fei , Ye Zheng‐Qing , Zhao Gang
Published: September 2014

A diaminocyclohexane‐thiourea catalyzed cascade Michael addition and Thorpe—Ziegler type cyclization providing fluorinated dihydropyranopyrazoles with moderate to good enantioselectivity is presented.
ChemInform Abstract: Copper‐Catalyzed Direct Amination of Quinoline N‐Oxides via C—H Bond Activation under Mild Conditions.
Authors: Zhu Chongwei , Yi Meiling , Wei Donghui , Chen Xuan , Wu Yangjie , Cui Xiuling
Published: September 2014

A simple and high efficient copper‐catalyzed synthesis of 2‐aminoquinolines via direct C—H amination of quinoline N‐oxide is reported.
ChemInform Abstract: Directed C—H Alkenylation of Quinoline N‐Oxides at the C‐8 Position Using a Cationic Rhodium(I) Catalyst.
Authors: Shibata Takanori , Matsuo Yusuke
Published: September 2014

A novel method using a N‐oxide directing group is developed for the regioselective C‐8‐alkenylation of quinoline N‐oxides with diarylacetylenes to give predominantly E‐products.
ChemInform Abstract: A Transition Metal‐Free Minisci Reaction: Acylation of Isoquinolines, Quinolines, and Quinoxaline.
Authors: Siddaraju Yogesh , Lamani Manjunath , Prabhu Kandikere Ramaiah
Published: September 2014

A novel acylation method for heterocyclic compounds is developed.
ChemInform Abstract: Synthesis of Imidazo[1,2‐a]pyridines Using Fe3O4@SiO2 as an Efficient Nanomagnetic Catalyst via a One‐Pot Multicomponent Reaction.
Authors: Maleki Ali
Published: September 2014

The title compounds (IV) are obtained by an one‐pot three‐component reaction of pyridin‐2‐amines (I), aldehydes (III) and terminal alkynes (II).
ChemInform Abstract: Synthesis of Imidazo[1,2‐a]pyridines and Pyrido[1,2‐a]pyrimidines in Water and Their SNAr Cyclizations.
Authors: Chanu Langpoklakpam Gellina , Singh Thokchom Prasanta , Jang Yong Ju , Yoon Yong‐Jin , Singh Okram Mukherjee , Lee Sang‐Gyeong
Published: September 2014

The title compounds [(IV) and (VII)] are obtained by an one‐pot three‐component reaction of α‐oxoketenedithioacetals, diamines, and DMAD.
ChemInform Abstract: Modular Assembly of Ring‐Fused and π‐Extended Phenanthroimidazoles via C—H Activation and Alkyne Annulation.
Authors: Zheng Liyao , Hua Ruimao
Published: September 2014

A series of ring‐fused and π‐extended phenanthroimidazoles are synthesized via rhodium(III)‐catalyzed C—H activation and alkyne annulation.
ChemInform Abstract: Synthesis of Substituted Tetrahydroindoloisoquinoline Derivatives via Intramolecular Pd‐Catalyzed Alkene Carboamination Reactions.
Authors: Alicea Jeremiah , Wolfe John P.
Published: September 2014

The uncommon class of tetrahydroindoloisoquinolines is accessible via intramolecular Pd‐catalyzed alkene carboamination reaction starting from readily available 2‐allyl‐N‐(2‐bromobenzyl)anilines as substrates.
ChemInform Abstract: Synthesis of Fused Benzimidazole—Quinoxalinones via UDC Strategy and Following the Intermolecular Nucleophilic Substitution Reaction.
Authors: Chen Zhong‐Zhu , Zhang Jin , Tang Dian‐Yong , Xu Zhi‐Gang
Published: September 2014

The synthesis of the title compounds is achieved through a four or three component Ugi reaction/deprotection/cyclization sequence followed by base mediated cyclization.
ChemInform Abstract: Cu(I)‐Catalyzed Regio‐ and Stereoselective [6 + 3] Cycloaddition of Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged Azabicyclo[4.3.1]decadienes.
Authors: Teng Huai‐Long , Yao Lu , Wang Chun‐Jiang
Published: September 2014

The described reaction allows complete stereo‐ and regiocontrol and is applicable to imino esters obtained from aromatic, as well as aliphatic aldehydes to afford the products in high yields and with excellent enantioselectivities.
ChemInform Abstract: SnAP Reagents for the One‐Step Synthesis of Medium‐Ring Saturated N‐Heterocycles from Aldehydes.
Authors: Vo Cam‐Van T. , Luescher Michael U. , Bode Jeffrey W.
Published: September 2014

The presented copper‐promoted cross‐coupling reaction works under mild conditions and accepts a broad scope of diverse aryl, heteroaryl, glyoxylic, and aliphatic aldehydes.
ChemInform Abstract: Regioselective Nucleophilic Addition of Organometallic Reagents to 3‐Geminal Bis(silyl) N‐Acyl Pyridinium.
Authors: Wu Ya , Li Linjie , Li Hongze , Gao Lu , Xie Hengmu , Zhang Zhigao , Su Zhishan , Hu Changwei , Song Zhenlei
Published: September 2014

The regioselective nucleophilic addition of organometallic reagents to 3‐substituted pyridine is described.
ChemInform Abstract: Synthesis of Dibenzophosphole Oxides via Palladium‐Catalyzed Intramolecular Direct Arylation Reactions of ortho‐Halodiarylphosphine Oxides.
Authors: Cui Yuming , Fu Lingzi , Cao Jian , Deng Yuan , Jiang Jianxiong
Published: September 2014

A facile protocol is developed for the synthesis of dibenzophosphole oxides through palladium‐catalyzed direct arylation reaction of readily available ortho‐halodiarylphosphine oxides.
ChemInform Abstract: Floccosic Acid, a New Triterpenic Acid from Nepeta floccosa
Authors: Ali Liaqat , Ali Samina , Hussain Javid , Al‐Harrasi Ahmed , Khan Abdul Latif , Shah Syed Tasleem Hussain , Rizvi Tania Shamim
Published: September 2014

isolation and structure determination
ChemInform Abstract: Organocatalytic Asymmetric Formation of Steroids.
Authors: Halskov Kim Soeholm , Donslund Bjarke S. , Barfuesser Sebastian , Joergensen Karl Anker
Published: September 2014

A facile one‐pot protocol for the synthesis of steroids via Diels—Alder reaction of enals with cyclic dienophiles in the presence of catalytic amounts of Tms‐diphenylprolinol (PRS) is developed.
ChemInform Abstract: [2,3]‐Sigmatropic Rearrangement of Allylic Selenimides: Strategy for the Synthesis of Peptides, Peptidomimetics, and N‐Aryl Vinyl Glycines.
Authors: Armstrong Alan , Emmerson Daniel P. G. , Milner Harry J. , Sheppard Robert J.
Published: September 2014

The scope of the NCS‐mediated amination/[2,3]‐sigmatropic rearrangement of enantioenriched allylic selenides is expanded to provide access to the product classes listed in title.
ChemInform Abstract: Tandem Deprotection—Dimerization—Macrocyclization Route to C2 Symmetric cyclo‐Tetrapeptides.
Authors: Katritzky Alan R. , et al. et al.
Published: September 2014

A general palladium‐promoted method for the dimerization of Cbz‐protected dipeptidoyl benzotriazolides is described.
ChemInform Abstract: Chrotacumines G—J, Chromone Alkaloids from Dysoxylum acutangulum with Osteoclast Differentiation Inhibitory Activity.
Authors: Morita Hiroshi , Nugroho Alfarius Eko , Nagakura Yuta , Hirasawa Yusuke , Yoshida Haruka , Kaneda Toshio , Shirota Osamu , Ismail Intan Safinar
Published: September 2014

The chromone alkaloids, chrotacumines G‐J [(Ia)‐(Id)] are obtained from the barks of Dysoxylum acutangulum.
ChemInform Abstract: A New Tricyclic Undecose Nucleoside from Streptomyces scopuliridis RB72.
Authors: Choi Chun Whan , Choi Jung‐Sup , Ko Young Kwan , Kim Chang‐Jin , Kim Young Ho , Oh Joa Sub , Ryu Shi Yong , Yon Gyu Hwan
Published: September 2014

The nucleoside antibiotic constituent, herbicidin K (I), is isolated along with three known nucleoside antibiotic constituents, herbicidin A,B,F from Streptomyces scopuliridis RB72.
ChemInform Abstract: The Total Syntheses of Guttiferone A (I) and 6‐epi‐Guttiferone A (II).
Authors: Horeischi Fiene , Biber Nicole , Plietker Bernd
Published: September 2014

The stereoselective total syntheses of the title compounds, representatives of the natural product class of polyprenylated polycyclic acylphloroglucinols, are presented in a series of 10 steps with total control over the formation of four adjacent stereocenters.
ChemInform Abstract: Alkaloids and Citrinins from Marine‐Derived Fungus Nigrospora oryzae SCSGAF 0111.
Authors: Dong Jie‐Jie , Bao Jie , Zhang Xiao‐Yong , Xu Xin‐Ya , Nong Xu‐Hua , Qi Shu‐Hua
Published: September 2014

The new compound, nigrospine (I), alkaloid nigrospin A (II), and the two new citrinins (III) are isolated from the title fungus, together with three known compounds.
ChemInform Abstract: Transformation and Storage of Solar Energy: Photochemistry and ‐catalysis for Future Energy Supply
Authors: Haessner Carmen , Koehler Klaus , Wussow Katharina
Published: September 2014

Review: 39 refs.
ChemInform Abstract: A Review on Fabrication Methods of BiFeO3 Thin Films
Authors: Huang Yaoting , Fu Xiuli , Zhao Xiaohong , Tang Weihua
Published: September 2014

Review: 26 refs.
ChemInform Abstract: Iron‐Catalyzed Synthesis of Heterocycles
Authors: Majumdar Krishna C. , De Nirupam , Ghosh Tapas , Roy Brindaban
Published: September 2014

Review: [194 refs.
ChemInform Abstract: Recent Advances and Perspectives in Copper‐Catalyzed Sonogashira Coupling Reactions
Authors: Thomas Anns Maria , Sujatha Asha , Anilkumar Gopinathan
Published: September 2014

Review: 55 refs.
ChemInform Abstract: Lauraceae Alkaloids
Authors: Custodio Dayana Lacerda , Florencio da Veiga Valdir Jr.
Published: September 2014

Review: diversity and relevance to chemosystematic relationships; 193 refs.
ChemInform Abstract: Preparation of CO2/Diene Copolymers: Advancing Carbon Dioxide Based Materials
Authors: Fiorani Giulia , Kleij Arjan W.
Published: September 2014

Review: 35 refs.
ChemInform Abstract: Asymmetric Organocatalytic Epoxidations: Reactions, Scope, Mechanisms, and Applications
Authors: Davis Rebecca L. , Stiller Julian , Naicker Tricia , Jiang Hao , Joergensen Karl Anker
Published: September 2014

Review: [125 refs.
ChemInform Abstract: Synthesis of (Poly)fluorobiphenyls Through Metal‐Catalyzed C—H Bond Activation/Arylation of (Poly)fluorobenzene Derivatives
Authors: He Mian , Soule Jean‐Francois , Doucet Henri
Published: September 2014

Review: 197 refs.
ChemInform Abstract: Direct Functionalization with Complete and Switchable Positional Control: Free Phenol as a Role Model
Authors: Yu Da‐Gang , de Azambuja Francisco , Glorius Frank
Published: September 2014

Review: recent breakthroughs in site‐selective and direct functionalization of free phenols by transition‐metal‐catalyzed C—O or C—H bond activation; 22 refs.
ChemInform Abstract: Catalytic Control over the Formation of Supramolecular Materials
Authors: Eelkema Rienk , van Esch Jan H.
Published: September 2014

Review: [20 refs.
ChemInform Abstract: Asymmetric Synthesis of Cyclopropylamine Derivatives
Authors: Mao Yongjun , Wang Han , Zhou Xiaokun
Published: September 2014

Review: [65 refs.
ChemInform Abstract: Bimetallic Catalysts for Hydrogenation in Liquid Phase
Authors: Especel Catherine , Duprez Daniel , Epron Florence
Published: September 2014

Review: 47 refs.
ChemInform Abstract: Synthetic Oligosaccharides as Active Pharmaceutical Ingredients: Lessons Learned from the Full Synthesis of One Heparin Derivative on a Large Scale
Authors: Driguez Pierre‐Alexandre , Potier Pierre , Trouilleux Patrick
Published: September 2014

Review: 67 refs.
ChemInform Abstract: Phosphinate‐Containing Heterocycles: A Mini‐Review
Authors: Berger Olivier , Montchamp Jean‐Luc
Published: September 2014

Review: recent efforts towards the synthesis of phosphinate heterocycles; 38 refs.
ChemInform Abstract: Discovery of Frustrated Lewis Pairs: Intermolecular FLPs for Activation of Small Molecules
Authors: Stephan Douglas W.
Published: September 2014

Review: 129 refs.
ChemInform Abstract: Sortagging: A Robust and Efficient Chemoenzymatic Ligation Strategy
Authors: Ritzefeld Markus
Published: September 2014

Review: 126 refs.
ChemInform Abstract: The Chemistry and Biology of 6‐Hydroxyceramide, the Youngest Member of the Human Sphingolipid Family
Authors: Kovacik Andrej , Roh Jaroslav , Vavrova Katerina
Published: September 2014

Review: [51 refs.
ChemInform Abstract: Synthesis of New Verapamil Analogues and Their Evaluation in Combination with Rifampicin Against Mycobacterium tuberculosis and Molecular Docking Studies in the Binding Site of Efflux Protein Rv1258c
Authors: Singh Kawaljit , Kumar Malkeet , Pavadai Elumalai , Naran Krupa , Warner Digby F. , Ruminski Peter G. , Chibale Kelly
Published: September 2014

Review: [20 refs.
ChemInform Abstract: Confronting the Challenges of Discovery of Novel Antibacterial Agents
Authors: Singh Sheo B.
Published: September 2014

Review: 73 refs.
ChemInform Abstract: The Importance of Various Anchoring Groups Attached on Porphyrins as Potential Dyes for DSSC Applications
Authors: Ladomenou K. , Kitsopoulos T. N. , Sharma G. D. , Coutsolelos A. G.
Published: September 2014

Review: 124 refs.
ChemInform Abstract: Supported Metal Catalysts for Alcohol/Sugar Alcohol Steam Reforming
Authors: Davidson Stephen D. , Zhang He , Sun Junming , Wang Yong
Published: September 2014

Review: 128 refs.
ChemInform Abstract: Solid‐State NMR as a Spectroscopic Tool for Characterizing Phosphane‐Borane Frustrated Lewis Pairs
Authors: Wiegand Thomas , Eckert Hellmut , Grimme Stefan
Published: September 2014

Review: 65 refs.
ECVT imaging of 3D spiral bubble plume structures in gas‐liquid bubble columns
Authors: Wang Aining , Marashdeh Qussai , Fan Liang‐Shih
Published: September 2014

Electrical Capacitance Volume Tomography (ECVT) is a 3D, real‐time imaging technique that is recently developed to image the multiphase flow behaviour in columns of regular or irregular geometries. In this study, the ECVT measurements are conducted to obtain phase holdups and flow structures in bubble columns of a straight‐cylinder shape and a tapered‐cylinder shape with porous and orifice gas distributors. The phase holdups obtained by the ECVT in a straight‐cylinder bubble column with porous gas distributor are verified by other measurement techniques and correlation equations reported in the literature. The flow regimes of the bubble columns are also characterized by the ECVT. Particularly, a dynamic 3D flow structure, which is uniquely represented by the spiral motion of the bubble plumes occurring within the heterogeneous regime of the gas‐liquid flow in a straight‐cylinder shape bubble column with perforated distributor, is captured for the first time instantaneously over the entire flow field with the ECVT. Other flow behaviour such as the converging flow pattern of the gas bubbles in a tapered‐cylinder shape bubble column is also revealed by the ECVT.
Characterization of the gonioapparent character of colored anodized titanium surfaces
Authors: Charrière Renée , Lacaille Grégoire , Pedeferri Maria Pia , Faucheu Jenny , Delafosse David
Published: September 2014

We investigate the gonioapparent character of colored anodized titanium surfaces. In appropriate experimental conditions, the anodizing process generates a homogeneous oxide layer at the surface of the metal, with a thickness comparable with the visible wavelengths of light. The anodized metallic surfaces thus exhibit interferential colors, which depend on the thickness of the oxide layer and have the particularity to vary according to the illumination and observation directions. They are said to be gonioapparent. This article describes an experimental method to characterize these variations precisely. © 2014 Wiley Periodicals, Inc. Col Res Appl, 40, 483–490, 2015
The SPD approach to deploy service‐based applications in the cloud
Authors: Yangui Sami , Tata Samir
Published: September 2014

Cloud computing is becoming more and more an essential component in the cyberspace system. In this context, Cloud providers offer a multitude of resources and services that constitute a heterogeneous ecosystem and a new economic model. However, several issues remain to be addressed so that the Cloud becomes an efficient part of the cyber‐physical system. In this paper, we propose to address a platform as‐a‐service (PaaS) drawback that we noted as part of our work on service‐based applications deployment in Cloud platforms. To deal with that, we propose a new approach that we called SPD approach to provision appropriate platform resources and ensure hosting and deployment of applications based on Service Component Architecture or business process orchestration (Business Process Execution Language) specifications in Cloud platforms. The SPD approach stands for the three main steps of the process that we have defined, that is, (1) slice the application deployables into a set of elementary services, (2) package them into our already developed service micro‐containers, and then (3) deploy the obtained service micro‐containers in a target PaaS provider. Our approach is a PaaS‐independent approach that allows developers to deploy service‐based applications on any PaaS regardless of its capabilities. To illustrate our approach and to experiment its performances, we provide two realistic use cases scenarios, that is, a Service Component Architecture‐based application and a Business Process Execution Language‐based process deployment in Cloud Foundry PaaS. Copyright © 2014 John Wiley & Sons, Ltd.
New Water‐Stable Ionic Liquids Based on Tetrakis‐(2,2,2‐trifluoroethoxy)borate
Authors: Rupp Alexander B. A. , Klose Petra , Scherer Harald , Krossing Ingo
Published: September 2014

Several new ionic liquids (ILs) were prepared from Na[B(tfe)4] (tfe=OCH2CF3) via metathesis, including one room temperature IL (RTIL). Prior to synthesis, suitable cations were chosen via predictive quantum‐chemical calculations. Nuclear magnetic resonance monitoring over almost a month showed a total stability of the anion in the presence of water. The temperature‐dependent viscosities and melting points of all the new ILs were determined. The data indicate that [B(tfe)4]− ILs may be too viscous for electrochemical applications, but are interesting candidates for lubricant research.
Cooling, Spectroscopy and Non‐Sticking of trans‐Stilbene and Nile Red
Authors: Piskorski Julia , Patterson David , Eibenberger Sandra , Doyle John M.
Published: September 2014

We create and study trans‐Stilbene and Nile Red in a cryogenic (7 K) cell with a low density helium buffer gas. No molecule–helium cluster formation is observed, indicating limited atom–molecule sticking in this system. We place an upper limit of 5 % on the population of clustered He–trans‐Stilbene, consistent with a measured He–molecule collisional residence time of less than 1 μs. With its very low energy torsional modes, trans‐Stilbene is less rigid than any molecule previously buffer‐gas‐cooled into the Kelvin regime. We also report cooling and gas phase visible spectroscopy of Nile Red, a much larger molecule. Our data suggest that buffer gas cooling will be feasible for a variety of small biological molecules.
Supramolecular Formation of Li+@PCBM Fullerene with Sulfonated Porphyrins and Long‐Lived Charge Separation
Authors: Kawashima Yuki , Ohkubo Kei , Okada Hiroshi , Matsuo Yutaka , Fukuzumi Shunichi
Published: September 2014

Lithium‐ion‐encapsulated [6,6]‐phenyl‐C61‐butyric acid methyl ester fullerene (Li+@PCBM) was utilized to construct supramolecules with sulfonated meso‐tetraphenylporphyrins (MTPPS4−; M=Zn, H2) in polar benzonitrile. The association constants were determined to be 1.8×105 M−1 for ZnTPPS4−/Li+@PCBM and 6.2×104 M−1 for H2TPPS4−/Li+@PCBM. From the electrochemical analyses, the energies of the charge‐separated (CS) states were estimated to be 0.69 eV for ZnTPPS4−/Li+@PCBM and 1.00 eV for H2TPPS4−/Li+@PCBM. Upon photoexcitation of the porphyrin moieties of MTPPS4−/Li+@PCBM, photoinduced electron transfer occurred to produce the CS states. The lifetimes of the CS states were 560 μs for ZnTPPS4−/Li+@PCBM and 450 μs for H2TPPS4−/Li+@PCBM. The spin states of the CS states were determined to be triplet by electron paramagnetic resonance spectroscopy measurements at 4 K. The reorganization energies (λ) and electronic coupling term (V) for back electron transfer (BET) were determined from the temperature dependence of kBET to be λ=0.36 eV and V=8.5×10−3 cm−1 for ZnTPPS4−/Li+@PCBM and λ=0.62 eV and V=7.9×10−3 cm−1 for H2TPPS4−/Li+@PCBM based on the Marcus theory of nonadiabatic electron transfer. Such small V values are the result of a small orbital interaction between the MTPPS4− and Li+@PCBM moieties. These small V values and spin‐forbidden charge recombination afford a long‐lived CS state.
A New Iron‐Based Carbon Monoxide Oxidation Catalyst: Structure–Activity Correlation
Authors: Schoch Roland , Huang Heming , Schünemann Volker , Bauer Matthias
Published: September 2014

A new iron‐based catalyst for carbon monoxide oxidation, as a potential substitute for precious‐metal systems, has been prepared by using a facile impregnation method with iron tris‐acetylacetonate as a precursor on γ‐Al2O3. Light‐off and full conversion temperatures as low as 235 and 278 °C can be reached. However, the catalytic activity strongly depends on the loading; lower loadings perform better than higher ones. The different activities can be explained by variations of the structures formed. The structures are thoroughly characterized by a multimethodic approach by using X‐ray diffraction, Brunauer–Emmett–Teller surface areas, and Mössbauer spectroscopy combined with diffuse reflectance UV/Vis and X‐ray absorption spectroscopy. Consequently, isolated tetrahedrally coordinated Fe3+ centers and phases of AlFeO3 are identified as structural requirements for high activity in the oxidation of carbon monoxide.
Reactive Sputtering of Plasmonic Pt/ZnO Films for Decomposition of Gas‐Phase Methanol under Visible Light
Authors: Wu Hongjun , Ma Yue , Wang Yang , Gao Yang , Yuan Dandan , Zhang Zhonghai
Published: September 2014

The preparation of ZnO films by a versatile and effective facing‐target sputtering method under various sputtering pressures is described. The ZnO films are coated with an ultrathin (2 nm) Pt layer through dc diode sputtering to form hybrid Pt/ZnO photocatalytic films. Interestingly, the Pt/ZnO films show an efficient visible‐light photoresponse for the decomposition of gas‐phase methanol owing to the unique surface plasmon resonance of the Pt film.
A hybrid particle swarm optimization and bacterial foraging for power system stability enhancement
Authors: Abd‐Elazim S. M. , Ali E. S.
Published: September 2014

A novel hybrid approach involving particle swarm optimization (PSO) and bacterial foraging optimization algorithm (BFOA) called bacterial swarm optimization (BSO) is illustrated for designing static var compensator (SVC) in a multimachine power system. In BSO, the search directions of tumble behavior for each bacterium are oriented by the individual's best location and the global best location of PSO. The proposed hybrid algorithm has been extensively compared with the original BFOA algorithm and the PSO algorithm. Simulation results have shown the validity of the proposed BSO in tuning SVC compared with BFOA and PSO. Moreover, the results are presented to demonstrate the effectiveness of the proposed controller to improve the power system stability over a wide range of loading conditions. © 2014 Wiley Periodicals, Inc. Complexity 21: 245–255, 2015
Phosphate‐Modified Carbon Nanotubes in the Oxidative Dehydrogenation of Isopentanes
Authors: Huang Rui , Liu Hong Yang , Zhang Bing Sen , Sun Xiao Yan , Liang Chang Hai , Su Dang Sheng , Zong Bao Ning , Rong Jun Feng
Published: September 2014

Ketonic/quinonic CO groups on the surface of a carbon matrix are capable of abstracting hydrogen in CH bonds from hydrocarbons and enable them to selectively convert into corresponding unsaturated hydrocarbons; this process is the oxidative dehydrogenation (ODH) reaction. However, a variety of inevitable defects or graphene edges and other oxygen‐containing groups on the carbon matrix are detrimental to the selective production of alkenes due to their high activity towards overoxidation. Herein, we show that phosphate can not only impede the total oxidation but also cover the selective CO groups, hence allowing its use as a modulator to defects and oxygen‐containing functional groups on the multiwalled carbon nanotubes, regulating the distribution of active sites and related catalytic targets.
Histochemical evaluation of alkaloids in rhizome of Coptis chinensis using laser microdissection and liquid chromatography/mass spectrometry
Authors: Yi Ling , Liang Zhi‐Tao , Peng Yong , Guo Ping , Wong Lai‐Lai , Wan Xiao‐Jing , Ho Hing‐Man , Yi Tao , Zhao Zhong‐Zhen
Published: September 2014

Traditional macroscopic and microscopic identification methods of medicinal materials are economical and practical, but usually experience‐based due to few chemical supports. Here histochemical evaluation on bioactive components of Coptidis Rhizoma (CR) in anatomic sections using laser microdissection and liquid chromatography‐mass spectrometry (LMD‐LC‐MS) was developed to correlate the inner quality and outer features of materials from different growing areas. Results of a total 33 peaks representing potential different alkaloids were detected and 8 common peaks were identified as the major alkaloids, namely magnoflorine, thalifendine, columbamine, epiberberine, jatrorrhizine, coptisine, palmatine, and berberine. Six major alkaloids were quantified in the top and middle sections of raw materials and in their tissues and cells at the same time. Histochemical analyses showed consistent results with direct determination in raw materials and explained the reason why top sections of all samples contained higher contents of alkaloids by giving out attributions of each alkaloid in different anatomic sections. Besides, results manifested the distribution and accumulation rules of alkaloids in diverse tissues and cells of CR. This study demonstrates an effective and scientific way to correlate bioactive components and morphological features of medicinal materials, which is beneficial to future research, agriculture and application. Copyright © 2014 John Wiley & Sons, Ltd.
A novel trapping system for the detection of reactive drug metabolites using the fungus Cunninghamella elegans and high resolution mass spectrometry
Authors: Rydevik Axel , Hansson Annelie , Hellqvist Anna , Bondesson Ulf , Hedeland Mikael
Published: September 2014

A new model is presented that can be used to screen for bioactivation of drugs. The evaluation of toxicity is an important step in the development of new drugs. One way to detect possible toxic metabolites is to use trapping agents such as glutathione. Often human liver microsomes are used as a metabolic model in initial studies. However, there is a need for alternatives that are easy to handle, cheap, and can produce large amounts of metabolites. In the presented study, paracetamol, mefenamic acid, and diclofenac, all known to form reactive metabolites in humans, were incubated with the fungus Cunninghamella elegans and the metabolites formed were characterized with ultra high performance liquid chromatography coupled to a quadrupole time of flight mass spectrometer. Interestingly, glutathione conjugates formed by the fungus were observed for all three drugs and their retention times and MS/MS spectra matched those obtained in a comparative experiment with human liver microsomes. These findings clearly demonstrated that the fungus is a suitable trapping model for toxic biotransformation products. Cysteine conjugates of all three test drugs were also observed with high signal intensities in the fungal incubates, giving the model a further indicator of drug bioactivation. To our knowledge, this is the first demonstration of the use of a fungal model for the formation and trapping of reactive drug metabolites. The investigated model is cheap, easy to handle, it does not involve experimental animals and it can be scaled up to produce large amounts of metabolites. Copyright © 2014 John Wiley & Sons, Ltd.
Reliable molecular identification of nine tropical whitefly species
Authors: Ovalle Tatiana M. , Parsa Soroush , Hernández Maria P. , Becerra Lopez‐Lavalle Luis A.
Published: September 2014

The identification of whitefly species in adult stage is problematic. Morphological differentiation of pupae is one of the better methods for determining identity of species, but it may vary depending on the host plant on which they develop which can lead to misidentifications and erroneous naming of new species. Polymerase chain reaction (PCR) fragment amplified from the mitochondrial cytochrome oxidase I (COI) gene is often used for mitochondrial haplotype identification that can be associated with specific species. Our objective was to compare morphometric traits against DNA barcode sequences to develop and implement a diagnostic molecular kit based on a RFLP‐PCR method using the COI gene for the rapid identification of whiteflies. This study will allow for the rapid diagnosis of the diverse community of whiteflies attacking plants of economic interest in Colombia. It also provides access to the COI sequence that can be used to develop predator conservation techniques by establishing which predators have a trophic linkage with the focal whitefly pest species.
European red squirrel population dynamics driven by squirrelpox at a gray squirrel invasion interface
Authors: Chantrey Julian , Dale Timothy D. , Read Jonathan M. , White Steve , Whitfield Fiona , Jones David , McInnes Colin J. , Begon Michael
Published: September 2014

Infectious disease introduced by non‐native species is increasingly cited as a facilitator of native population declines, but direct evidence may be lacking due to inadequate population and disease prevalence data surrounding an outbreak. Previous indirect evidence and theoretical models support squirrelpox virus (SQPV) as being potentially involved in the decline of red squirrels (Sciurus vulgaris) following the introduction of the non‐native gray squirrel (Sciurus carolinensis) to the United Kingdom. The red squirrel is a majorUKconservation concern and understanding its continuing decline is important for any attempt to mitigate the decline. The red squirrel–gray squirrel system is also exemplary of the interplay between infectious disease (apparent competition) and direct competition in driving the replacement of a native by an invasive species. Time series data from Merseyside are presented on squirrel abundance and squirrelpox disease (SQPx) incidence, to determine the effect of the pathogen and the non‐native species on the native red squirrel populations. Analysis indicates thatSQPx in red squirrels has a significant negative impact on squirrel densities and their population growth rate (PGR). There is little evidence for a direct gray squirrel impact; only gray squirrel presence (but not density) proved to influence red squirrel density, but not red squirrelPGR. The dynamics of redSQPx cases are largely determined by previous redSQPx cases, although previous infection of local gray squirrels also feature, and thus,SQPV‐infected gray squirrels are identified as potentially initiating outbreaks ofSQPx in red squirrels. Retrospective serology indicates that approximately 8% of red squirrels exposed toSQPVmay survive infection during an epidemic. This study further highlights theUKred squirrel – gray squirrel system as a classic example of a native species population decline strongly facilitated by infectious disease introduced by a non‐native species. It is therefore paramount that disease prevention and control measures are integral in attempts to conserve red squirrels in the United Kingdom.
Iron deficiency in a multi‐ethnic Asian population with and without heart failure: prevalence, clinical correlates, functional significance and prognosis
Authors: Yeo Tee Joo , Yeo Poh Shuan Daniel , Ching‐Chiew Wong Raymond , Ong Hean Yee , Leong Kui Toh Gerard , Jaufeerally Fazlur , Sim David , Santhanakrishnan Rajalakshmi , Lim Shir Lynn , M.Y. Chan Michelle , Chai Ping , Low Adrian F. , Ling Lieng H. , Ng Tze Pin , Richards A. Mark , Lam Carolyn S.P.
Published: September 2014

Aims

Current heart failure (HF) guidelines highlight the importance of iron deficiency (ID) in HF. Whether HF itself or age‐related comorbidities contribute to ID is uncertain, and previous data were limited to Western populations. We aimed to study the prevalence, clinical correlates, functional significance and prognosis of ID in HF patients, compared with community‐based controls in a multi‐ethnic Southeast Asian population.

Methods and results

Iron status was assessed in 751 HF patients (age 62.0 ± 12.2 years, 75.5% men, 64.7% Chinese, 23.9% Malay, 10.2% Indian) and 601 controls (age 56.9 ± 10.4 years, 49.8% men, 70.9% Chinese, 21.5% Malay, 7.2% Indian). ID, defined as ferritin <100 µg/L or ferritin 100–300 µg/L and transferrin saturation (Tsat) <20%, was present in 39.3% of controls and 61.4% of HF [odds ratio (OR) 3.5, 95% confidence interval (CI) 2.5–4.9, adjusting for clinical covariates]. Independent correlates of ID in HF were Indian ethnicity (OR 2.4 vs. Chinese, 95% CI 1.2–5.0), female gender (OR 2.8, 95% CI 1.7–4.8), larger body mass index (OR 1.05/unit increase, 95% CI 1.01–1.1) and decreased left ventricular ejection fraction (OR 1.03/unit decrease, 95% CI 1.01–1.04). In a subset of 48 HF patients undergoing cardiopulmonary exercise testing, Tsat correlated with peak oxygen consumption (ρ = 0.53, P < 0.01), independent of baseline characteristics. The HF patients with Tsat <20% as well as anaemia showed the poorest event‐free survival after adjusting for clinical covariates.

Conclusions

ID was highly prevalent and independently related to functional capacity and outcomes in our cohort. These findings suggest a pathophysiological role of ID in HF and support its importance as a therapeutic target in Southeast Asian patients with HF.
Effects of iron oxide nanoparticles: Cytotoxicity, genotoxicity, developmental toxicity, and neurotoxicity
Authors: Valdiglesias Vanessa , Kiliç Gözde , Costa Carla , Fernández‐Bertólez Natalia , Pásaro Eduardo , Teixeira João Paulo , Laffon Blanca
Published: September 2014

Iron oxide nanoparticles (ION) with superparamagnetic properties hold great promise for use in various biomedical applications; specific examples include use as contrast agents for magnetic resonance imaging, in targeted drug delivery, and for induced hyperthermia cancer treatments. Increasing potential applications raise concerns over their potential effects on human health. Nevertheless, very little is currently known about the toxicity associated with exposure to these nanoparticles at different levels of biological organization. This article provides an overview of recent studies evaluating ION cytotoxicity, genotoxicity, developmental toxicity and neurotoxicity. Although the results of these studies are sometimes controversial, they generally indicate that surface coatings and particle size seem to be crucial for the observed ION‐induced effects, as they are critical determinants of cellular responses and intensity of effects, and influence potential mechanisms of toxicity. The studies also suggest that some ION are safe for certain biomedical applications, while other uses need to be considered more carefully. Overall, the available studies provide insufficient evidence to fully assess the potential risks for human health related to ION exposure. Additional research in this area is required including studies on potential long‐term effects. Environ. Mol. Mutagen. 56:125–148, 2015. © 2014 Wiley Periodicals, Inc.
Optimizing chromium (VI) adsorption onto superheated steam activated granular carbon through response surface methodology and artificial neural network
Authors: Halder Gopinath , Dhawane Sumit , Barai Prabir K. , Das Abhijna
Published: September 2014

The adsorptive removal of hexavalent chromium from aqueous medium by superheated steam activated granular carbon (GAC) prepared indigenously from non‐usable coconut shell was investigated by a series of batch sorption experiments. The removal efficiency of the process is optimized using response surface methodology and artificial neural networking. The influence of five different parameters viz. pH, contact time, GAC dose, initial concentration, and temperature on percent removal was observed through the model equations developed by a 25 full factorial central composite rota table design in shake‐flask system to find optimum condition. Maximum chromium removal is observed to be 96.33% at initial concentration 100 mg/L, pH 4, GAC dose 0.8 g/L, contact time 60 min, and temperature 15°C. Second‐order regression model was developed to study analysis of variance showing the relative significance of process parameters in removal process. From the results of this study it is revealed that GAC from waste coconut shell with surface area of 989 m2/g could be a cost effective and efficient adsorbent for the removal of Cr (VI). © 2014 American Institute of Chemical Engineers Environ Prog, 34: 638–647, 2015
Lattice Boltzmann Simulation of Natural Convection in a Differentially Heated Square Enclosure Containing Heat Generating Low‐Prandtl Number Fluid
Authors: Gera B. , Singh R. K.
Published: September 2014

Lattice Boltzmann simulations were conducted for the free convective flow of a low‐Prandtl number (Pr = 0.0321) fluid with internal heat generation in a square enclosure having adiabatic top and bottom walls and isothermal side walls. The problem of free convection with volumetric heat source has represented itself in connection with advanced engineering applications, such as water‐cooled lithium–lead breeder blankets for nuclear fusion reactors and liquid metal sources of spallation neutrons for subcritical fission systems. A single relaxation time (SRT) thermal lattice Boltzmann method (LBM) was employed. While applying SRT, a D2Q9 model was used to simulate the flow field and temperature field. Results have been obtained for various Rayleigh numbers characterizing internal and external heating from 103 to 106. Flow and temperature fields in terms of stream function and isotherms in the enclosure were predicted for these cases. The temperature of the fluid in the enclosure was found higher than the heated wall temperature at high values of internal Rayleigh numbers. The internal heat generation affected the rate of heat transfer significantly as two convection loops are observed in the enclosure. The average Nusselt number at the heated and cold wall was determined for all the cases.
Molecular structure and rotary dynamics of Enterococcus hiraeV1‐ATPase
Authors: Iino Ryota , Minagawa Yoshihiro , Ueno Hiroshi , Hara Mayu , Murata Takeshi
Published: September 2014

V1‐ATPase is a rotary molecular motor in which the mechanical rotation of the rotor DF subunits against the stator A3B3 ring is driven by the chemical free energy of ATP hydrolysis. Recently, using X‐ray crystallography, we solved the high‐resolution molecular structure of Enterococcus hirae V1‐ATPase (EhV1) and revealed how the three catalytic sites in the stator A3B3 ring change their structure on nucleotide binding and interaction with the rotor DF subunits. Furthermore, recently, we also demonstrated directly the rotary catalysis of EhV1 by using single‐molecule high‐speed imaging and analyzed the properties of the rotary motion in detail. In this critical review, we introduce the molecular structure and rotary dynamics of EhV1 and discuss a possible model of its chemomechanical coupling scheme. © 2014 IUBMB Life, 66(9):624–630, 2014
Bone Fracture Toughness and Strength Correlate With Collagen Cross-Link Maturity in a Dose-Controlled Lathyrism Mouse Model
Authors: McNerny Erin MB , Gong Bo , Morris Michael D , Kohn David H
Published: September 2014

Collagen cross-linking is altered in many diseases of bone, and enzymatic collagen cross-links are important to bone quality, as evidenced by losses of strength after lysyl oxidase inhibition (lathyrism). We hypothesized that cross-links also contribute directly to bone fracture toughness. A mouse model of lathyrism using subcutaneous injection of up to 500 mg/kg β-aminopropionitrile (BAPN) was developed and characterized (60 animals across 4 dosage groups). Three weeks of 150 or 350 mg/kg BAPN treatment in young, growing mice significantly reduced cortical bone fracture toughness, strength, and pyridinoline cross-link content. Ratios reflecting relative cross-link maturity were positive regressors of fracture toughness (HP/[DHLNL + HLNL] r2 = 0.208, p < 0.05; [HP + LP]/[DHNL + HLNL] r2 = 0.196, p < 0.1), whereas quantities of mature pyridinoline cross-links were significant positive regressors of tissue strength (lysyl pyridinoline r2 = 0.159, p = 0.014; hydroxylysyl pyridinoline r2 = 0.112, p < 0.05). Immature and pyrrole cross-links, which were not significantly reduced by BAPN, did not correlate with mechanical properties. The effect of BAPN treatment on mechanical properties was dose specific, with the greatest impact found at the intermediate (350 mg/kg) dose. Calcein labeling was used to define locations of new bone formation, allowing for the identification of regions of normally cross-linked (preexisting) and BAPN-treated (newly formed, cross-link-deficient) bone. Raman spectroscopy revealed spatial differences attributable to relative tissue age and effects of cross-link inhibition. Newly deposited tissues had lower mineral/matrix, carbonate/phosphate, and Amide I cross-link (matrix maturity) ratios compared with preexisting tissues. BAPN treatment did not affect mineral measures but significantly increased the cross-link (matrix maturity) ratio compared with newly formed control tissue. Our study reveals that spatially localized effects of short-term BAPN cross-link inhibition can alter the whole-bone collagen cross-link profile to a measureable degree, and this cross-link profile correlates with bone fracture toughness and strength. Thus, cross-link profile perturbations associated with bone disease may provide insight into bone mechanical quality and fracture risk. © 2014 American Society for Bone and Mineral Research.
Longitudinal HR-pQCT and Image Registration Detects Endocortical Bone Loss in Kidney Transplantation Patients
Authors: Nishiyama Kyle K , Pauchard Yves , Nikkel Lucas E , Iyer Sapna , Zhang Chiyuan , McMahon Donald J , Cohen David , Boyd Steven K , Shane Elizabeth , Nickolas Thomas L
Published: September 2014

Patients with chronic kidney disease (CKD) who undergo kidney transplantation experience bone loss and increased risk of fracture. However, the mechanisms of this bone loss are unclear. Our objective was to use image registration to define the cortex to assess changes in cortical porosity (Ct.Po) in patients undergoing first-time kidney transplantation. We obtained serial measurements of parathyroid hormone (PTH) and bone turnover markers and used high-resolution peripheral quantitative computed tomography (HR-pQCT) to scan the distal radius and tibia in 31 patients (21 men, 10 women; aged 51.9 ± 13.4 years) at transplant and after 1 year. Baseline and 1-year images were aligned using a fully automated, intensity-based image registration framework. We compared three methods to define the cortical region of interest (ROI) and quantify the changes: 1) cortical bone was independently defined in baseline and follow-up scans; 2) cortical bone was defined as the common cortical ROI; and 3) the cortical ROI at baseline was carried forward to 1-year follow-up (baseline-indexed). By the independently defined ROI, Ct.Po increased 11.7% at the radius and 9.1% at the tibia, whereas by the common ROI, Ct.Po increased 14.6% at the radius and 9.1% at the tibia. By the baseline-indexed ROI, which provides insight into changes at the endocortical region, Ct.Po increased 63.4% at the radius and 17.6% at the tibia. We found significant relationships between changes in Ct.Po and bone formation and resorption markers at the radius. The strongest associations were found between markers and Ct.Po using the baseline-index method. We conclude that Ct.Po increases throughout the cortex after kidney transplant, and this increase is particularly marked at the endocortical surface. These methods may prove useful for all HR-pQCT longitudinal studies, particularly when changes are expected at the endocortical region. © 2014 American Society for Bone and Mineral Research.