bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrochemical Degradation of Multiwall Carbon Nanotubes at High Anodic Potential for Oxygen Evolution in Acidic Media
Authors: Yi Youngmi , Tornow Julian , Willinger Elena , Willinger Marc G. , Ranjan Chinmoy , Schlögl Robert
Published: August 2015

There is great interest in electrochemical water splitting for the efficient utilization of sustainable energy. As an alternative to high‐priced materials, carbon offers considerable potential. However, carbon is limited as an electrode material for the oxygen evolution reaction (OER), owing to its thermodynamic instability against electrochemical oxidation. In this study, we investigated the electrochemical degradation of multiwall carbon nanotubes (MWCNTs) under the acidic OER environment. Electrochemical oxidation of MWCNTs induces structural changes and the formation of oxygen‐containing functional groups on the carbon surface. As a consequence, the electrochemical and physicochemical properties of the MWCNTs are changed during electrochemical oxidation. We carried out electrochemical, microstructural, and spectroscopic analysis to investigate the degradation of MWCNTs. By changing of the electrochemical properties of MWCNTs during the oxidation process, the carbon electrode is initially activated and can then be kinetically stabilized with prolonged oxidation under the OER conditions.
Molecular Mixed‐Metal Manganese Oxido Cubanes as Precursors to Heterogeneous Oxygen Evolution Catalysts
Authors: Suseno Sandy , McCrory Charles C. L. , Tran Rosalie , Gul Sheraz , Yano Junko , Agapie Theodor
Published: August 2015

Well‐defined mixed‐metal [CoMn3O4] and [NiMn3O4] cubane complexes were synthesized and used as precursors for heterogeneous oxygen evolution reaction (OER) electrocatalysts. The discrete clusters were dropcasted onto glassy carbon (GC) and indium tin oxide (ITO) electrodes, and the OER activities of the resulting films were evaluated. The catalytic surfaces were analyzed by various techniques to gain insight into the structure‐function relationships of the electrocatalysts’ heterometallic composition. Depending on preparation conditions, the Co‐Mn oxide was found to change metal composition during catalysis, while the Ni–Mn oxides maintained the NiMn3 ratio. XAS studies provided structural insights indicating that the electrocatalysts are different from the molecular precursors, but that the original NiMn3O4 cubane‐like geometry was maintained in the absence of thermal treatment (2‐Ni). In contrast, the thermally generated 3‐Ni develops an oxide‐like extended structure. Both 2‐Ni and 3‐Ni undergo structural changes upon electrolysis, but they do not convert into the same material. The observed structural motifs in these heterogeneous electrocatalysts are reminiscent of the biological oxygen‐evolving complex in Photosystem II, including the MMn3O4 cubane moiety. The reported studies demonstrate the use of discrete heterometallic oxide clusters as precursors for heterogeneous water oxidation catalysts of novel composition and the distinct behavior of two sets of mixed metal oxides.
Efficient Syntheses of Novel Fluoro‐Substituted Pentacenes and Azapentacenes: Molecular and Solid‐State Properties
Authors: Schwaben Jonas , Münster Niels , Klues Michael , Breuer Tobias , Hofmann Philipp , Harms Klaus , Witte Gregor , Koert Ulrich
Published: August 2015

Non‐symmetrical 6,13‐disubstituted pentacenes bearing trifluoromethyl and aryl substituents have been synthesized starting from pentacenequinone. Diazapentacenes with a variety of fluorine substituents were prepared either via a Hartwig–Buchwald aryl amination route or by a SNAr strategy. As a result of a non‐symmetric substitution pattern containing electron‐donating substituents in combination with electron‐accepting fluorine substituents, the synthesized compounds feature distinct molecular dipoles. All compounds are analyzed regarding their optoelectronic properties in solution with special focus on the frontier orbital energies as well as their molecular packing in the crystal structures. The analyses of isolated molecules are complemented by thin‐film studies to examine their solid‐state properties. A precise comparison between these and the molecular properties gave detailed insights into the exciton binding energies of these compounds, which are explained by means of a simple model considering the molecular packing and polarizabilities.
Synthesis of Bifunctional Azobenzene Glycoconjugates for Cysteine‐Based Photosensitive Cross‐Linking with Bioactive Peptides
Authors: Müller Anne , Kobarg Hauke , Chandrasekaran Vijayanand , Gronow Joana , Sönnichsen Frank D. , Lindhorst Thisbe K.
Published: August 2015

Azobenzene linker molecules can be utilized to control peptide/protein function when they are ligated to appropriately spaced amino acid side chains of the peptide. This is because the photochemical E/Z isomerization of the azobenzene NN double bond allows to switch peptide conformation between folded and unfolded. In this context, we have introduced carbohydrate‐functionalized azobenzene derivatives in order to advance the biocompatible properties of azobenzene peptide linkers. Chloroacetamide‐functionalized and O‐allylated carbohydrate derivatives were synthesized and conjugated with azobenzene to achieve new bifunctional cross‐linkers, in order to allow ligation to cysteine side chains by nucleophilic substitution or thiol‐ene reaction, respectively. The photochromic properties of the new linker glycoconjugates were determined and first ligation reactions performed.
Formal Gold‐to‐Gold Transmetalation of an Alkynyl Group Mediated by Palladium: A Bisalkynyl Gold Complex as a Ligand to Palladium
Authors: Toledo Alberto , Meana Isabel , Albéniz Ana C.
Published: August 2015

The reaction of [Au(CCn‐Bu)]n with [Pd(η3‐allyl)Cl(PPh3)] results in a ligand and alkynyl rearrangement, and leads to the heterometallic complex [Pd(η3‐allyl){Au(CCn‐Bu)2}]2 (3) with an unprecedented bridging bisalkynyl–gold ligand coordinated to palladium. This is a formal gold‐to‐gold transmetalation that occurs through reversible alkynyl transmetalations between gold and palladium.
Total Synthesis of Antitumor Antibiotic Derhodinosylurdamycin A
Authors: Khatri Hem Raj , Nguyen Hai , Dunaway James K. , Zhu Jianglong
Published: August 2015

The first total synthesis of derhodinosylurdamycin A, an angucycline antitumor antibiotic, has been described. The synthesis features a Hauser annulation followed by pinacol coupling to construct the tetracyclic angular aglycon, a Stille coupling of glycal stannane and tetracyclic aryliodide followed by stereoselective reduction to afford the 2‐deoxy β‐C‐arylglycoside, and a late‐stage stereoselective glycosylation for the preparation of derhodinosylurdamycin A. This synthetic strategy should be amenable to the chemical synthesis of analogs of derhodinosylurdamycin A bearing diverse 2‐deoxy sugar subunits for structure and activity relationship studies.
One‐Electron Oxidation of a Disilicon(0) Compound: An Experimental and Theoretical Study of [Si2]+ Trapped by N‐Heterocyclic Carbenes
Authors: Arz Marius I. , Straßmann Martin , Meyer Andreas , Schnakenburg Gregor , Schiemann Olav , Filippou Alexander C.
Published: August 2015

One‐electron oxidation of the disilicon(0) compound Si2(Idipp)2 (1, Idipp=1,3‐bis(2,6‐diisopropylphenyl)imidazolin‐2‐ylidene) with [Fe(C5Me5)2][B(ArF)4] (ArF=C6H3‐3,5‐(CF3)2) affords selectively the green radical salt [Si2(Idipp)2][B(ArF)4] (1‐[B(ArF)4). Oxidation of the centrosymmetric 1 occurs reversibly at a low redox potential (E1/2=−1.250 V vs. Fc+/Fc), and is accompanied by considerable structural changes as shown by single‐crystal X‐ray structural analysis of 1‐B(ArF)4. These include a shortening of the SiSi bond, a widening of the Si‐Si‐CNHC angles, and a lowering of the symmetry, leading to a quite different conformation of the NHC substituents at the two inequivalent Si sites in 1+. Comparative quantum chemical calculations of 1 and 1+ indicate that electron ejection occurs from the symmetric (n+) combination of the Si lone pairs (HOMO). EPR studies of 1‐B(ArF)4 in frozen solution verified the inequivalency of the two Si sites observed in the solid‐state, and point in agreement with the theoretical results to an almost equal distribution of the spin density over the two Si atoms, leading to quite similar 29Si hyperfine coupling tensors in 1+. EPR studies of 1‐B(ArF)4 in liquid solution unraveled a topomerization with a low activation barrier that interconverts the two Si sites in 1+.
A Straightforward Approach to Tetrahydroindolo[3,2‐b]carbazoles and 1‐Indolyltetrahydrocarbazoles through [3+3] Cyclodimerization of Indole‐Derived Cyclopropanes
Authors: Ivanova Olga A. , Budynina Ekaterina M. , Khrustalev Victor N. , Skvortsov Dmitriy A. , Trushkov Igor V. , Melnikov Mikhail Ya.
Published: August 2015

A rapid new approach to produce biologically relevant bisindoles, namely indolyltetrahydrocarbazoles and indolo[3,2‐b]carbazoles, has been developed, based on the Ga(OTf)3‐catalyzed [3+3] cyclodimerization of indole‐derived donor–acceptor cyclopropanes. Chemoselectivity of the process depends on the location of the three‐membered ring at the indole core.
ChemInform Abstract: The Crystal Structure of Symplesite.
Authors: Runcevski Tomce , Makreski Petre , Dinnebier Robert E. , Jovanovski Gligor
Published: August 2015

The crystal structure of natural symplesite, Fe3(AsO4)2·8H2O is determined by high‐resolution powder XRD.
ChemInform Abstract: Synthesis and Characterization of P2N3‐: An Aromatic Ion Composed of Phosphorus and Nitrogen.
Authors: Velian Alexander , Cummins Christopher C.
Published: August 2015

Compound (III) is characterized by single crystal XRD, IR, Raman, and NMR spectroscopy, mass spectrometry, and DFT calculations.
ChemInform Abstract: Copper‐Catalyzed Selective Arylations of Benzoxazoles with Aryl Iodides.
Authors: Kim Donghae , Yoo Kwangho , Kim Se Eun , Cho Hee Jin , Lee Junseong , Kim Youngjo , Kim Min
Published: August 2015

Depending on temperature only, either double‐N‐arylated o‐hydroxyanilines (III) or 2‐arylated benzoxazoles (IV) are accessible.
ChemInform Abstract: Rhodium‐Catalyzed Asymmetric Arylation of Allyl Sulfones under the Conditions of Isomerization into Alkenyl Sulfones.
Authors: Lim Kelvin Meng‐Hui , Hayashi Tamio
Published: August 2015

A novel Rh‐catalyzed arylation of cyclic and noncyclic allylic sulfones with arylboronic acids is examined.
ChemInform Abstract: Development of a New Family of Chiral Auxiliaries.
Authors: Gelat Fabien , Richard Vincent , Berger Olivier , Montchamp Jean‐Luc
Published: August 2015

The utility of newly prepared tetralinol (I) as chiral auxiliary is demonstrated by a highly diastereoselective Grignard addition to the corresponding pyruvic acid ester.
ChemInform Abstract: Synthesis of Planar Chiral [2.2]Paracyclophane‐Based Bisoxazoline Ligands Bearing No Central Chirality and Application to Cu‐Catalyzed Asymmetric O—H Insertion Reaction.
Authors: Kitagaki Shinji , Sugisaka Kenta , Mukai Chisato
Published: August 2015

C2‐symmetric planar chiral [2.2]paracyclophane‐based bisoxazoline ligands bearing an inserted benzene spacer with sterically demanding substituent are synthesized and successfully applied in the Cu‐catalyzed OH‐insertion reaction of α‐diazo esters.
ChemInform Abstract: Tandem Gold‐Catalyzed Dehydrative Cyclization/Diels—Alder Reactions: Facile Access to Indolocarbazole Alkaloids.
Authors: Borrero Nicholas V. , DeRatt Lindsey G. , Ferreira Barbosa Lais , Abboud Khalil A. , Aponick Aaron
Published: August 2015

A gold‐catalyzed synthesis of cyclic 2‐oxodienes from readily prepared propargyl alcohols and the subsequent Diels—Alder reaction are reported.
ChemInform Abstract: Rhodium‐Catalyzed [(3 + 2) + 2] Carbocyclization of Alkynylidenecyclopropanes with Substituted Allenes: Stereoselective Construction of Tri‐ and Tetrasubstituted Exocyclic Olefins.
Authors: Evans P. Andrew , Negru Daniela E. , Shang Deju
Published: August 2015

A Rh‐catalyzed intermolecular carbocyclization of carbon‐ and heteroatom‐tethered alkynylidenecyclopropanes with functionalized allenes is developed to yield bicycloheptatriene derivatives having an exocyclic double bond.
ChemInform Abstract: Novel Carbocationic Rearrangements of 1‐Styrylpropargyl Alcohols.
Authors: Basmadjian Christine , Zhang Fan , Desaubry Laurent
Published: August 2015

Dehydration and subsequent cyclization reactions of 1‐styrylpropargyl alcohols are investigated.
ChemInform Abstract: Ruthenium‐Catalyzed ortho‐C—H Mono‐ and Di‐Imidation of Arenes with N‐Tosyloxyphthalimide.
Authors: Yadav M. Ramu , Shankar Majji , Ramesh E. , Ghosh Koushik , Sahoo Akhila K.
Published: August 2015

An effective imidation of aromatic acid derivatives is achieved by utilizing the methylphenylsulfoximino moiety as a readily removable directing group.
ChemInform Abstract: Iridium‐Catalyzed Chemoselective Reductive Nucleophilic Addition to N‐Methoxyamides.
Authors: Nakajima Minami , Sato Takaaki , Chida Noritaka
Published: August 2015

The reaction tolerates a broad range of substituents on the N‐methoxyamides.
ChemInform Abstract: Chemo‐, Regio‐, and Stereoselective Heck—Matsuda Arylation of Allylic Alcohols under Mild Conditions.
Authors: Chaudhari Tohasib Yusub , Hossian Asik , Manna Manash Kumar , Jana Ranjan
Published: August 2015

A mild protocol for the selective β‐ and α‐arylation of allylic and cinnamyl alcohols using aryldiazonium salts is reported.
ChemInform Abstract: Rh‐Catalyzed Decarbonylation of Conjugated Ynones via Carbon—Alkyne Bond Activation: Reaction Scope and Mechanistic Exploration via DFT Calculations.
Authors: Dermenci Alpay , Whittaker Rachel E. , Gao Yang , Cruz Faben A. , Yu Zhi‐Xiang , Dong Guangbin
Published: August 2015

Acyl groups with sterically hindered aryl residues (e.g. o‐tolyl, mesityl or 1‐naphthyl) as well as alkenyl or alkyl residues do not react.
ChemInform Abstract: Peroxide Promoted Tunable Decarboxylative Alkylation of Cinnamic Acids to Form Alkenes or Ketones under Metal‐Free Conditions.
Authors: Ji Jing , Liu Ping , Sun Peipei
Published: August 2015

The decarboxylative alkylation of cinnamic acids (I) with alkanes (II) leads either to ketones (III) or alkenes (IV) depending on the reaction conditions.
ChemInform Abstract: Component‐Selective and Stereocontrolled One‐Step Three‐Component Reaction Among Aldehydes, Amines, and Allenyl Boronic Acids or Allenyl Pinacolboronates.
Authors: Liepouri Fotini , Bernasconi Giovanni , Petasis Nicos A.
Published: August 2015

Different α‐hydroxy aldehydes including glyoxylic acid, 2‐hydroxyacetaldehyde, chiral 2,3‐dihydroxypropanal, and a carbohydrate derivative are converted according to the title reaction.
ChemInform Abstract: Radical‐Mediated Dehydrative Preparation of Cyclic Imides Using (NH4)2S2O8—DMSO: Application to the Synthesis of Vernakalant.
Authors: Garad Dnyaneshwar N , Tanpure Subhash D. , Mhaske Santosh B
Published: August 2015

(NH4)2S2O8—DMSO is found to be an efficient dehydrating reagent for the convenient one‐pot synthesis of various cyclic imides starting from readily available primary amines and cyclic anhydrides.
ChemInform Abstract: Catalytic Enantioselective Allenoate—Alkene [2 + 2] Cycloadditions.
Authors: Conner Michael L. , Xu Yao , Brown M. Kevin
Published: August 2015

A new and highly enantioselective method for catalytic [2 + 2] cycloadditions between unactivated alkenes and allenoates is disclosed.
ChemInform Abstract: Efficient Access to Functionalized Cyclobutanone Derivatives Using Cyclobuteniminium Salts as Highly Reactive Michael Acceptors.
Authors: Lumbroso Alexandre , Catak Saron , Sulzer‐Mosse Sarah , De Mesmaeker Alain
Published: August 2015

Michael addition of cyclobuteniminium salts with a wide variety of O‐, N‐, S‐, Se‐, and C‐nucleophiles followed by hydrolysis provides functionalized cyclobutanone derivatives.
ChemInform Abstract: Organophosphate‐Accelerated Copper‐Catalyzed C(sp2)—C(sp) Sonogashira‐Type Cross Couplings.
Authors: Xu Wei , Yu Bo , Sun Huaming , Zhang Guofang , Zhang Weiqiang , Gao Ziwei
Published: August 2015

A dramatic acceleration in copper‐catalyzed Sonogashira‐type reactions is observed using an organophosphate additive.
ChemInform Abstract: Sequential O—H/C—H Bond Insertion of Phenols Initiated by the Gold(I)‐Catalyzed Cyclization of 1‐Bromo‐1,5‐enynes.
Authors: Speck Klaus , Karaghiosoff Konstantin , Magauer Thomas
Published: August 2015

The unprecedented domino transformation occurs in the presence of a gold catalyst under mild conditions via an aryl alkyl ether intermediate which decomposes at ambient temperature to undergo a 1,2‐hydride shift followed by C—H insertion of the phenol.
ChemInform Abstract: Highly Enantioselective Transfer Hydrogenation of Ketones with Chiral (NH)2P2 Macrocyclic Iron(II) Complexes.
Authors: Bigler Raphael , Huber Raffael , Mezzetti Antonio
Published: August 2015

Several iron complexes are presented with the pictured compound FEC being one of the most promising catalysts for the title reaction.
ChemInform Abstract: Highly Enantioselective Hydrogenation of o‐Alkoxy Tetrasubstituted Enamides Catalyzed by a Rh/(R,S)‐JosiPhos Catalyst.
Authors: Meng Jingjing , Gao Min , Lv Hui , Zhang Xumu
Published: August 2015

An efficient enantioselective synthesis of β‐amino alcohols is achieved by rhodium‐catalyzed asymmetric hydrogenation of enamides.
ChemInform Abstract: Asymmetric 1,2‐Perfluoroalkyl Migration: Easy Access to Enantioenriched α‐Hydroxy‐α‐perfluoroalkyl Esters.
Authors: Wang Pan , Feng Liang‐Wen , Wang Lijia , Li Jun‐Fang , Liao Saihu , Tang Yong
Published: August 2015

This novel, highly efficient migration process yields enantioenriched α‐hydroxy‐α‐perfluoroalkyl esters from fluoro‐1,2‐diketone hydrates and (‐)‐8‐phenylmenthol as a chiral auxiliary in high yields and with excellent diastereoselectivity under mild reaction conditions.The chiral auxiliary can be easily recovered via ester hydrolysis and reused.
ChemInform Abstract: A Green Electrochemical Method for the Synthesis of New N,N′‐Diphenylbenzene‐1,4‐diamine Derivatives.
Authors: Nematollahi Davood , Mahdinia Saeideh , Karimi Peiman , Salehzadeh Hamid , Kaihani Sajad
Published: August 2015

The electrochemical functionalization of N,N′‐diphenylbenzene‐1,4‐diamine with mercaptohetaromatics as electrophiles under the formation of thioethers is described.
ChemInform Abstract: Synthesis of Disubstituted Dithioethers: tert‐Butoxide Promoted Elimination/Ring Opening of 1,3‐Dithianes Followed by Palladium‐Catalyzed C—S Bond Formation.
Authors: Abidi Nissa , Schmink Jason R.
Published: August 2015

The reaction gives S‐styryl/S‐aryl dithioethers in high yields with excellent E selectivity.
ChemInform Abstract: Immobilization and Continuous Recycling of Photoredox Catalysts in Ionic Liquids for Applications in Batch Reactions and Flow Systems: Catalytic Alkene Isomerization by Using Visible Light.
Authors: Fabry David C. , Ronge Meria A. , Rueping Magnus
Published: August 2015

Optimized conditions A) render possible the conversion of various (E) stilbenes and some analogues to the corresponding (Z)‐isomers.
ChemInform Abstract: Pd‐Catalyzed Enantioselective Intramolecular α‐Arylation of α‐Substituted Cyclic Ketones: Facile Synthesis of Functionalized Chiral Spirobicycles.
Authors: Fan Lulu , Takizawa Shinobu , Takeuchi Yoshiki , Takenaka Kazuhiro , Sasai Hiroaki
Published: August 2015

Various chiral spirocyclic ketones are enantioselectively obtained via Pd‐catalyzed intramolecular α‐arylation reactions of cyclic ketones.
ChemInform Abstract: One‐Pot Synthesis of 2,3‐Substituted Benzo[b]thiophenes via Cu(I) Catalyzed Intramolecular Cyclization from Dithioesters.
Authors: Sandhya Nagarakere. C. , Nandeesh Kebbahalli. N. , Rangappa Kanchugarakoppal. S. , Ananda Sannaiah.
Published: August 2015

The reaction is proposed to proceed via initial reaction of the activated methylene group with the dithioester to give an intermediary thioketone which undergoes intramolecular Cu‐catalyzed cyclization to yield the title compounds.
ChemInform Abstract: Reductive Cyclization and Petasis‐Like Reaction for the Synthesis of Functionalized γ‐Lactams.
Authors: Wu Peng , Petersen Michael Aaxman , Cohrt A. Emil , Petersen Rico , Clausen Mads H. , Nielsen Thomas E.
Published: August 2015

N‐substituted β,γ‐dihydroxy‐γ‐lactams are convenient substrates for Petasis‐like reactions with boronic acids.
ChemInform Abstract: Synthesis of 2‐Nitro‐3‐(pyrrol‐1‐yl)‐5,10,15,20‐tetraarylporphyrins via a Clauson‐Kaas Reaction and the Study of Their Electronic Properties.
Authors: Tiwari Raju , Nath Mahendra
Published: August 2015

A facile synthetic methodology for the construction of novel porphyrin building blocks is developed.
ChemInform Abstract: Organocatalytic Asymmetric Michael Addition of 3‐Substituted Oxindoles to α,β‐Unsaturated Acyl Phosphonates for the Synthesis of 3,3′‐Disubstituted Oxindoles with Chiral Squaramides.
Authors: Chen Lin , You Yong , Zhang Ming‐Liang , Zhao Jian‐qiang , Zuo Jian , Zhang Xiao‐Mei , Yuan Wei‐Cheng , Xu Xiao‐Ying
Published: August 2015

A broad range of complex 3,3′‐disubstituted oxindoles bearing two stereogenic centers are obtained in high yields and with high to excellent diastereo‐ and enantioselectivities.
ChemInform Abstract: An Efficient Approach to 1,2,3‐Trisubstituted Indole via Rhodium Catalyzed Carbene C(sp3)—H Bond Insertion.
Authors: Shen Mei‐Hua , Pan Ying‐Peng , Jia Zhi‐Hong , Ren Xin‐Tao , Zhang Ping , Xu Hua‐Dong
Published: August 2015

The method allows the preparation of various highly functionalized indolyl aldehydes.
ChemInform Abstract: A New and Convenient Synthetic Way to 2‐Substituted Thieno[2,3‐b]indoles.
Authors: Irgashev Roman A , Karmatsky Arseny A , Rusinov Gennady L , Charushin Valery N
Published: August 2015

The title indoles are obtained by a short two‐step procedure including the “aldol‐crotonic” type condensation of easily available 1‐alkylisatins and acetylated (hetero)arenes, followed by treatment of the 3‐alkylated isatins with Lawesson reagent.
ChemInform Abstract: Synthesis of Optically Active Polycyclic N‐Heterocycles Derived from l‐Prolinamine.
Authors: Wroblewska Aneta , Mloston Grzegorz , Heimgartner Heinz
Published: August 2015

The treatment of N‐oxides (V) with Ac2O leads to tricyclic products (VI), whilst the sulfur‐transfer reaction is used for the preparation of imidazole‐2‐thione by treatment of N‐oxide (Va) with 2,2,4,4‐tetramethylcyclobutane‐1,3‐dithione.
ChemInform Abstract: Direct Catalytic Enantio‐ and Diastereoselective Ketone Aldol Reactions of Isocyanoacetates.
Authors: de la Campa Raquel , Ortin Irene , Dixon Darren J.
Published: August 2015

A diastereo‐ and enantioselective aldol/cyclization reaction of isocyanate esters with unactivated ketones to yield functionalized oxazolines is developed.
ChemInform Abstract: Catalytic Asymmetric Hydrogenation of Quinoline Carbocycles: Unusual Chemoselectivity in the Hydrogenation of Quinolines.
Authors: Kuwano Ryoichi , Ikeda Ryuhei , Hirasada Kazuki
Published: August 2015

The Ru‐catalyzed hydrogenation of 8‐substituted quinolines leads to chiral 5,6,7,8‐tetrahydroquinolines as main or sole products.
ChemInform Abstract: A Novel and Efficient Synthesis of Diamino Derivatives of Pyrano[3,4‐c]pyridines.
Authors: Paronikyan Ervand G. , Dashyan Shushanik Sh. , Noravyan Azat S. , Tamazyan Rafael A. , Ayvazyan Armen G. , Panosyan Henrik A.
Published: August 2015

The reaction of pyridinium salts (V) with excess of amines (VI) proceeds with a recyclization leading to the title compounds (VII).
ChemInform Abstract: Access to New Endoperoxide Derivatives by Electrochemical Oxidation of Substituted 3‐Azabicyclo[4.1.0]hept‐4‐enes.
Authors: Nuter Frederick , Dime Abdou Khadre Djily , Chen Cheng , Bounaadja Lotfi , Mouray Elisabeth , Florent Isabelle , Six Yvan , Buriez Olivier , Marinetti Angela , Voituriez Arnaud
Published: August 2015

Cycloisomerization of substrates (I) or (V) in the presence of either a gold or a platinum catalyst leads to formation of fused pyridines such as (II) or (VI).
ChemInform Abstract: An I2‐Catalyzed Oxidative Cyclization for the Synthesis of Indolizines from Aromatic/Aliphatic Olefins and α‐Picoline Derivatives.
Authors: Xiang Likui , Zhang Fuming , Chen Baohua , Pang Xiaobo , Yang Xiaodong , Huang Guosheng , Yan Rulong
Published: August 2015

The reaction tolerates a broad range of olefins endowed with an aromatic or hetaromatic substituent providing the indolizine products in moderate to high yields.
ChemInform Abstract: Synthesis of 1,2‐Dihydro‐1‐oxophthalazin‐4‐yl Trifluoromethanesulfonate and Its Application in the Synthesis of 4‐(Aryl/heteroaryl/alkynyl)phthalazin‐1(2H)‐one
Authors: Dhage Ganesh Raosaheb , Deshmukh Santosh Rangnath , Thopate Shankar Ramchandra
Published: August 2015

via Suzuki and Sonogashira coupling reactions
ChemInform Abstract: Preparation of Iron‐Containing Schiff Base and Ionic Liquid Based Bifunctional Periodic Mesoporous Organosilica and Its Application in the Synthesis of 3,4‐Dihydropyrimidinones
Authors: Elhamifar Dawood , Nazari Elham
Published: August 2015

via Biginelli reaction
ChemInform Abstract: Enantioselective 1,1‐Arylborylation of Alkenes: Merging Chiral Anion Phase Transfer with Pd Catalysis.
Authors: Nelson Hosea M. , Williams Brett D. , Miro Javier , Toste F. Dean
Published: August 2015

A Pd‐catalyzed three‐component reaction of aryldiazonium tetrafluoroborates with a variety of mono‐substituted alkenes and (Bpin)2 is reported which allows the direct preparation of functionalized benzylic boronates.
ChemInform Abstract: Iridium‐Catalyzed ortho‐Selective C—H Silylation of Aromatic Compounds Directed Toward the Synthesis of π‐Conjugated Molecules with Lewis Acid—Base Interaction.
Authors: Wakaki Takayuki , Kanai Motomu , Kuninobu Yoichiro
Published: August 2015

The reaction exhibits a wide substrate scope, and a variety of π‐conjugated molecules is synthesized in high yields, even in gram scale.
ChemInform Abstract: Design, Synthesis, in vitro Antimicrobial and Cytotoxic Evaluation of Novel 1,2,3‐Selena/Thiadiazolyltetrazole Derivatives.
Authors: Kanakaraju S. , Suresh L.
Published: August 2015

Compounds (IIb,c) exhibit interesting antimalarial activity whereas compounds (IIIa,b) show appreciable cytotoxicity.
ChemInform Abstract: Cu(ClO4)2·6H2O Catalyzed Solvent Free Per‐O‐Acetylation and Sequential One‐Pot Conversions of Sugars to Thioglycosides.
Authors: Chatterjee Debnath , Paul Abhijit , Rajkarnal Rajkarnal , Yadav Somnath
Published: August 2015

Peracetates of reducing and non‐reducing carbohydrates are prepared.
ChemInform Abstract: A Prenylated Acridone Alkaloid and Ferulate Xanthone from Barks of Citrus medica (Rutaceae).
Authors: Fomani Marie , Happi Emmanuel Ngeufa , Kouam Kouam , Francois‐Huges Poree , Lallemand Marie‐Christine , Kamdem Waffo Alain Francois , Wansi Jean Duplex
Published: August 2015

A new prenylated acridone alkaloid medicacridone (I) and a new ferulate xanthone, medicaxanthone (II) are isolated along with 11 known compounds from the methanol extract of the bark of Citrus medica. Some of the compounds show weak cytotoxic activity against the human Caucasian prostate adenocarcinoma cell line PC‐3.
ChemInform Abstract: Sweriyunnanlactone A, One Unusual Secoiridoid Trimer from Swertia yunnanensis.
Authors: Geng Chang‐An , Chen Xing‐Long , Huang Xiao‐Yan , Ma Yun‐Bao , He Kang , Zhou Ning‐Jia , Cao Tuan‐Wu , Zhang Xue‐Mei , Chen Ji‐Jun
Published: August 2015

The compound exhibits inhibition on HBV DNA replication on HepG 2.2.15 cell line (IC50=60.76 μM).
ChemInform Abstract: Biomimetic Total Synthesis of Santalin Y.
Authors: Strych Sebastian , Journot Guillaume , Pemberton Ryan P. , Wang Selina C. , Tantillo Dean J. , Trauner Dirk
Published: August 2015

The focus is on the final synthetic step, the reaction between the key intermediates (I) and (II) yielding santalin Y (III).
ChemInform Abstract: Unusual Concentration Induced Antithermal Quenching of the Bi2+ Emission from Sr2P2O7:Bi2+.
Authors: Li Liyi , Peng Mingying , Viana Bruno , Wang Jing , Lei Bingfu , Liu Yingliang , Zhang Qinyuan , Qiu Jianrong
Published: August 2015

Unusual concentration induced antithermal quenching of divalent bismuth ions occurs in heavily Bi2+‐doped Sr2P2O7 phosphors along with a blueshift of the emission peak at higher temperature.
ChemInform Abstract: On the Synthesis of Layered Double Hydroxides (LDHs) by Reconstruction Method Based on the “Memory Effect”
Authors: Mascolo G. , Mascolo M. C.
Published: August 2015

Review: 50 refs.
ChemInform Abstract: Invited Review: Some Recent Developments in the Atomic‐Scale Characterization of Structural and Transport Properties of Ceria‐Based Catalysts and Ionic Conductors
Authors: Yashima Masatomo
Published: August 2015

Review: 107 refs.
ChemInform Abstract: The Hydric Effect in Inorganic Nanomaterials for Nanoelectronics and Energy Applications
Authors: Sun Xu , Guo Yuqiao , Wu Changzheng , Xie Yi
Published: August 2015

Review: 139 refs.
ChemInform Abstract: Metal‐Organic Framework Composites: From Fundamentals to Applications
Authors: Li Shaozhou , Huo Fengwei
Published: August 2015

Review: 197 refs.
ChemInform Abstract: Recent Advances in the Syntheses and Characterization of Polymer Anchored Transition Metal Complexes
Authors: Ahmed Ayman H.
Published: August 2015

Review: 20 refs.
ChemInform Abstract: Emerging Approaches for the Synthesis of Triazoles: Beyond Metal‐Catalyzed and Strain‐Promoted Azide—Alkyne Cycloaddition
Authors: Lima Carolina G. S. , Ali Akbar , van Berkel Sander S. , Westermann Bernhard , Paixao Marcio W.
Published: August 2015

Review: [40 refs.
ChemInform Abstract: Ubiquitous Benzoquinones, Multitalented Compounds for Palladium‐Catalyzed Oxidative Reactions
Authors: Vasseur Alexandre , Muzart Jacques , Le Bras Jean
Published: August 2015

Review: [60 refs.
ChemInform Abstract: Low‐Temperature Olefin Syntheses in View of Parent Fulvenes and Fulvalenes
Authors: Neuenschwander Markus
Published: August 2015

Review: 94 refs.
ChemInform Abstract: Chemistry of 2,5‐Diketopiperazine and Its Bis‐lactim Ether: A Brief Review
Authors: Sano Shigeki , Nakao Michiyasu
Published: August 2015

Review: [97 refs.
ChemInform Abstract: Synthesis and Biological Properties of Multivalent Iminosugars
Authors: Zelli Renaud , Longevial Jean‐Francois , Dumy Pascal , Marra Alberto
Published: August 2015

Review: [89 refs.
ChemInform Abstract: The Carbocation: A Forgotten Lewis Acid Catalyst
Authors: Naidu Veluru Ramesh , Ni Shengjun , Franzen Johan
Published: August 2015

Review: [39 refs.
ChemInform Abstract: Cycloadditions to Epoxides Catalyzed by Group III—V Transition‐Metal Complexes
Authors: D'Elia Valerio , Pelletier Jeremie D. A. , Basset Jean‐Marie
Published: August 2015

Review: [63 refs.
ChemInform Abstract: An Iron Catalyst for Asymmetric Alkene Hydrosilylation
Authors: Nikonov Georgii I.
Published: August 2015

Review: 17 refs.
ChemInform Abstract: Fused 1,4‐Benzothiazine Ring Systems from O‐Aminothiophenol and Its Derivatives as Versatile Synthons
Authors: Chandrasekhar Batchu
Published: August 2015

Review: synthesis of various 1,4‐benzothiazine derivatives and their potential to deveop better chemotherapeutic agents; 134 refs.
ChemInform Abstract: Iron‐ and Cobalt‐Catalyzed Alkene Hydrogenation: Catalysis with Both Redox‐Active and Strong Field Ligands
Authors: Chirik Paul J.
Published: August 2015

Review: 70 refs.
ChemInform Abstract: Solid‐State Polycondensation (SSP) as a Method to Obtain High Molecular Weight Polymers. Part I. Parameters Influencing the SSP Process
Authors: Steinborn‐Rogulska Izabela , Rokicki Gabriel
Published: August 2015

Review: 97 refs.
ChemInform Abstract: Isomerization of Allylbenzenes
Authors: Hassam Mohammad , Taher Abu , Arnott Gareth E. , Green Ivan R. , van Otterlo Willem A. L.
Published: August 2015

Review: 909 refs.
ChemInform Abstract: Palladium‐Catalyzed Sp2 C—N Bond Forming Reactions: Recent Developments and Applications
Authors: Lemen Georgia S. , Wolfe John P.
Published: August 2015

Review: recent developments in the field of Pd‐catalyzed sp2 C‐N bond formation reportd in the primary literature between 2004 and 2008
ChemInform Abstract: Synthetic Application of Pipecolic Acid
Authors: Mohapatra Seetaram , Bhakta Sujitlal , Baral Nilofar , Nayak Sabita
Published: August 2015

Review: data from 2000 to 2013; 27 refs.
ChemInform Abstract: Catalytic Asymmetric Synthesis of Cα‐Tetrasubstituted α‐Amino Acids
Authors: Zhou Jian
Published: August 2015

Review: 20 refs.
ChemInform Abstract: Recent Advances in the Synthesis of 2H‐1,4‐Pyridoxazin‐3‐(4H)‐one Derivatives and Its Pharmaceutical Significance
Authors: Ankalgi Amar Deep , Ranawat Mahendra Singh
Published: August 2015

Review: 18 refs.
ChemInform Abstract: Electron Transfer Across Helical Peptides
Authors: Amdursky Nadav
Published: August 2015

Review: 190 refs.
ChemInform Abstract: Structure and Nanostructure in Ionic Liquids
Authors: Hayes Robert , Warr Gregory G. , Atkin Rob
Published: August 2015

Review: 1529 refs.
ChemInform Abstract: Recent Applications of Carbon Nanomaterials in Fluorescence Biosensing and Bioimaging
Authors: Wen Jia , Xu Yongqian , Li Hongjuan , Lu Aiping , Sun Shiguo
Published: August 2015

Review: 215 refs.
ChemInform Abstract: Safer Electrolytes for Lithium‐Ion Batteries: State of the Art and Perspectives
Authors: Kalhoff Julian , Eshetu Gebrekidan Gebresilassie , Bresser Dominic , Passerini Stefano
Published: August 2015

Review: 290 refs.
ChemInform Abstract: Carbon Dioxide Mineral Carbonation Through PH‐Swing Process: A Review
Authors: Azdarpour Amin , Asadullah Mohammad , Junin Radzuan , Manan Muhammad , Hamidi Hossein , Daud Ahmad Rafizan Mohamad
Published: August 2015

Review: 15 refs.
ChemInform Abstract: Computational Chemistry for NH3 Synthesis, Hydrotreating, and NOx Reduction: Three Topics of Special Interest to Haldor Topsoe
Authors: Elnabawy Ahmed O. , Rangarajan Srinivas , Mavrikakis Manos
Published: August 2015

Review: 141 refs.
ChemInform Abstract: Single‐Crystal Organic Field‐Effect Transistors of Naphthodifurans
Authors: Mitsui Chikahiko , Soeda Junshi , Miwa Kazumoto , Shoyama Kazutaka , Ota Yoshinori , Tsuji Hayato , Takeya Jun , Nakamura Eiichi
Published: August 2015

Review: [23 refs.
ChemInform Abstract: Unimolecular Rate Expression for Cyclohexene Decomposition and Its Use in Chemical Thermometry under Shock Tube Conditions
Authors: Tsang Wing , Rosado‐Reyes Claudette M.
Published: August 2015

Review: 18 refs.
Stereolability of Chiral Ruthenium Catalysts With Frozen NHC Ligand Conformations Investigated by Dynamic‐HPLC
Authors: Menta Sergio , Pierini Marco , Cirilli Roberto , Grisi Fabia , Perfetto Alessandra , Ciogli Alessia
Published: August 2015

The stereolability of chiral Hoveyda–Grubbs II type ruthenium complexes bearing N‐heterocyclic carbene (NHC) ligands with Syn‐phenyl groups on the backbone and Syn‐ or Anti‐oriented o‐tolyl N‐substituents was studied by resorting to dynamic high‐performance liquid chromatography (D‐HPLC). A complete chromatographic picture of the involved stereoisomers (four for Anti‐ and two for Syn‐complexes) was achieved at very low temperatures (−53°C and −40°C respectively), at which the NHC‐Ru bond rotations were frozen out. Inspection of the chromatographic profiles recorded at higher temperatures revealed the presence of plateau zones between the couples of either Syn or Anti stereoisomers, attesting to the active interconversion between the eluted species. Such dynamic chromatograms were successfully simulated through procedures based on both theoretical plate and classical stochastic models. The good superimposition achieved between experimental and simulated chromatographic profiles allowed determination of the related isomerization energy barriers (ΔGisom#), all derived by rotation around the NHC‐Ru bond. The obtained diastereomerization barriers between the Anti isomers were found in very good agreement with those previously measured by experimental nuclear magnetic resonance (NMR) and assessed through Density Functional Theory (DFT) calculations. With the same approach, for the first time we also determined the enantiomerization barrier of the Syn isomer. Focused changes to the structure of complex Syn, studied by a molecular modeling approach, were found suitable to strongly reduce the stereolability arising from rotation around the NHC‐Ru bond. Chirality 27:685–692, 2015. © 2015 Wiley Periodicals, Inc.
Sicherheitstechnische Aspekte bei Planung und Bau modularer Produktionsanlagen
Authors: Fleischer Christoph , Wittmann Juri , Kockmann Norbert , Bieringer Thomas , Bramsiepe Christian
Published: August 2015

Die Entwicklung und der Einsatz von modulbasierten Produktionsanlagen wird als Strategie angesehen, um auf wachsende Anforderungen an den weltweiten Chemiemarkt reagieren zu können. Bei den neuen Anlagentypen handelt es sich wie bei klassischen Anlagen um ein Arbeitsmittel, das vor dem Gebrauch hinsichtlich der sicheren Benutzung geprüft werden muss. Daher müssen Risikoanalysemethoden identifiziert und effizient angewendet werden, die einen sicheren Betrieb gewährleisten. Anhand von intra‐ und intermodularen Sicherheitsbetrachtungen, der Anwendung einer Moduldatenbank sowie der Kategorisierung von Modulen in Betriebsfensterklassen kann der erforderliche Aufwand hin zur sicheren Produktionsanlage reduziert werden.
Neue Produktionskonzepte für die Prozessindustrie erfordern modularisierte Logistiklösungen
Authors: Kessler Stephan , Brüll Ludger
Published: August 2015

Neuartige Produktionskonzepte für chemische und verfahrenstechnische Herstellungsprozesse rücken verstärkt in den Fokus der Industrie. Hier werden die wichtigsten Anforderungen an logistische Assets, Steuerungs‐ und Planungsprozesse sowie Mitarbeiter dargestellt, die zu bearbeiten sind, um die Vorteile der Modularisierung in der Prozessindustrie nutzbar zu machen. Dabei ist zu berücksichtigen, dass das dargestellte Forschungsprogramm keinen Anspruch auf Vollständigkeit erhebt. Gespräche mit Verantwortlichen in der Supply Chain und Logistik der Prozessindustrie haben die Bedeutung der dargestellten Forschungsaufgaben jedoch bestätigt. Weitere Themen (z. B. in Bezug auf Geschäftsmodelle und IT‐Integration) können bei Bedarf ergänzt werden.
Benefit of Anticoagulation Therapy in Hyperthyroidism‐Related Atrial Fibrillation
Authors: Chan Pak‐Hei , Hai Jojo , Yeung Chun‐Yip , Lip Gregory Y.H. , Lam Karen Siu‐Ling , Tse Hung‐Fat , Siu Chung‐Wah
Published: August 2015

Background

Existing data on the risk of ischemic stroke in hyperthyroidism‐related atrial fibrillation (AF) and the impact of long‐term anticoagulation in these patients, particularly those with self‐limiting AF, remain inconclusive.

Hypothesis

Risk of stroke in hyperthyroidism‐related AF is the same as nonhyperthyroid counterparts.

Methods

This was a single‐center observational study of 9727 Chinese patients with nonvalvular AF from July 1997 to December 2011. Patients with AF diagnosed concomitantly with hyperthyroidism were identified. Primary and secondary endpoints were defined as hospitalization with ischemic stroke and intracranial hemorrhage in the first 2 years. Patient characteristics, duration of AF, and choice of antithrombotic therapy were recorded. Self‐limiting AF was defined as <7 days' duration.

Results

Out of 9727 patients, 642 (6.6%) had concomitant hyperthyroidism and AF at diagnosis. For stroke prevention, 136 and 243 patients (21.1% and 37.9%) were prescribed warfarin and aspirin, respectively, whereas the remaining patients (41.0%) received no therapy. Ischemic stroke occurred in 50 patients (7.8%), and no patient developed hemorrhagic stroke. Patients with CHA2DS2‐VASc of 0 did not develop stroke. Warfarin effectively reduced the incidence of stroke compared with aspirin or no therapy in patients with CHA2DS2‐VASc ≥1 and non–self‐limiting AF, but not in those with self‐limiting AF or CHA2DS2‐VASc of 0. Presence of hyperthyroidism did not confer additional risk of ischemic stroke compared with nonhyperthyroid AF.

Conclusions

Patients with hyperthyroidism‐related AF are at high risk of stroke (3.9% per year). Warfarin confers stroke prevention in patients with CHA2DS2‐VASc ≥1 and non–self‐limiting AF. Overall stroke risk was lower in hyperthyroid non–self‐limiting AF patients compared with nonhyperthyroid counterparts.
PDE constrained optimization of electrical defibrillation in a 3D ventricular slice geometry
Authors: Chamakuri Nagaiah , Kunisch Karl , Plank Gernot
Published: August 2015

A computational study of an optimal control approach for cardiac defibrillation in a 3D geometry is presented. The cardiac bioelectric activity at the tissue and bath volumes is modeled by the bidomain model equations. The model includes intramural fiber rotation, axially symmetric around the fiber direction, and anisotropic conductivity coefficients, which are extracted from a histological image. The dynamics of the ionic currents are based on the regularized Mitchell–Schaeffer model. The controls enter in the form of electrodes, which are placed at the boundary of the bath volume with the goal of dampening undesired arrhythmias. The numerical optimization is based on Newton techniques. We demonstrated the parallel architecture environment for the computation of potentials on multidomains and for the higher order optimization techniques. Copyright © 2015 John Wiley & Sons, Ltd.
Effect of 3 Single‐Dose Regimens of Opicapone on Levodopa Pharmacokinetics, Catechol‐O‐Methyltransferase Activity and Motor Response in Patients With Parkinson Disease
Authors: Rocha José‐Francisco , Ferreira Joaquim J. , Falcão Amílcar , Santos Ana , Pinto Roberto , Nunes Teresa , Almeida Luis , Soares‐da‐Silva Patrício
Published: August 2015

This study determined the effects of single doses of opicapone (OPC), a novel third‐generation catechol‐O‐methyltransferase (COMT) inhibitor, on levodopa and 3‐O‐methyl‐levodopa (3‐OMD) pharmacokinetics (PK), COMT activity and motor fluctuations in patients with Parkinson disease (PD). Subjects received, in a double‐blind manner, 25, 50, and 100 mg OPC or placebo (PLC) in 4 separate treatment periods. The washout period between doses was at least 10 days. During each period, the OPC/PLC capsules were to be coadministered with the morning dose of 100/25 mg levodopa/carbidopa (LC) or levodopa/benserazide (LB) on day 3. In relation to PLC, levodopa exposure increased 3.7%, 16.4%, and 34.8% following 25, 50, or 100 mg OPC, respectively. Maximum S‐COMT inhibition (Emax) ranged from 67.8% (25 mg OPC) to 100% (100 mg OPC). Peak and extent of S‐COMT inhibition were dose‐dependent. Maximum decrease in the plasma 3‐OMD was observed following administration of 100 mg OPC. Opicapone administered concomitantly with standard‐release 100/25 mg LC or LB improved motor performance. Treatments were generally well tolerated and safe. It was concluded that OPC is a new COMT inhibitor that significantly decreased COMT activity and increased systemic exposure to levodopa in PD patients with motor fluctuations.
Automatic I/O scheduling algorithm selection for parallel file systems
Authors: Boito Francieli Zanon , Kassick Rodrigo Virote , Navaux Philippe O. A. , Denneulin Yves
Published: August 2015

This article presents our approach to provide input/output (I/O) scheduling with double adaptivity: to applications and devices. In high‐performance computing environments, parallel file systems provide a shared storage infrastructure to applications. In the situation where multiple applications access this shared infrastructure concurrently, their performance can be impaired because of interference. Our work focuses on I/O scheduling as a tool to improve performance by alleviating interference effects. The role of the I/O scheduler is to decide the order in which applications' requests must be processed by the parallel file system's servers, applying optimizations to adjust the resulting access pattern for improved performance. Our approach to improve I/O scheduling results is based on using information from applications' access patterns and storage devices' sensitivity to access sequentiality. We have applied machine learning to provide the ability to automatically select the best scheduling algorithm for each situation. Our approach improves performance by up to 75% over an approach that uses the same scheduling algorithm to all situations, without adaptability. Our results evidence that both aspects – applications and storage devices – are essential to make good scheduling decisions. Copyright © 2015 John Wiley & Sons, Ltd.
Performance and energy aware scheduling simulator for HPC: evaluating different resource selection methods
Authors: Gómez‐Martín César , Vega‐Rodríguez Miguel A. , González‐Sánchez José‐Luis
Published: August 2015

Today, in an energy‐aware society, job scheduling is becoming an important task for computer engineers and system analysts that may lead to a performance per Watt trade‐off of computing infrastructures. Thus, new algorithms, and a simulator of computing environments, may help information and communications technology and data center managers to make decisions with a solid experimental basis. There are several simulators that try to address performance and, somehow, estimate energy consumption, but there are none in which the energy model is based on benchmark data that have been countersigned by independent bodies such as the Standard Performance Evaluation Corporation. This is the reason why we have implemented a performance and energy‐aware scheduling (PEAS) simulator for high‐performance computing. Furthermore, to evaluate the simulator, we propose an implementation of the non‐dominated sorting genetic algorithm‐II (NSGA‐II) algorithm, a fast and elitist multiobjective genetic algorithm, for the resource selection. With the help of the PEAS simulator, we have studied if it is possible to provide an intelligent job allocation policy that may be able to save energy and time without compromising performance. The results of our simulations show a great improvement in response time and power consumption. In most of the cases, NSGA‐II performs better than other ‘intelligent’ algorithms like multiobjective heterogeneous earliest finish time and clearly outperforms the first‐fit algorithm. We demonstrate the usefulness of the simulator for this type of studies and conclude that the superior behavior of multiobjective algorithms makes them recommended for use in modern scheduling systems. Copyright © 2015 John Wiley & Sons, Ltd.
Bicomponent Assembly of VO2 and Polyaniline‐Functionalized Carbon Nanotubes for the Selective Oxidation of Biomass‐Based 5‐Hydroxymethylfurfural to 2,5‐Diformylfuran
Authors: Guo Yuanyuan , Chen Jinzhu
Published: August 2015

Vanadium dioxide (VO2) immobilized on polyaniline‐functionalized carbon nanotubes (CNTs) (VO2‐PANI/CNT) was prepared for an aerobic oxidation of biomass‐based 5‐hydroxymethylfurfural (HMF) to 2,5‐diformylfuran (DFF) by a bicomponent assembly method, and its structure was characterized by Raman, Brunauer–Emmett–Teller (BET), X‐ray diffraction (XRD), high‐resolution transmission electron microscopy (HRTEM), and X‐ray photoelectron spectroscopy (XPS) technologies. In the reaction system, homogeneously dispersed VO2 nanoparticles were produced by a spontaneous redox process between VO3− anions and the PANI moiety of the PANI/CNT composite material. The PANI/CNT support shows a preferential adsorption to reactant HMF than in the case of product DFF, which can be used as a promoter to prevent the further oxidation of DFF. Hence, compared with other vanadium catalysts, VO2‐PANI/CNT shows excellent catalytic performance for the selective oxidation of HMF to DFF with molecular oxygen as oxidant. In addition, the reaction parameters such as reaction time, reaction temperature, vanadium content, oxygen pressure, and solvent were investigated and a maximum DFF yield of 96 % with a full HMF conversion was observed.