bluuebunny/crossref_metadata_2025 huggingface dataset:
The P‐V‐T equation of state and thermodynamic properties of liquid iron
Authors: Ichikawa Hiroki , Tsuchiya Taku , Tange Yoshinori
Published: January 2014

The equation of state (EoS) and thermodynamic properties of non‐magnetic liquid iron were investigated from energy (E)‐pressure (P)‐volume (V)‐temperature (T) relationships calculated by means of ab initio molecular dynamics simulations at 60–420 GPa and 4000–7000 K. Its internally consistent thermodynamic and elastic properties, in particular, density, adiabatic bulk modulus, and P wave velocity, were then analyzed. Compared to the seismological data of the Earth's outer core, pure liquid iron is found to have an 8–10% larger density and 3–10% larger bulk modulus than the Earth's values. Results also show that the P wave velocity of liquid iron has marginal temperature dependence as the bulk sound velocity of solid iron. The new EoS model and thermodynamic properties of liquid iron may serve as fundamental data for the thermochemical modeling of the Earth's core.
Finescale parameterizations of turbulent dissipation
Authors: Polzin Kurt L. , Naveira Garabato Alberto C. , Huussen Tycho N. , Sloyan Bernadette M. , Waterman Stephanie
Published: January 2014

This article (1) reviews and clarifies the basic physics underpinning finescale parameterizations of turbulent dissipation due to internal wave breaking and (2) provides advice on the implementation of the parameterizations in a way that is most consistent with the underlying physics, with due consideration given to common instrumental issues. Potential biases in the parameterization results are discussed in light of both (1) and (2), and illustrated with examples in the literature. The value of finescale parameterizations for studies of the large‐scale ocean circulation in the presence of common biases is assessed. We conclude that the parameterizations can contribute significantly to the resolution of large‐scale circulation problems associated with plausible ranges in the rates of turbulent dissipation and diapycnal mixing spanning an order of magnitude or more.
Nanostructured membrane electrode assemblies from layer‐by‐layer composite/catalyst containing membranes and their fuel cell performances
Authors: Deligöz Hüseyin , Yılmaztürk Serpil , Gümüşoğlu Tolga
Published: January 2014

In this study, two approaches are compared to develop nanostructured membrane electrode assemblies (MEA) using layer‐by‐layer (lbl) technique. The first is based on the direct deposition of polyallylamine hydrochloride (PAH) and sulfonated polyaniline (sPAni) on Nafion support to prepare lbl composite membrane. In the second approach, sPAni is coated on the support in the presence of platinum (Pt) salt, Nafion solution and Vulcan for obtaining catalyst containing membranes (CCMs). SEM and UV–vis analysis show that the multilayers are deposited on both sides of Nafion successfully. Although H2/O2 single cell performances of acid doped lbl composite membrane based MEA are found to be at the range of 126 and 160 mW cm−2 depending on the number of deposited layers, the cell performance of MEA obtained from catalyst containing lbl self‐assembled thin membrane (PAH/sPAni‐H+)10‐Pt is found to be 360 mW cm−2 with a Pt utilization of 720 mW mgPt−1. This performance is 82% higher as compared to original Nafion®117 based MEA (198 mW cm−2). From the cell performance evaluations for different structured MEAs, it is mainly found out that the use of lbl CCMs instead of composite membranes and fabrication of thinner electrolytes result in a higher H2/O2 cell activity due to significant reduction in ohmic resistivity. Also, it is observed that the use of sPAni slightly improves the cell performance due to an increased probability of the triple phase contact and it can lead to superior physicochemical properties such as conductivity and thermal stability. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40314.
The Cyclic Cystine Ladder of Theta‐Defensins as a Stable, Bifunctional Scaffold: A Proof‐of‐Concept Study Using the Integrin‐Binding RGD Motif.
Authors: Conibear Anne C. , Bochen Alexander , Rosengren K. Johan , Stupar Petar , Wang Conan , Kessler Horst , Craik David J.
Published: January 2014

Peptides have the specificity and size required to target the protein–protein interactions involved in many diseases. Some cyclic peptides have been utilised as scaffolds for peptide drugs because of their stability; however, other cyclic peptide scaffolds remain to be explored. θ‐Defensins are cyclic peptides from mammals; they are characterised by a cyclic cystine ladder motif and have low haemolytic and cytotoxic activity. Here we demonstrate the potential of the cyclic cystine ladder as a scaffold for peptide drug design by introducing the integrin‐binding Arg‐Gly‐Asp (RGD) motif into the θ‐defensin RTD‐1. The most active analogue had an IC50 of 18 nM for the αvβ3 integrin as well as high serum stability, thus demonstrating that a desired bioactivity can be imparted to the cyclic cystine ladder. This study highlights how θ‐defensins can provide a stable and conformationally restrained scaffold for bioactive epitopes in a β‐strand or turn conformation. Furthermore, the symmetry of the cyclic cystine ladder presents the opportunity to design peptides with dual bioactive epitopes to increase activity and specificity.
Aluminum Fluoride‐Supported Platinum and Palladium as Highly Efficient Catalysts of n‐Pentane Hydroisomerization
Authors: Machynskyy Ostap , Kemnitz Erhard , Karpiński Zbigniew
Published: January 2014

Catalytic isomerization of n‐pentane was studied over novel high surface area (HS) aluminum fluoride supported palladium and platinum catalysts, prepared by the nonaqueous fluorolytic sol–gel synthesis. HS‐AlF3 maintained well its nanoscopic, mesoporous, and highly acidic character at higher temperatures, up to 350 °C. Both Pt/HS‐AlF3 and Pd/HS‐AlF3 catalysts, characterized by very small metal particle sizes (≈2 nm) maintained very good activity, stability, and selectivity towards isomerization (up to nearly 100 %) at up to 350 °C. Very strong acidity of HS‐AlF3 is the prerequisite for isomerization but the presence of the metal is also essential to maintain a high conversion level. The effect of metal–acid balance in Pd/HS‐AlF3 catalysts, important for bifunctional isomerization, was tested by screening three differently metal‐loaded catalysts. The performance of the 0.5 wt % Pd/HS‐AlF3 appeared as good as that of 2.0 wt % Pd. The properties of the HS‐AlF3 support, catalyst precursors, and catalysts were characterized by XRD, TEM, H2 chemisorption, and FTIR photoacustic spectroscopy of adsorbed pyridine, and NH3 temperature programmed desorption. The first three methods allowed evaluating the state of the metal in the reduced catalysts. The suppressed chemisorption of H2 must result from different factors, such as carbon presence in Pd introduced during catalyst synthesis and activation, metal–acidic support interaction, and, partially, metal encapsulation in AlF3 during sol–gel synthesis. Lewis and Brønsted acidity was detected in activated catalysts and both types of acid sites were assumed to play a role in bifunctional isomerization. NH3 effectively blocks the strongest acid sites and drastically limits the overall catalytic performance. Introduction of water to the reaction system also degrades, but to a lesser extent, the Pd(Pt)/HS‐AlF3 catalyst performance, most probably because of poisoning of only the strongest Lewis acid sites.
Titania‐Photocatalyzed Transfer Hydrogenation Reactions with Methanol as a Hydrogen Source: Enhanced Catalytic Performance by Pd–Pt Alloy at Ambient Temperature
Authors: Zhao Yubao , Pan Feng , Li Hui , Xu Guo Qin , Chen Wei
Published: January 2014

Hydrogenation reactions are of great importance in scientific research and in industry productions. Herein, we designed a novel system to realize photocatalytic transfer hydrogenation by using solar light as the energy input and methanol as the hydrogen source. In this reaction, titania loaded with Pd–Pt bimetallic alloy nanocrystals as a cocatalyst exhibited photocatalytic performance that was remarkably superior to that exhibited by titania with Pd or Pt alone as the cocatalyst. This work has shed light on the rational design of multifunctional catalysts through selecting appropriate bimetallic alloys as efficient cocatalysts.
From Homoconjugated Push–Pull Chromophores to Donor–Acceptor‐Substituted Spiro Systems by Thermal Rearrangement
Authors: Dengiz Cagatay , Dumele Oliver , Kato Shin‐ichiro , Zalibera Michal , Cias Pawel , Schweizer W. Bernd , Boudon Corinne , Gisselbrecht Jean‐Paul , Gescheidt Georg , Diederich François
Published: January 2014

Series of homoconjugated push–pull chromophores and donor–acceptor (D–A)‐functionalized spiro compounds were synthesized, in which the electron‐donating strength of the anilino donor groups was systematically varied. The structural and optoelectronic properties of the compounds were investigated by X‐ray analysis, UV/Vis spectroscopy, electrochemistry, and computational analysis. The homoconjugated push–pull chromophores with a central bicyclo[4.2.0]octane scaffold were obtained in high yield by [2+2] cycloaddition of 2,3‐dichloro‐5,6‐dicyano‐p‐benzoquinone (DDQ) toN,N‐dialkylanilino‐ orN,N‐diarylanilino‐substituted activated alkynes. The spirocyclic compounds were formed by thermal rearrangement of the homoconjugated adducts. They also can be prepared in a one‐pot reaction starting from DDQ and anilino‐substituted alkynes. Spiro products withN,N‐diphenylanilino andN,N‐diisopropylanilino groups were isolated in high yields whereas compounds with pyrrolidino, didodecylamino, and dimethylamino substituents gave poor yields, with formation of insoluble side products. It was shown by in situ trapping experiments with TCNE that cycloreversion is possible during the thermal rearrangement, thereby liberating DDQ. In the low‐yielding transformations, DDQ oxidizes the anilino species present, presumably via an intermediate iminium ion pathway. Such a pathway is not available for theN,N‐diphenylanilino derivative and, in the case of theN,N‐diisopropylanilino derivative, would generate a strained iminium ion (A1,3 strain). The mechanism of the thermal rearrangement was investigated by EPR spectroscopy, which provides good evidence for a proposed biradical pathway starting with the homolytic cleavage of the most strained (CN)CC(CN) bond between the fused four‐ and six‐membered rings in the homoconjugated adducts.
ChemInform Abstract: New Polymorph of InVO4: A High‐Pressure Structure with Six‐Coordinated Vanadium.
Authors: Errandonea Daniel , Gomis Oscar , Garcia‐Domene Braulio , Pellicer‐Porres Julio , Katari Vasundhara , Achary S. Nagabhusan , Tyagi Avesh K. , Popescu Catalin
Published: January 2014

High‐pressure XRD and Raman spectroscopy on orthorhombic InVO4 (space group Cmcm, Z = 4) reveal the existence of a new wolframite‐type polymorph of InVO4 near 7 GPa.
ChemInform Abstract: Cs2.91Na1.34Fe3+0.25 [Fe3O(SO4)6 (H2O)3]·5H2O, a Member of the Maus′s Salt Family.
Authors: Mereiter Kurt
Published: January 2014

The title compound crystallizes upon slow evaporation of aq.
ChemInform Abstract: The Polar Phase of Li2Ge4O9 at 298, 150 and 90 K.
Authors: Redhammer Guenther J. , Tippelt Gerold
Published: January 2014

The title compound is obtained by high‐temperature flux melting of stoichiometric amounts of Li2CO3, Al2O3, and GeO2 together with a 10‐fold excess of a flux consisting of 80 wt% Li2MoO4 and 20 wt% LiVO3 (Pt crucible, 1473 K, 12 h, cooling to 873 K with a rate of 3 K/h).
ChemInform Abstract: Complex 5d Magnetism in a Novel S = 1/2 Trimer System, the 12L Hexagonal Perovskite Ba4BiIr3O12.
Authors: Miiller Wojciech , Dunstan Matthew T. , Huang Zixin , Mohamed Zakiah , Kennedy Brendan J. , Avdeev Maxim , Ling Chris D.
Published: January 2014

The title compound is prepared by solid state reaction of BaCO3, Bi2O3 (10% excess), and Ir metal (1173 K, 2 d).
ChemInform Abstract: Polar and Magnetic Layered A‐Site and Rock Salt B‐Site‐Ordered NaLnFeWO6 (Ln: La, Nd) Perovskites.
Authors: Greenblatt M. , et al. et al.
Published: January 2014

NaLaFeWO6 (I) and NaNdFeWO6 (II) are prepared by thermal decomposition (1% H2/Ar, 900 °C, 6 h for (I), 5% H2/N2, 850 °C, 2 h for (II)) of appropriate precursors obtained by reacting stoichiometric amounts of Na2CO3, La2O3, Nd2O3, FeC2O4, and (NH4)10W12O41 in aqueous citric acid solution containing HNO3 followed by solvent evaporation to yield an organic resin which is dried and decomposed (air, 600 °C, 12 h).
ChemInform Abstract: Synthesis and Characterization of an Inorganic‐Organic Hybrid Framework Phosphite Containing Infinite Edge‐Sharing Cobalt Chains.
Authors: Wang Xuelei , Yan Yan , Wu Junbiao , Dong Zhaojun , Li Li , Li Jiyang
Published: January 2014

(dab)[Co3(OH)2(HPO3)2] (dab: 1,4‐diaminobutane) is prepared by hydrothermal reaction of Co(OAc)2, H3PO3, and dab (H2O, autoclave, 160 °C, 3 d).
ChemInform Abstract: Hydrogen‐Bond Mediated Regio‐ and Enantioselectivity in a C—H Amination Reaction Catalyzed by a Supramolecular Rh(II) Complex.
Authors: Hoeke Thorsten , Herdtweck Eberhardt , Bach Thorsten
Published: January 2014

3‐Benzylquinolones (I) undergo an enantioselective C—H amination reaction, which is mediated by hydrogen bonding with the lactam part of a supramolecular Rh(II) complex.
ChemInform Abstract: Nanoaggregates of Simple Mn Porphyrin Complexes as Catalysts for the Selective Oxidation of Hydrocarbons.
Authors: Rezaeifard Abdolreza , Soltani Vahideh , Jafarpour Maasoumeh
Published: January 2014

Colloidal nanoparticles of a manganese porphyrin complex efficiently catalyze the oxidation of saturated hydrocarbons and the epoxidation of olefins.
ChemInform Abstract: Palladium Nanoparticles Supported on mpg‐C3N4 as Active Catalyst for Semihydrogenation of Phenylacetylene under Mild Conditions.
Authors: Deng Dongshun , Yang Yang , Gong Yutong , Li Yi , Xu Xuan , Wang Yong
Published: January 2014

Pd‐nanoparticles supported on mesoporous graphitic carbon nitride is found to be an effective, heterogeneous catalyst for the liquid‐phase semihydrogenation of phenylacetylenes under mild conditions.
ChemInform Abstract: One‐Pot Solid Phase Synthesis of (E)‐Nitroalkenes.
Authors: Rokhum Lalthazuala , Bez Ghanashyam
Published: January 2014

An efficient one‐pot protocol for the synthesis of (E)‐nitroalkenes by reaction of aldehydes and nitroalkanes in the presence of polymer‐bound triphenylphosphine, iodine, and imidazole is described.
ChemInform Abstract: Asymmetric Hydrogenation of tert‐Alkyl Ketones: DMSO Effect in Unification of Stereoisomeric Ruthenium Complexes.
Authors: Yamamura Tomoya , Nakatsuka Hiroshi , Tanaka Shinji , Kitamura Masato
Published: January 2014

The asymmetric hydrogenation of functionalized tert‐alkyl ketones can be realized for the first time by using a binaphthalen derived Ru‐complex in combination with coordinated DMSO to yield chiral alcohols with high enantioselectivities.
ChemInform Abstract: In situ Formation of Vilsmeier Reagents Mediated by Oxalyl Chloride: A Tool for the Selective Synthesis of N‐Sulfonylformamidines.
Authors: Gazvoda Martin , Kocevar Marijan , Polanc Slovenko
Published: January 2014

A mild and efficient cleavage of the prepared N‐sulfonylformamidines is achieved with hydrazine hydrate (not shown).
ChemInform Abstract: Highly Enantioselective Reduction of α‐Methylated Nitroalkenes.
Authors: Burda Edyta , Ress Tina , Winkler Till , Giese Carolin , Kostrov Xenia , Huber Tobias , Hummel Werner , Groeger Harald
Published: January 2014

An enzymatic reduction reaction of different substituted nitroalkenes to give chiral nitroalkanes with enantiomeric excess up to 95% e.e.
ChemInform Abstract: One‐Pot Conversion of Phenols to Anilines via Smiles Rearrangement.
Authors: Xie Yong‐Sheng , Vijaykumar B. V. D. , Jang Kiwan , Shin Hong‐Hyun , Zuo Hua , Shin Dong‐Soo
Published: January 2014

A direct conversion of phenols to anilines is achieved by using a one‐pot, three‐step route with a Smiles rearrangement as the key step.
ChemInform Abstract: Developing Catalytic Applications of Cooperative Bimetallics: Competitive Hydroamination/Trimerization Reactions of Isocyanates Catalyzed by Sodium Magnesiates.
Authors: Hernan‐Gomez Alberto , Bradley Tyne D. , Kennedy Alan R. , Livingstone Zoe , Robertson Stuart D. , Hevia Eva
Published: January 2014

The catalytic behavior of the applied catalyst can be tuned by controlling the steric bulk of the isocyanates employed.
ChemInform Abstract: Highly Selective and Efficient Lewis Acid—Base Catalysts Based on Lanthanide‐Containing Polyoxometalates for Oximation of Aldehydes and Ketones.
Authors: Zhao Shen , Huang Lujiang , Song Yu‐Fei
Published: January 2014

This easily prepared catalyst can be reused over six times without significant loss of activity.
ChemInform Abstract: Coenzyme‐Inspired Chemistry 2: 4,5‐Dihydroimidazolium Ylides (NHCs) and the Reactions of 2‐(1‐Hydroxyalkyl)‐4,5‐dihydroimidazoles.
Authors: Jones Raymond C. F. , Nichols John R.
Published: January 2014

Alcohols (I) are readily converted into aromatic ketones (II) under the action of catalytic hydrochloric acid.
ChemInform Abstract: Synthesis, Structure, and Antioxidant Activity of Hybrid N‐Substituted Salicylic Acid Amides.
Authors: Storozhok N. M. , Medyanik N. P. , Krysin A. P. , Krekov S. A. , Borisenko V. E.
Published: January 2014

The amides show efficient antioxidant activity at different steps of the complex radical oxidation process.
ChemInform Abstract: Catalytic Stereospecific Alkylation of Malononitriles with Enantioenriched Primary Allylic Amines.
Authors: Li Man‐Bo , Li Hao , Wang Ju , Liu Cong‐Rong , Tian Shi‐Kai
Published: January 2014

The reaction proceeds with perfect retention of optical purity and alkene geometry.
ChemInform Abstract: Catalytic Asymmetric Benzidine Rearrangement.
Authors: De Chandra Kanta , Pesciaioli Fabio , List Benjamin
Published: January 2014

Electronically and structurally diverse axially chiral binaphthyldiamine derivatives are synthesized by the developed title rearrangement.
ChemInform Abstract: PdII‐Catalyzed Spiroketalization of Ketoallylic Diols.
Authors: Palmes Jean A. , Paioti Paulo H. S. , Perez de Souza Leonardo , Aponick Aaron
Published: January 2014

A high yielding stereoselective and mild method for the synthesis of spiroketals from simple ketoallylic diols is presented.
ChemInform Abstract: Palladium(0)‐Catalyzed Intramolecular Dearomative Arylation of Pyrroles.
Authors: Wu Ke‐Jia , Dai Li‐Xin , You Shu‐Li
Published: January 2014

The spironaphthalene‐pyrrolidine motif is present in numerous bioactive compounds.
ChemInform Abstract: Hydrogen Bonding and Alcohol Effects in Asymmetric Hypervalent Iodine Catalysis: Enantioselective Oxidative Dearomatization of Phenols.
Authors: Uyanik Muhammet , Yasui Takeshi , Ishihara Kazuaki
Published: January 2014

This novel and highly effective method gives access to the compounds (II) and (IV) with high enantioselectivities.
ChemInform Abstract: Novel Cycloalkylthiophene—Imine Derivatives Bearing Benzothiazole Scaffold: Synthesis, Characterization and Antiviral Activity Evaluation.
Authors: Ke Shaoyong , Wei Yanhong , Yang Ziwen , Wang Kaimei , Liang Ying , Shi Liqiao
Published: January 2014

25 Title compounds of type (V) are prepared and screened for their antiviral activities.
ChemInform Abstract: Efficient Synthesis of Hydroxyl Isoindolones by a Pd‐Mediated C—H Activation/Annulation Reaction.
Authors: Yu Qingzhen , Zhang Nana , Huang Jianhui , Lu Shaonan , Zhu Yi , Yu Xiaoxiao , Zhao Kang
Published: January 2014

A convenient synthesis of hydroxyl isoindolones by a Pd‐catalyzed C—H activation/annulation reaction is presented.
ChemInform Abstract: Preparation of 2‐Vinylindoline Derivatives by Oxidative Cyclization of 2‐Alkenylanilines.
Authors: Mazgarova G. G. , Skladchikov D. A. , Nikolaev V. P. , Gataullin R. R.
Published: January 2014

Pd‐catalyzed oxidative cyclization of N‐protected o‐alkenylanilines (I) and (III) gives stereoselectively trans‐3‐alkyl‐2‐vinylindolines (II) and (IV), respectively.
ChemInform Abstract: Synthesis of Polycyclic Aminocyclobutane Systems by the Rearrangement of N‐(ortho‐Vinylphenyl) 2‐Azabicyclo[3.1.0]hexane Derivatives.
Authors: Wasilewska Agnieszka , Wozniak Bartosz A. , Doridot Gabriel , Piotrowska Kamila , Witkowska Natalia , Retailleau Pascal , Six Yvan
Published: January 2014

The synthesis of the title compounds strongly depends on the applied conditions and the substitution pattern.
ChemInform Abstract: Gold‐Catalyzed Cascade Cycloisomerization of 1,7‐Diyn‐3,6‐bis(propargyl carbonate)s: Stereoselective Synthesis of Naphtho[b]cyclobutenes.
Authors: Chen Ming , Liu Jun , Wang Lu , Zhou Xiaobo , Liu Yuanhong
Published: January 2014

The reaction mechanism involves Gold‐catalyzed double 3,3‐rearrangement, 6‐π‐electronic reaction and decarbonylative cyclization.
ChemInform Abstract: A Novel Method for the Synthesis of 2‐Aryl‐3,4‐dihydroimidazo[4,5‐b]indoles.
Authors: Red'ko T. S. , Lyakhovnenko A. S. , Aksenov N. A. , Aksenov A. V.
Published: January 2014

Condensed system (II) is obtained from aroylindoles (I) via Schmidt reaction and subsequent electrophilic amination of arenes using the sodium azide/PPA reagent system.
ChemInform Abstract: Procedure‐Controlled Enantioselectivity Switch in Organocatalytic 2‐Oxazolidinone Synthesis.
Authors: Fukata Yukihiro , Asano Keisuke , Matsubara Seijiro
Published: January 2014

The enantioselectivity of this method depends on the employed reaction sequence (with regards to substrates and organocatalyst).
ChemInform Abstract: An Efficient Electrochemical Method for the Atom Economical Synthesis of Some Benzoxazole Derivatives
Authors: Salehzadeh Hamid , Nematollah Davood , Hesari Hooman
Published: January 2014

by oxidation of catechol (I) in the presence of benzylamines
ChemInform Abstract: Synthesis of New 2‐Alkyl‐5‐arylimino‐2,5‐dihydroisothiazole Derivatives.
Authors: Skrastina I. , Baran A. , Muceniece D.
Published: January 2014

The title compounds reveal high cytotoxic activity against HT‐1080 and MG‐22A cancer cell lines.
ChemInform Abstract: Synthesis of 1,2,3‐Triazoles from Heterocyclic α‐Nitro Azides.
Authors: Katorov D. V. , Rudakov G. F. , Katorova I. N. , Yakushkov A. V. , Simonov D. P. , Zhilin V. F.
Published: January 2014

First time, 1,3‐dipolar cycloaddition of heterocyclic α‐nitro azides to substituted alkynes is studied under different conditions either in the absence or in the presence of a copper‐catalyst.
ChemInform Abstract: Salen Complex of Cu(II) Supported on Superparamagnetic Fe3O4@SiO2 Nanoparticles: An Efficient and Recyclable Catalyst for Synthesis of 1‐ and 5‐Substituted 1H‐Tetrazoles.
Authors: Dehghani Farzaneh , Sardarian Ali Reza , Esmaeilpour Mohsen
Published: January 2014

An efficient and general method for the synthesis of 1‐ and 5‐substituted 1H‐tetrazoles using a salen Cu(II) complex supported on magnetite‐silica nanoparticles as the catalyst is reported.
ChemInform Abstract: One‐Pot Enantioselective Synthesis of 3‐Nitro‐2H‐chromenes Catalyzed by a Simple 4‐Hydroxyprolinamide with 4‐Nitrophenol as Cocatalyst.
Authors: Yin Guohui , Zhang Richeng , Li Lei , Tian Jun , Chen Ligong
Published: January 2014

An enantioselective, organocatalytic protocol for preparation of functionalized chromenes via a domino oxa‐Michael‐Henry reaction is developed.
ChemInform Abstract: Palladium(II)‐Catalyzed Direct Carboxylation of Alkenyl C—H Bonds with CO2.
Authors: Sasano Kota , Takaya Jun , Iwasawa Nobuharu
Published: January 2014

The title reaction is realized for the first time.
ChemInform Abstract: Ritter Reaction. Synthesis of 1‐Substituted 3,3,7,9‐Tetramethyl‐2‐azaspiro[4.5]deca‐6,9‐dien‐ and ‐1,6,9‐trien‐8‐ones and 7‐Methoxy‐3,3,6,8‐tetramethyl‐3,4‐dihydroisoquinolines.
Authors: Rozhkova Yu. S. , Galata K. A. , Vshivkova T. S. , Shklyaev Yu. V.
Published: January 2014

The reaction of aromatic and aliphatic nitrils with phenyl‐2‐methylpropan‐1‐oles mediated by sulphuric acid is described.
ChemInform Abstract: Organocatalytic Asymmetric Synthesis of Tetracyclic Pyridocarbazole Derivatives by Using a Diels—Alder/Aza‐Michael/Aldol Condensation Domino Reaction.
Authors: Enders Dieter , Joie Celine , Deckers Kristina
Published: January 2014

The reaction products are isolated as single diastereoisomers.
ChemInform Abstract: Heterocyclization of Dimethyl Malonate with SH Acids and Formaldehyde in the Presence of Catalysts.
Authors: Akhmetova V. R. , Akhmadiev N. S. , Yanybin V. M. , Galimzyanova N. F.
Published: January 2014

Depending on the conditions the reaction of dimethyl malonate with formaldehyde and hydrogen sulfide yields different main products or mixtures.
ChemInform Abstract: KOtBu‐Mediated Stereoselective Addition of Quinazolines to Alkynes under Mild Conditions
Authors: Zhao Dan , Shen Qi , Zhou Yu‐Ren , Li Jian‐Xin
Published: January 2014

leading to E‐alkenylated quinazolines as sole products
ChemInform Abstract: Synthesis of Imidazo[1,2‐a]pyrazine and Imidazo[1,2‐a]pyrimidine Derivatives.
Authors: Borisov A. V. , Tolmachev A. A. , Zavada O. A. , Zhuravel I. A. , Kovalenko S. N.
Published: January 2014

Methods for the synthesis of imidazo[1,2‐a]pyrazine and imidazo[1,2‐a]pyrimidine derivatives and their hydrogenation are presented.
ChemInform Abstract: Hit‐to‐Lead Optimization and Kinase Selectivity of Imidazo[1,2‐a]quinoxalin‐4‐amine Derived JNK1 Inhibitors.
Authors: Shreder Kevin R. , et al. et al.
Published: January 2014

Compound (Ia) is developed as JNK/MAST kinase inhibitor and compound (Ib) as highly selective JNK inhibitor by lead optimization starting from imidazo[1,2‐a]quinoxalin‐4‐yl‐cyclohexylamine.
ChemInform Abstract: Improved Synthesis of 9‐Diethylamino‐1,2,3,4,6‐pentafluoro‐5H‐benzo[a]phenoxazin‐5‐one.
Authors: Ektova L. V. , Berezhnaya V. N.
Published: January 2014

An improved synthesis is given for the title compound (III) which is of interest because of its fluorescent properties.
ChemInform Abstract: N‐Heterocyclic Carbene Organocatalysts for Dehydrogenative Coupling of Silanes and Hydroxyl Compounds.
Authors: Gao Dongjing , Cui Chunming
Published: January 2014

An N‐heterocyclic carbene (NHC) is found to be an efficient and selective catalyst for the dehydrogenative coupling of a wide range of silanes and hydroxyl groups to form Si—O bonds under mild and solvent‐free conditions.
ChemInform Abstract: Green Synthesis of α‐Aminophosphonate Derivatives on a Solid Supported TiO2—SiO2 Catalyst and Their Anticancer Activity.
Authors: Chinthaparthi Radha Rani , Bhatnagar Ira , Gangireddy Chandra Sekhar Reddy , Syama Sundar Chereddy , Cirandur Suresh Reddy
Published: January 2014

The title compounds (IV) (16 examples) are obtained by one‐pot, three‐component Kabachnik—Fields‐reaction under microwave irradiation conditions.
ChemInform Abstract: Synchronous Ar—F and Ar—Sn Bond Formation Through Fluorostannylation of Arynes.
Authors: Yoshida Hiroto , Yoshida Ryuma , Takaki Ken
Published: January 2014

Application of this method is demonstrated by formal total synthesis of flurbiprofen (IX).
ChemInform Abstract: Photoactivatable Chemokines — Controlling Protein Activity by Light.
Authors: Baumann Lars , Beck‐Sickinger Annette G.
Published: January 2014

A set of photoactivatable SDF‐1α analogues by introduction of O‐acyl isopeptides into proteins using expressed protein ligation is prepared.
ChemInform Abstract: 25th Anniversary Article: Galvanic Replacement: A Simple and Versatile Route to Hollow Nanostructures with Tunable and Well‐Controlled Properties
Authors: Xia Xiaohu , Wang Yi , Ruditskiy Aleksey , Xia Younan
Published: January 2014

Review: 161 refs.
ChemInform Abstract: Flexible Nanodielectric Materials with High Permittivity for Power Energy Storage
Authors: Dang Zhi‐Min , Yuan Jin‐Kai , Yao Sheng‐Hong , Liao Rui‐Jin
Published: January 2014

Review: 250 refs.
ChemInform Abstract: Recent Syntheses of Proanthocyanidins
Authors: Makabe Hidefumi
Published: January 2014

Review: 37 refs.
ChemInform Abstract: Method of Continuous Variations: Applications of Job Plots to the Study of Molecular Associations in Organometallic Chemistry
Authors: Renny Joseph S. , Tomasevich Laura L. , Tallmadge Evan H. , Collum David B.
Published: January 2014

Review: 107 refs.
Fingerprinting DNA Oxidation Processes: IR Characterization of the 5‐Methyl‐2′‐Deoxycytidine Radical Cation
Authors: Bucher Dominik B. , Pilles Bert M. , Pfaffeneder Toni , Carell Thomas , Zinth Wolfgang
Published: January 2014

Methylated cytidine plays an important role as an epigenetic signal in gene regulation. Its oxidation products are assumed to be involved in active demethylation processes but also in damaging DNA. Here, we report the photochemical production of the 5‐methyl‐2′‐deoxycytidine radical cation via a two‐photon ionization process. The radical cation is detected by time‐resolved IR spectroscopy and identified by band assignment using density functional theory calculations. Two final oxidation products are characterized with liquid chromatography coupled to mass spectrometry.
Assembly of TiO2‐on‐Cu2O Nanocubes with Narrow‐Band Cu2O‐Induced Visible‐Light‐Enhanced Photocatalytic Activity
Authors: Liu Jiali , Wen Ming , Chen Hanxing , Li Jing , Wu Qing‐Sheng
Published: January 2014

Newly designed TiO2‐on‐Cu2O nanocubes have been constructed as visible‐light‐driven photocatalysts with high efficiency by means of a facile self‐assembly approach at room temperature. In the resultant TiO2‐on‐Cu2O nanocubes, the TiO2 nanoparticles with a diameter of 6–8 nm show a well‐monodispersed distribution of the 200–300 nm‐sized Cu2O single‐crystal nanocubes, which can form sub‐monolayer, monolayer, and multilayer coverage through controlling the ratio of the two phases. In particular, the coupling of the wide‐bandgap semiconductor TiO2 with narrow‐bandgap Cu2O can lead to the markedly enhanced high visible‐light photocatalytic activity in the TiO2‐on‐Cu2O nanocomposite systems toward the photodegradation of rhodamine B, which is induced by the bandgap‐adjusting effect. This promising self‐assembly route can be extended to the preparation of other nanocomposite materials.
A theorical point of view of reality, perception, and language
Authors: Nescolarde‐Selva Josué Antonio , Usó‐Doménech Josep‐Lluis , Gash Hugh
Published: January 2014

It is possible to view the relations between mathematics and natural language from different aspects. This relation between mathematics and language is not based on just one aspect. In this article, the authors address the role of the Subject facing Reality through language. Perception is defined and a mathematical theory of the perceptual field is proposed. The distinction between purely expressive language and purely informative language is considered false, because the subject is expressed in the communication of a message, and conversely, in purely expressive language, as in an exclamation, there is some information. To study the relation between language and reality, the function of ostensibility is defined and propositions are divided into ostensives and estimatives. © 2013 Wiley Periodicals, Inc. Complexity 20: 27–37, 2014
Kinetics and Mechanism of the Reaction of Hydrogen Sulfide with Cobalamin in Aqueous Solution
Authors: Salnikov Denis S. , Kucherenko Polina N. , Dereven'kov Ilia A. , Makarov Sergei V. , van Eldik Rudi
Published: January 2014

A detailed kinetic study of the reaction of aquacobalamin [H2OCbl(III)] with hydrogen sulfide in water at pH 1 to 10 was carried out using conventional spectrophotometric, stopped‐flow, and high‐pressure stopped‐flow techniques. The reaction proceeds in three steps: formation of the complex between aquacobalamin and hydrogen sulfide, inner‐sphere electron transfer, and addition of a second molecule of hydrogen sulfide to the reduced cobalamin. Kinetic parameters for the different reaction steps of the studied process were determined. The final products of the reaction between aquacobalamin and hydrogen sulfide were found to depend on pH. The main reaction product is five‐coordinate base‐on reduced cobalamin(II) [B12r, Cbl(II)] in alkaline medium and six‐coordinate cobalamin(II) with the anion‐radical SSH2– in acidic medium.
Tuning the Optical Properties of 1,1′‐Biphospholes by Chemical Alterations of the P–P Bridge
Authors: Arkhypchuk Anna I. , Orthaber Andreas , Ott Sascha
Published: January 2014

2,5‐Di(1‐naphthyl)‐1‐phenylphosphole (2) was prepared from phenylphosphine and dinaphthylbutadiyne in 70 % yield, and oxidized to its oxide 3. Treatment of 2 with a solution of potassium naphthalide results in selective formation of phospholide anion 4, which can be oxidized with iodine to afford biphosphole 5. The crystal structure of 5 exhibits an unusual s‐trans conformation across the P–P bridge that is most stabilized by π–π stacking of the naphthyl substituents. Biphosphole 5 can be oxidized to its mono‐oxidized 6 and dioxide 7. Generally, all phosphole oxidations lead to decreased pyramidalization of the P centres and, consequently, to significantly redshifted lowest‐energy absorption maxima. Mono‐oxidized biphosphole 6, which consists of an ordinary phosphole and an electron‐deficient oxidized phosphole, features a unique low‐energy optical transition (shoulder at 430 nm), which is tentatively assigned to a charge‐transfer transition. The UV/Vis spectrum of dioxide 7 lacks this transition. At the same time, the emission maximum of 7 is bathochromically shifted by 80 nm relative to that of 5.
Synthesis of 1,2,3‐Trisubstituted Indolizines, Pyrrolo[1,2‐a]quinolines, and Pyrrolo[2,1‐a]isoquinolines from 1,2‐Allenyl Ketones
Authors: Fan Xuesen , Wang Yuanyuan , He Yan , Guo Shenghai , Zhang Xinying
Published: January 2014

An efficient synthesis of substituted indolizine and its benzo derivatives, pyrrolo[1,2‐a]quinolines and pyrrolo[2,1‐a]isoquinolines, by the reaction of allenyl ketones with α‐bromo carbonyl compounds and pyridines (quinoline or isoquinoline) under mild conditions without an added oxidant other than molecular oxygen from air was developed. Notably, allenyl ketones with or without a substituent attached to the internal position of the allene moiety afforded indolizine derivatives with different substitution patterns.
Tin Microspheres Grown on Carbon Cloth as Binder‐Free Integrated Anode for High Capacity Lithium Storage
Authors: Song Weifeng , Hou Xiaojuan , Wang Xianfu , Liu Bin , Chen Di , Shen Guozhen
Published: January 2014

High quality Sn microspheres were successfully synthesized on carbon cloth by a one‐step chemical vapor deposition method. Used as a binder‐free anode material for lithium‐ion batteries, the three‐dimensional integrated anode based on as‐grown Sn microspheres on carbon cloth exhibited excellent performance for lithium storage with high capacity of more than 800 mAh g−1 even after 75 cycles, as well as good cycling stability and rate capability. The good electrochemical performance can be ascribed to the microsized spheres, which have the appropriate size and structural symmetry to counteract the force of lithium insertion/extraction process, as well as to the binder‐free integrated anode structure, which enhances the electrical conductivity and enlarges the available reaction surface. This simple strategy has the potential for large‐scale production of other electrode materials for high performances in lithium‐ion batteries.
Surgical planning after sleep versus awake techniques in patients with obstructive sleep apnea
Authors: Fernández‐Julián Enrique , García‐Pérez Miguel Ángel , García‐Callejo Javier , Ferrer Felipe , Martí Francisco , Marco Jaime
Published: January 2014

Objective/Hypothesis

This study examined correlations between surgical recommendations based on either drug‐induced sleep endoscopy (DISE) or common awake examination methods in patients with obstructive sleep apnea syndrome (OSAS).

Study Design

Prospective, blinded, clinical trial at a university hospital.

Methods

An otorhinolaryngologist designed surgical plans for patients with OSAS after clinical examination, lateral cephalometry, the Müller maneuver, and Friedman staging. A second otorhinolaryngologist blinded to the previous plans made surgical recommendations after DISE. A third person tested agreement between the two sets of plans using Cohen's kappa statistic and the chi‐squared test.

Results

One hundred and sixty‐two patients (15 females, 147 males) completed the protocol. Good correlation was observed between DISE and Friedman staging regarding recommendations for isolated oropharyngeal or multilevel surgery (kappa = 0.61). Correlations between DISE and clinical examination, lateral cephalometry, and the Müller maneuver regarding surgical procedures on specific structures contributing to upper airway obstruction ranged from fair for velum/tonsil surgery (k = 0.41–0.60) to poor (k = 0.01–0.20) for tongue‐base, lateral pharyngeal wall, and epiglottal surgery. The most informative value was DISE versus clinical evaluation, lateral cephalometry, and the Müller maneuver, which changed surgical recommendations concerning the structures contributing to hypopharyngeal or laryngeal obstruction in > 40% of patients.

Conclusions

Our results indicate that DISE provides more information about the anatomical locations and pattern of obstruction, particularly regarding the specific structures contributing to hypopharyngeal and laryngeal obstruction. DISE changes surgical decision making compared to awake evaluation methods.

Level of Evidence

4. Laryngoscope, 124:1970–1974, 2014
Multiple organ involvement by alpha‐synuclein pathology in Lewy body disorders
Authors: Gelpi Ellen , Navarro‐Otano Judith , Tolosa Eduardo , Gaig Carles , Compta Yaroslau , Rey María Jesús , Martí Maria José , Hernández Isabel , Valldeoriola Francesc , Reñé Ramon , Ribalta Teresa
Published: January 2014

Lewy body (LB) diseases are characterized by alpha‐synuclein (AS) aggregates in the central nervous system (CNS). Involvement of the peripheral autonomic nervous system (pANS) is increasingly recognized, although less studied. The aim of this study was to systematically analyze the distribution and severity of AS pathology in the CNS and pANS. Detailed postmortem histopathological study of brain and peripheral tissues from 28 brain bank donors (10 with Parkinson's disease [PD], 5 with dementia with LB [DLB], and 13 with non‐LB diseases including atypical parkinsonism and non‐LB dementia). AS aggregates were found in the pANS of all 15 LB disease cases (PD, DLB) in stellate and sympathetic ganglia (100%), vagus nerve (86.7%), gastrointestinal tract (86.7%), adrenal gland and/or surrounding fat (53.3%), heart (100%), and genitourinary tract (13.3%), as well as in 1 case of incidental Lewy body disease (iLBD). A craniocaudal gradient of AS burden in sympathetic chain and gastrointestinal tract was observed. DLB cases showed higher amounts of CNS AS aggregates than PD cases, but this was not the case in the pANS. No pANS AS aggregates were detected in Alzheimer's disease (AD) cases with or without CNS AS aggregates. All pathologically confirmed LB disease cases including 1 case of iLBD had AS aggregates in the pANS with a craniocaudal gradient of pathology burden in sympathetic chain and gastrointestinal tract. AS was not detected in the pANS of any AD case. These findings may help in the search of peripheral AS aggregates in vivo for the early diagnosis of PD. © 2014 International Parkinson and Movement Disorder Society
Oberflächen nach Maß
Authors: Ebeling Bastian , Ehlers Florian , Vana Philipp
Published: January 2014

Reversible Additions‐Fragmentierungs‐Kettentransferpolymerisationen besetzen Oberflächen von Werkstoffen oder Partikeln mit genau definierten Polymerketten. Die physikalischen und chemischen Eigenschaften der Oberfläche sind so gezielt zu kontrollieren.
Der Hochstapler, der die Wahrheit sagte
Authors: Sietz Henning
Published: January 2014

Seit Anfang der 1980er Jahre ist bekannt, dass Amerikaner und Briten schon seit Mai 1943 von der deutschen “Geheimwaffe” Tabun wussten. Doch die Alliierten hielten jenen deutschen Soldaten, der das Geheimnis verriet, für unglaubwürdig. Wer dieser bislang namenlose vermeintliche Chemiker war, ist jetzt bekannt.
Mit Molekülen schalten
Authors: Pischel Uwe , Schiller Alexander
Published: January 2014

Die Natur verarbeitet Information durch chemische Reaktionen. Die Verbindung von chemischen Sensoren und Logik als Universalkonzept eröffnet Perspektiven für molekulare Informationsverarbeitung — auch weitab von biochemisch komplexen Systemen.
Couch statt Hörsaal
Authors: Hoffmann Frank , Sartor Michael , Fröba Michael
Published: January 2014

Moocs — in den USA schon seit einiger Zeit populär — erreichen nun auch Europa. In den vergangenen zwei Jahren ist beim E‐Learning kein Format so gehypt worden. Die Bilanz als Mooc‐Produzenten lautet bisher: Jede Menge Arbeit, viele Herausforderungen, jede Menge Spaß.
Regulierung in Asien
Authors: Cleuvers Michael
Published: January 2014

Unterschiedliche Datenanforderungen erschweren den Export nach Asien. So müssen Lieferanten nach China, Korea und Japan mehr Daten als für EU‐Reach liefern oder bestimmte Tests jeweils vor Ort erneut durchführen.
Fault‐tolerant distributed load/frequency supervisory strategies for networked multi‐area microgrids
Authors: Tedesco Francesco , Casavola Alessandro
Published: January 2014

A distributed supervisory strategy for addressing load/frequency set‐point reconfiguration problems in networked multi‐area microgrid is presented. The aim is at finding a distributed coordination strategy able to reconfigure, whenever necessary in response to unexpected load changes and/or faults, the nominal set‐point on frequency and generated power to the generators of each area so that viable evolutions arise for the overall power system during transients and a new post‐fault sustainable equilibrium is reached. In order to demonstrate the effectiveness of the strategy, an example on a four‐area power system is presented. Copyright © 2014 John Wiley & Sons, Ltd.
Purely helical absolute equilibria and chirality of (magneto)fluid turbulence
Authors: Zhu Jian-Zhou , Yang Weihong , Zhu Guang-Yu
Published: January 2014

Purely helical absolute equilibria of incompressible neutral fluids and plasmas (electron, single-fluid and two-fluid magnetohydrodynamics) are systematically studied with the help of helical (wave) representation and truncation, for genericities and specificities about helicity. A unique chirality selection and amplification mechanism and relevant insights, such as the one-chiral-sector-dominated states, among others, about (magneto)fluid turbulence follow.
Prospective relevance of dietary patterns at the beginning and during the course of primary school to the development of body composition
Authors: Diethelm Katharina , Günther Anke L. B. , Schulze Matthias B. , Standl Marie , Heinrich Joachim , Buyken Anette E.
Published: January 2014

Primary school years seem to represent a critical period for the development of overweight and obesity. However, only a few studies have analysed the prospective relationship between dietary patterns and weight status in children. The aims of the present study were to identify dietary patterns at the beginning of and during the primary school period and to examine their relevance to the development of body composition. Nutritional and anthropometric data from 371 participants of the Dortmund Nutritional and Longitudinally Designed (DONALD) Study at the beginning (ages 6 and 7 years) and end (ages 10 and 11 years) of the primary school period were used. Principal component analyses (PCA) were conducted to identify dietary patterns, which were regressed on changes in BMI and fat mass index (FMI) between ages 6 and 7 years and ages 10 and 11 years. Reduced rank regression (RRR) was used to directly extract patterns explaining variation in changes in BMI and FMI between ages 6 and 7 years and ages 10 and 11 years. PCA yielded interpretable patterns of dietary changes at the beginning of and during the primary school period, which were not related to changes in body composition. Conversely, RRR allowed identifying predictive patterns: higher baseline intakes of white bread and lower baseline intakes of whole-grain products as well as increases in the consumption of savoury snacks, sausages and cheese during primary school years independently predicted increases in BMI and FMI during the primary school period. In conclusion, selection of unfavourable carbohydrate sources at the beginning of the primary school period and increases in the consumption of processed savoury foods during primary school years may adversely affect the development of body composition during the course of primary school.
Nationalist China's “Great Game”: Leveraging Foreign Explorers in Xinjiang, 1927–1935
Authors: Jacobs Justin M.
Published: January 2014

The expeditions of foreign explorers and archaeologists along China's borderlands during the late nineteenth and early twentieth centuries have long been a lightning rod for debates over cultural sovereignty, imperialism, and nationalism. This study attempts to move beyond such cultural and moral glosses by placing the expeditions of Aurel Stein and Sven Hedin to the northwestern province of Xinjiang back into the domestic geopolitical context of the Nanjing Decade (1927–37). Newly available archival material demonstrates how the discourse of cultural sovereignty, far from sabotaging such expeditions, instead became the handmaiden of domestic geopolitical competitors who attempted to turn Stein and Hedin into exploitable resources for their own agendas. The logistical pragmatism revealed in these sources relegates principled nationalist intellectuals and their imperialist targets to the background, and shows how a new approach to a familiar topic can help paint a fuller portrait of some of the most contested episodes of transnational cultural interactions throughout Eurasia.
Effect of feeding linseed oil in diets differing in forage to concentrate ratio: 2. Milk lactone profile
Authors: Saliba Leacady , Gervais Rachel , Lebeuf Yolaine , Vuillemard Jean-Christophe , Fortin Jacinthe , Chouinard P Yvan
Published: January 2014

Lactones are important contributors to the flavour and aroma of milk and dairy products. This study was conducted to evaluate the effects of dietary linseed oil (LO) and forage to concentrate ratio on milk lactone profile. Twenty four Holstein cows were used during a 4-week feeding trial in a randomised complete block design. Cows were fed diets containing 30% (LC) or 70% (HC) concentrate, and 0% (NLO) or 3% LO in a 2×2 factorial arrangement of treatments. Milk lactone profile was evaluated using the solid phase microextraction technique. The highest levels of δ-lactones (δ-6:0, δ-8:0, δ-10:0, and δ-12:0) were found with the LC/NLO diet. These concentrations were then decreased when cows received either a high level of concentrate or supplemental LO, but these effects were not additive (interaction of LO by concentrate, P<0·01). An interaction of LO by concentrate (P<0·01) was also noted on milk γ-12:0 for which the highest concentration was observed when supplementing LO in HC diet, while no effect was apparent when LO was added in LC diet. Moreover, feeding HC increased the level of γ-12:1 in milk as compared with LC, while LO had no effect on this γ-lactone. Finally, γ-12:2 was not detected in any of the milk samples studied. Organoleptic properties of milk were evaluated in a triangle test showing that a significant number of assessors perceived a difference between milk from cows fed LC/NLO as compared with milk from cows fed HC/LO. The sensory evaluation was completed by a ranking test where the intensities of fresh lactic, foreign and global flavours were not different between treatments. In conclusion, feeding LO in HC diet modified milk lactone profile with a shift toward more γ- and less δ-lactones as compared with LC diet not supplemented with LO. A difference was perceived in a triangle test between milk from these two treatments, but the sensory attributes responsible for this difference have not been identified in the current trial.