bluuebunny/crossref_metadata_2025 huggingface dataset:
Annulation of Alkynyl Aryl Ethers with Allyl Pivalates To Give 2,3‐Bismethylenechromanes through Double C−H Bond Cleavage
Authors: Minami Yasunori , Sakai Megumi , Anami Tomohiro , Hiyama Tamejiro
Published: July 2016

The treatment of silylethynyloxyarenes with allylic pivalates in the presence of a palladium catalyst led to efficient C−H bond cleavage in both substrates and a novel annulation reaction to give 2,3‐bismethylenechromanes. When ortho‐allylated silylethynyloxybenzenes were used as the substrates, the same products were obtained. This result shows that site‐selective intramolecular hydrovinylation is involved in the annulation reaction. The synthetic utility of the products was demonstrated by the construction of condensed polycycles.
Operando Synchrotron X‐ray Powder Diffraction and Modulated‐Excitation Infrared Spectroscopy Elucidate the CO2 Promotion on a Commercial Methanol Synthesis Catalyst
Authors: Martin Oliver , Mondelli Cecilia , Cervellino Antonio , Ferri Davide , Curulla‐Ferré Daniel , Pérez‐Ramírez Javier
Published: July 2016

Optimal amounts of CO2 are added to syngas to boost the methanol synthesis rate on Cu‐ZnO‐Al2O3 in the industrial process. The reason for CO2 promotion is not sufficiently understood at the particle level due to the catalyst complexity and the high demands of characterization under true reaction conditions. Herein, we applied operando synchrotron X‐ray powder diffraction and modulated‐excitation infrared spectroscopy on a commercial catalyst to gain insights into its morphology and surface chemistry. These studies unveiled that Cu and ZnO agglomerate and ZnO particles flatten under CO/H2 and/or CO2/H2. Under the optimal CO/CO2/H2 mixture, sintering is prevented and ZnO crystals adopt an elongated shape due to the minimal presence of the H2O byproduct, enhancing the water‐gas shift activity and thus the methanol production. Our results provide a rationale to the CO2 promotion emphasizing the importance of advanced analytical methods to establish structure–performance relations in heterogeneous catalysis.
Kinetic Resolution of 2H‐Azirines by Asymmetric Imine Amidation
Authors: Hu Haipeng , Liu Yangbin , Lin Lili , Zhang Yuheng , Liu Xiaohua , Feng Xiaoming
Published: July 2016

Highly efficient kinetic resolution of 2H‐azirines by an asymmetric imine amidation was achieved in the presence of a chiral N,N′‐dioxide/ScIII complex, thus providing a promising method to obtain the enantioenriched 2H‐azirine derivatives and protecting‐group free aziridines at the same time. It is rare to find an example of N1 of an oxindole participating in a reaction over C3. Moreover, chiral 2H‐azirines were stereospecifically transformed into an unprotected aziridine and α‐amino ketone.
Triiodide‐Mediated δ‐Amination of Secondary C−H Bonds
Authors: Wappes Ethan A. , Fosu Stacy C. , Chopko Trevor C. , Nagib David A.
Published: July 2016

The Cδ−H amination of unactivated, secondary C−H bonds to form a broad range of functionalized pyrrolidines has been developed by a triiodide (I3−)‐mediated strategy. By in situ 1) oxidation of sodium iodide and 2) sequestration of the transiently generated iodine (I2) as I3−, this approach precludes undesired I2‐mediated decomposition which can otherwise limit synthetic utility to only weak C(sp3)−H bonds. The mechanism of this triiodide‐mediated cyclization of unbiased, secondary C(sp3)−H bonds, by either thermal or photolytic initiation, is supported by NMR and UV/Vis data, as well as intercepted intermediates.
Ferrite nanoparticles supported on natural wool in one‐pot tandem oxidative reactions: strategy to synthesize benzimidazole, quinazolinone and quinoxaline derivatives
Authors: Shaabani Ahmad , Hezarkhani Zeinab
Published: July 2016

Two tandem oxidative two‐component reactions (O‐2CRs) and Ugi‐type three‐component reactions (OU‐3CRs) of aromatic hydrocarbons of petroleum naphtha have been investigated for the synthesis of 2‐phenyl‐1H‐benzo [d]imidazole, 2‐aryl‐4‐quinazolinone and 3,4‐dihydroquinoxalin‐2‐amine derivatives using six new biopolymer‐supported ferrite nanocatalysts: CoFe2O4@wool‐SO3H, MnFe2O4@wool‐SO3H, ZnFe2O4@wool‐SO3H, MnCoFe2O4@wool‐SO3H, ZnCoFe2O4@wool‐SO3H and CrCoFeO4@wool‐SO3H. The best results are obtained with the CrCoFeO4@wool‐SO3H catalyst. All of the catalysts were characterized using flame atomic absorption spectrometry, X‐ray diffraction, thermogravimetric analysis, scanning electron microscopy and energy‐dispersive spectroscopy. To the best of our knowledge, this approach can be considered as the first example of O‐2CRs and OU‐3CRs of aromatic hydrocarbons of petroleum naphtha with ferrite nanocatalysts, which would be very useful from a practical point of view. Copyright © 2016 John Wiley & Sons, Ltd.
Brief Report: CXCL10 Is a Possible Biomarker for the Development of Psoriatic Arthritis Among Patients With Psoriasis
Authors: Abji Fatima , Pollock Remy A. , Liang Kun , Chandran Vinod , Gladman Dafna D.
Published: July 2016

Objective

Biomarkers that can predict the development of psoriatic arthritis (PsA) in patients with psoriasis would be useful in clinical practice. The aim of this study was to assess whether CXCL10 could be a predictive biomarker of PsA prior to its onset.

Methods

Psoriasis patients without arthritis were followed up prospectively and assessed annually for development of PsA by a rheumatologist. Patients in whom PsA developed were designated as converters, while those in whom PsA did not develop were termed nonconverters. Baseline serum concentrations of CXCL10 were measured by Luminex assay in 46 converters and 45 nonconverters.

Results

The level of CXCL10 was significantly higher in converters (median 493 pg/ml [interquartile range (IQR) 356–984]) than in nonconverters (median 371 pg/ml [IQR 263–578]; P = 0.005). In contrast, C‐reactive protein (CRP) levels were not significantly different between converters and nonconverters at baseline. CXCL10 was associated with conversion status after adjustment for age, sex, duration of psoriasis, and duration of follow‐up (odds ratio 1.3, 95% confidence interval 1.1–1.5, P = 0.004). In a subset of converters, the CXCL10 level was significantly higher at baseline (median 927.4 pg/ml [IQR 547.6–1,243]) than after PsA diagnosis (491.5 pg/ml [IQR 323.2–607]; P < 0.0001), while CRP levels were lower at baseline (26.6 μg/ml [IQR 16.37–62.75]) than after PsA diagnosis (36.1 μg/ml [IQR 14.74–101.7]; P = 0.003). CXCL10 gene expression was increased 17.3‐fold in synovial fluid (SF) compared with blood from PsA patients (P = 0.01) and 44.3‐fold in the SF of PsA patients compared with the SF of patients with gout (P = 0.001).

Conclusion

CXCL10 may be involved in PsA pathogenesis and is a candidate predictive biomarker for PsA in patients with psoriasis.
A Phase IIb Study of ABT‐494, a Selective JAK‐1 Inhibitor, in Patients With Rheumatoid Arthritis and an Inadequate Response to Anti–Tumor Necrosis Factor Therapy
Authors: Kremer Joel M. , Emery Paul , Camp Heidi S. , Friedman Alan , Wang Li , Othman Ahmed A. , Khan Nasser , Pangan Aileen L. , Jungerwirth Steven , Keystone Edward C.
Published: July 2016

Objective

To compare the efficacy and safety of ABT‐494, a novel selective JAK‐1 inhibitor, with placebo in patients with moderate‐to‐severe rheumatoid arthritis (RA) and an inadequate response or intolerance to at least 1 anti–tumor necrosis factor (anti‐TNF) agent.

Methods

In this 12‐week, double‐blind, placebo‐controlled, dose‐ranging study, 276 RA patients receiving a stable dose of methotrexate (MTX) who had previously received treatment with at least 1 anti‐TNF agent were randomized equally to receive immediate‐release ABT‐494 at 3, 6, 12, or 18 mg twice daily or matching placebo twice daily. The primary end point was the proportion of patients meeting the American College of Rheumatology 20% improvement criteria (achieving an ACR20 response) at week 12.

Results

At week 12, significantly more patients receiving ABT‐494 (53–71%) than those receiving placebo (34%) achieved an ACR20 response (by nonresponder imputation analysis) (P < 0.05), with a dose‐response relationship among all ABT‐494 doses (P < 0.001). ACR50 and ACR70 response rates were significantly higher in those receiving ABT‐494 (36–42% and 22–26%, respectively) than in those receiving placebo (16% and 4%, respectively). Changes from baseline in the Disease Activity Score in 28 joints using the C‐reactive protein level (DAS28‐CRP) were significantly greater for all doses of ABT‐494 than for placebo (P ≤ 0.01). Onset of action of ABT‐494 was rapid, with significant differences from placebo at week 2 both in ACR20 response rate (for 12 and 18 mg) and in change in the DAS28‐CRP (P < 0.001 for 6–18 mg). The most frequent adverse events (AEs) were headache, nausea, upper respiratory tract infection, and urinary tract infection. Infection rates were higher at higher doses of ABT‐494, but no infections were serious. No deaths were reported among those receiving ABT‐494.

Conclusion

In patients with an inadequate response or intolerance to anti‐TNF agents, ABT‐494 added to MTX showed rapid, dose‐dependent improvements in RA signs and symptoms, with safety and tolerability similar to those of other drugs of this class. No new AEs were identified.
New Ruthenium Complexes Based on Tetradentate Bipyridine Ligands for Catalytic Hydrogenation of Esters
Authors: Wang Fangyuan , Tan Xuefeng , Lv Hui , Zhang Xumu
Published: July 2016

New bipyridinemethanamine‐containing tetradentate ligands and their corresponding ruthenium complexes have been synthesized. The synthesized complexes performed well in the hydrogenation of a variety of esters with high efficiency (TON up to 9700) giving alcohols in good yields.
Amino‐substituted para‐Benzoquinones as Potential Herbicides
Authors: Nain‐Perez Amalyn , Barbosa Luiz C. A. , Picanço Marcelo C. , Giberti Samuele , Forlani Giuseppe
Published: July 2016

Although quinones present a large array of biological activities, a few studies on the herbicidal potential of 2,5‐bis(alkyl/arylamino)‐1,4‐benzoquinones have been reported to date. In this work, starting from benzoquinone, 13 2,5‐bis(alkyl/arylamino)‐1,4‐benzoquinones were prepared in 46 – 93% yield. The products were fully characterized by spectroscopic analyses and their phytotoxicity against Cucumis sativus and Sorghum bicolor seedlings was investigated. At 100 ppm, compounds caused 10 – 88% growth inhibition of the dicotyledonous species, whereas the monocotyledon was less affected. Most compounds exerted little inhibitory effect on a cyanobacterial model strain. However, at 100 μm, compounds 8 – 10 caused about 50% inhibition of algal growth, and compounds 1 and 2 reduced cell viability in the 1 – 10 μm range. The ability of benzoquinone derivatives to interfere with the light‐driven ferricyanide reduction by isolated spinach chloroplasts was evaluated. Some substances showed a moderate effect as uncouplers, but no relationship was found between this property and their biological activity, indicating that the herbicidal effect is not associated with the inhibition of the photosynthetic electron transport chain. Phytotoxic compounds were not toxic to insects, strengthening the possibility that they may serve as lead for the development of eco‐friendly herbicides.
Absorption and Oxidation of Nitrogen Oxide in Ionic Liquids
Authors: Kunov‐Kruse Andreas J. , Thomassen Peter L. , Riisager Anders , Mossin Susanne , Fehrmann Rasmus
Published: July 2016

A new strategy for capturing nitrogen oxide, NO, from the gas phase is presented. Dilute NO gas is removed from the gas phase by ionic liquids under ambient conditions. The nitrate anion of the ionic liquid catalyzes the oxidation of NO to nitric acid by atmospheric oxygen in the presence of water. The nitric acid is absorbed in the ionic liquid up to approximately one mole HNO3 per mole of the ionic liquid due to the formation of hydrogen bonds. The nitric acid can be desorbed by heating, thereby regenerating the ionic liquid with excellent reproducibility. Here, time‐resolved in‐situ spectroscopic investigations of the reaction and products are presented. The procedure reveals a new vision for removing the pollutant NO by absorption into a non‐volatile liquid and converting it into a useful bulk chemical, that is, HNO3.
Modified Guanines as Constituents of Smart Ligands for Nucleic Acid Quadruplexes
Authors: Durec Matúš , Zaccaria Francesco , Fonseca Guerra Célia , Marek Radek
Published: July 2016

Repetitive guanine‐rich nucleic acid sequences play a crucial role in maintaining genome stability and the cell life cycle and represent potential targets for regulatory drugs. Recently, it has been demonstrated that guanine‐based ligands with a porphyrin core can be used as markers of G‐quadruplex assemblies in cell tissues. Herein, model systems of guanine‐based ligands are explored by DFT methods. The energies of formation of modified guanine tetrads and those of modified tetrads stacked on the top of natural guanine tetrads have been calculated. The interaction energy has been decomposed into contributions from hydrogen bonding, stacking, and ion coordination and a twist–rise potential energy scan has been performed to find the individual local minima. Energy decomposition analysis reveals the impact of various substituents (F, Cl, Br, I, Me, NMe2) on individual energy terms. In addition, cooperative reinforcement in forming the modified and stacked tetrads, as well as the frontier orbitals participating in the hydrogen‐bonding framework involving the HOMO–LUMO gap between the occupied σHOMO on the proton‐accepting C=O and =N− groups and unoccupied σLUMO on the N−H groups, has been studied. The investigated systems are demonstrated to have a potential in ligand development, mainly due to stacking enhancement compared with natural guanine, which is used as a reference.
Direct Structural Identification of Gas Induced Gate‐Opening Coupled with Commensurate Adsorption in a Microporous Metal–Organic Framework
Authors: Banerjee Debasis , Wang Hao , Plonka Anna M. , Emge Thomas J. , Parise John B. , Li Jing
Published: July 2016

Gate‐opening is a unique and interesting phenomenon commonly observed in flexible porous frameworks, where the pore characteristics and/or crystal structures change in response to external stimuli such as adding or removing guest molecules. For gate‐opening that is induced by gas adsorption, the pore‐opening pressure often varies for different adsorbate molecules and, thus, can be applied to selectively separate a gas mixture. The detailed understanding of this phenomenon is of fundamental importance to the design of industrially applicable gas‐selective sorbents, which remains under investigated due to the lack of direct structural evidence for such systems. We report a mechanistic study of gas‐induced gate‐opening process of a microporous metal–organic framework, [Mn(ina)2] (ina=isonicotinate) associated with commensurate adsorption, by a combination of several analytical techniques including single crystal X‐ray diffraction, in situ powder X‐ray diffraction coupled with differential scanning calorimetry (XRD‐DSC), and gas adsorption–desorption methods. Our study reveals that the pronounced and reversible gate opening/closing phenomena observed in [Mn(ina)2] are coupled with a structural transition that involves rotation of the organic linker molecules as a result of interaction of the framework with adsorbed gas molecules including carbon dioxide and propane. The onset pressure to open the gate correlates with the extent of such interaction.
Trangmolins A–F with an Unprecedented Structural Plasticity of the Rings A and B: New Insight into Limonoid Biosynthesis
Authors: Li Wanshan , Shen Li , Bruhn Torsten , Pedpradab Patchara , Wu Jun , Bringmann Gerhard
Published: July 2016

The absolute stereostructures of trangmolins A–F (1–6), limonoids with three new and one known topologies of the rings A and B, were unambiguously determined by NMR spectroscopic investigations, single‐crystal XRD analysis, and quantum‐chemical electronic circular dichroism calculations. Compounds 1–3 contain a hexahydro‐1H‐inden‐4‐one motif, compound 4 comprises a hexahydro‐2,6‐methanobenzofuran‐7‐one cage, and compound 5 consists of a hexahydro‐2H‐2,8‐epoxychromene scaffold. The C1−C30 linkage in 1–3 and the C3−C30 connection in 4 form two unprecedented types of ring A/B‐fused carbobicyclic cores: viii and ix. The oxidative cleavage of the C2−C3 bond in 5 and heterocyclization in 4 and 5 constitute the unprecedented tricyclic 6/6/5 ring A/B1/B2‐ and 6/5/6 ring A1A2/B‐fused topologies, respectively, which are uncovered, for the first time, in the construction of limonoid architectures. The diverse cyclization patterns of 1–6 reveal an unparalleled structural plasticity of rings A and B in limonoid biosynthesis.
Photosalient Effect of a Diarylethene with a Perfluorocyclohexene Ring
Authors: Hatano Eri , Morimoto Masakazu , Hyodo Kengo , Yasuda Nobuhiro , Yokojima Satoshi , Nakamura Shinichiro , Uchida Kingo
Published: July 2016

Crystals of a diarylethene with a perfluorocyclohexene ring exhibit a remarkable photosalient effect upon UV light irradiation that is attributed to the structural changes that occur when going from open‐ to closed‐ring isomers in the crystalline state, together with the existence of two conformers with different photoconversions compared with those of a perfluorocyclopentene derivative. Our current results give a design principle for molecular structures so as to achieve the photosalient effect for photochromic crystals.
ChemInform Abstract: Synthesis, Structural Study and Validation of a Layered Triple‐bis‐molybdate Ag0.6Na0.4Fe(MoO4)2 Related to Yavapaiite.
Authors: Souilem Amira , Zid Mohamed Faouzi
Published: July 2016

The title compound is prepared by solid state reaction of AgNO3, Na2CO3, (NH4)2Mo4O13, and FeNO3 in a molar ratio of 1:1:2:3, resp.
ChemInform Abstract: Investigation of Physical and Electrochemical Properties of β‐TaxNb1‐xPO5 as an Electrode Material for Lithium Batteries.
Authors: Lu Matthew Y. , Badway Fadwa , Kim Joshua R. , Amatucci Glenn G.
Published: July 2016

In order to improve the cycling stability of β‐NbPO5 due to the avoidance of lower voltage irreversible structural transitions, at least 5% Ta5+ is incorporated in β‐NbPO5.
ChemInform Abstract: Synthesis, Crystal Structure, Electrical Properties, and Sodium Transport Pathways of the New Arsenate Na4Co7(AsO4)6.
Authors: Ben Smida Youssef , Marzouki Riadh , Georges Samuel , Kutteh Ramzi , Avdeev Maxim , Guesmi Abderrahmen , Zid Mohamed Faouzi
Published: July 2016

Pink single crystals of the new title compound are prepared by solid state reaction of NaNO3, Co(NO3)2, and NH4H2AsO4 in a molar ratio of 2:1:2 (porcelain boat, 350 °C for 24 h and 750 °C for 3 d).
ChemInform Abstract: An Aromatic Ion Platform for Enantioselective Broensted Acid Catalysis.
Authors: Gheewala Chirag D. , Collins Bridget E. , Lambert Tristan H.
Published: July 2016

A novel chiral Broensted acid is prepared in one step from (‐)‐menthol and readily available pentacarbomethoxycyclopentadiene and utilized in both Mukaiyama—Mannich and oxocarbenium aldol reactions with high efficiency and enantioselectivity.
ChemInform Abstract: Visible‐Light‐Induced Alkoxyl Radical Generation Enables Selective C(sp3)—C(sp3) Bond Cleavage and Functionalizations.
Authors: Jia Kunfang , Zhang Fuyuan , Huang Hanchu , Chen Yiyun
Published: July 2016

The visible‐light‐induced alcohol oxidation generates alkoxyl radicals through cyclic iodine(III) reagent catalysis.
ChemInform Abstract: Amidation of 1,3‐Diarylallylic Compounds Catalyzed by 2,3‐Dichloro‐5,6‐dicyano‐1,4‐benzoquinone with Molecular Oxygen as the Terminal Oxidant.
Authors: Cheng Dongping , Zhou Xiayi , Yuan Kun , Yan Jizhong
Published: July 2016

Diarylpropenes undergo amidation reactions with carboxamides, sulfonamides, carbamates, and amination with anilines.
ChemInform Abstract: A Highly Stable but Highly Reactive Zinc Catalyst for Transesterification Supported by a Bis(imidazole) Ligand.
Authors: Nakatake Daiki , Yokote Yuki , Matsushima Yoshimasa , Yazaki Ryo , Ohshima Takashi
Published: July 2016

A highly stable bis(imidazole)/zinc catalyst for transesterification is developed.
ChemInform Abstract: The Barbier—Grignard‐Type Arylation of Ketones and Unexpected Cross‐Coupling of Phenolic Ketones Using Unactivated Aryl Bromides.
Authors: Wen Yunming , Chen Guifang , Huang Shiqiang , Tang Yu , Yang Jun , Zhang Yuanming
Published: July 2016

The Barbier—Grignard reaction of aryl bromides with cyclohexanone (I) and various alkyl and/or aryl ketones (IV) is achieved in the presence of a three‐component catalyst mixture.
ChemInform Abstract: Enantiospecific Alkynylation of Alkylboronic Esters.
Authors: Wang Yahui , Noble Adam , Myers Eddie L. , Aggarwal Varinder K.
Published: July 2016

Vinyl bromide (II) and carbamate (XIII) are applied as alkyne precursors in the enantioselective transformation of the title compounds to the corresponding terminal as well as internal alkynes.
ChemInform Abstract: From Umpolung to Alternation: Modified Reactivity of Donor—Acceptor Cyclopropanes Towards Nucleophiles in Reaction with Nitroalkanes.
Authors: Budynina Ekaterina M. , Ivanov Konstantin L. , Chagarovskiy Alexey O. , Rybakov Victor B. , Trushkov Igor V. , Melnikov Mikhail Ya.
Published: July 2016

The reaction between various aryl substituted donor‐acceptor cyclopropanes and nitromethane or ethane provides γ‐nitroesters which are used as substrates for oxopyrrolidinecarboxylates.
ChemInform Abstract: A Novel Acid‐Catalyzed Rearrangement of 2‐Substituted‐3‐(2‐nitrophenyl)oxiranes for the Synthesis of Di‐ and Mono‐Oxalamides.
Authors: Mamedov Vakhid A. , Mamedova Vera L. , Khikmatova Gul'nas Z. , Mironova Ekaterina V. , Krivolapov Dmitry B. , Bazanova Olga B. , Chachkov Denis V. , Katsyuba Sergey A. , Rizvanov Il'dar Kh. , Latypov Shamil K.
Published: July 2016

The novel rearrangement of oxirane carboxamide derivatives proceeds through an one‐pot three‐step cascade sequence involving the classical Meinwald rearrangement with the formation of ketone bearing an active α‐methylene group, a transformation of the carbonyl group to the carboxylic functionality and finally a migration of the active α‐methylene group to the nitrogen atom of the reduced nitro group.
ChemInform Abstract: Acid‐Promoted Bicyclization of Arylacetylenes to Benzobicyclo[3.2.1]octanes Through Cationic Rearrangements.
Authors: Su Xiang , Sun Yihua , Yao Jiannian , Chen Hui , Chen Chao
Published: July 2016

The TfOH‐mediated bicyclization of arylacetylenes (I) and (III) leads to desired benzobicyclo[3.2.1]octanes (II) and (IV) in moderate to high yields.
ChemInform Abstract: Sequential [3,3]‐Sigmatropic Rearrangement/Nucleophilic Arylation of N‐(Benzoyloxy)enamides Towards the Preparation of Cyclic β‐Aryl‐β‐amino Alcohols.
Authors: Sato Shohei , Takeda Norihiko , Ueda Masafumi , Miyata Okiko
Published: July 2016

Triarylaluminum and furyl/thienyl‐dimethylaluminum reagents are applied to construct the title compounds with high diastereoselectivities.
ChemInform Abstract: A Au(I)‐Precatalyst with a Cyclopropenium Counterion: An Unusual Ion Pair.
Authors: Mir Roya , Dudding Travis
Published: July 2016

A novel Au(I)‐complex salt with a cyclopropenium counterion is synthesized and it′s X‐ray crystal structure is determined.
ChemInform Abstract: Iron‐Catalyzed Sonogashira Type Cross‐Coupling Reaction of Aryl Iodides with Terminal Alkynes in Water under Aerobic Conditions.
Authors: Sindhu Kallikkakam S. , Thankachan Amrutha P. , Thomas Anns Maria , Anilkumar Gopinathan
Published: July 2016

A green protocol is presented for the iron catalyzed coupling reaction in water and under aerobic conditions.
ChemInform Abstract: Palladium Catalyzed Carboannulation of Nitrostyrenes with Internal Alkynes: A New Synthetic Strategy for Cross Coupling/C—H Annulation and Facile Access to Indenones.
Authors: Kashanna Jajula , Nagaraju Koppanathi , Kumara Swamy K. C.
Published: July 2016

2‐Iodonitrostyrenes and nitrostyrenes undergo a Pd‐catalyzed carboannulation with internal alkynes to form indenones.
ChemInform Abstract: Isocyanide‐Based Three Component Reaction for Synthesis of Highly Cyano Substituted Furan Derivatives.
Authors: Safaei Hamid Reza , Dehbozorgi Farbod
Published: July 2016

A clean, simple, and environmentally friendly one‐pot method (no solvent, no catalysts) to prepare 2‐phenyl‐2,3,3‐tricyano‐4‐aryl‐5‐alkylamino‐2,3‐dihydrofurans from benzoyl cyanide, arylidenemalonodinitriles, and alkyl isocyanides is presented.
ChemInform Abstract: Domino Synthesis of Tetrasubstituted Thiophenes from 1,3‐Enynes with Mercaptoacetaldehyde.
Authors: Bharathiraja Ganesan , Sathishkannan Gopal , Punniyamurthy Tharmalingam
Published: July 2016

The reaction proceeds via a Michael addition, 5‐exo‐dig carboannulation, and oxidation sequence.
ChemInform Abstract: I2‐Mediated Regioselective C‐3 Azidation of Indoles.
Authors: Prasad Pragati K. , Kalshetti Rupali G. , Reddi Rambabu N. , Kamble Sanjay P. , Sudalai Arumugam
Published: July 2016

An efficient, highly regioselective azidation of indoles is presented to give 3‐azidoindoles under metal‐free conditions at room temperature.
ChemInform Abstract: Copper(I) Oxide‐Mediated Cyclization of o‐Haloaryl N‐Tosylhydrazones: Efficient Synthesis of Indazoles.
Authors: Tang Meng , Kong Yuanfang , Chu Bingjie , Feng Dan
Published: July 2016

The synthesis of indazoles from E/Z‐mixtures of o‐haloraryl‐N‐sulfonylhydrazones is reported.
ChemInform Abstract: Tandem gem‐Dichlorination and Nitrile Oxide Generation from Chlorochromene Aldoximes: Synthesis of a New Class of Room Temperature Fluxional 4‐Chromanone Derivatives.
Authors: Dash Ashutosh K. , Jaladanki Chaitanya K. , Maiti Dilip K. , Singh Deepika , Tripathi Anil K. , Gupta Vivek K. , Bharatam Prasad V. , Mukherjee Debaraj
Published: July 2016

N‐Chlorosuccinimide is used for the geminal dichlorination which proceeds in a tandem one‐pot approach together with a cyclization with terminal alkynes or alkenes to give dichlorochromanone isoxazole and isoxazoline derivatives.
ChemInform Abstract: Choline Chloride and Itaconic Acid‐Based Deep Eutectic Solvent as an Efficient and Reusable Medium for the Preparation of 13‐Aryl‐5H‐dibenzo[b,i]xanthene‐5,7,12,14(13H)‐tetraones.
Authors: Liu Peng , Hao Jian‐Wu , Liang Shao‐Juan , Liang Guang‐Li , Wang Jin‐Yu , Zhang Zhan‐Hui
Published: July 2016

The title compounds are prepared by metal‐free condensation of hydroxynaphthalenedione with various aromatic aldehydes using choline chloride/itaconic acid as efficient catalyst and reaction medium.
ChemInform Abstract: Transition Metal‐Free Homocoupling of Unactivated Electron‐Deficient Azaarenes.
Authors: Xie Wen‐Wen , Liu Yue , Yuan Rui , Zhao Dan , Yu Tian‐Zhi , Zhang Jian , Da Chao‐Shan
Published: July 2016

A first direct homocoupling of electron‐deficient azaarenes is achieved in the presence of 2,2,6,6‐tetramethylpiperidinylmagnesium chloride and TMEDA.
ChemInform Abstract: Introduction of a Novel Nanosized N‐Sulfonated Broensted Acidic Catalyst for the Promotion of the Synthesis of Polyhydroquinoline Derivatives via Hantzsch Condensation under Solvent‐Free Conditions.
Authors: Goli‐Jolodar Omid , Shirini Farhad , Seddighi Mohadeseh
Published: July 2016

The applied catalyst can be reused several times and provides various advantages, such as nano size, high polarity, and simplicity in the preparation procedure.
ChemInform Abstract: Remote C—H Activation of Quinolines Through Copper‐Catalyzed Radical Cross‐Coupling.
Authors: Xu Jun , Shen Chao , Zhu Xiaolei , Zhang Pengfei , Ajitha Manjaly J. , Huang Kuo‐Wei , An Zhongfu , Liu Xiaogang
Published: July 2016

Various N‐aryloyl or N‐alkyl protected 8‐aminoquinolines are efficiently sulfonylated in position 5 using a broad range of aryl or hetaryl sulfonyl chlorides.
ChemInform Abstract: Synthesis and Fluorosolvatochromism of 3‐Arylnaphtho[1,2‐b]quinolizinium Derivatives.
Authors: Pithan Phil M , Decker David , Sardo Manlio Sutero , Viola Giampietro , Ihmels Heiko
Published: July 2016

The title quinolizinium derivatives (III), obtained by a simple Suzuki—Miyaura coupling reaction, exhibit pronounced fluorosolvatochromic properties.
ChemInform Abstract: Enantioselective Synthesis of Tetrahydroindolizines via Ruthenium‐Chiral Phosphoric Acid Sequential Catalysis.
Authors: Zhou Yong , Liu Xiao‐Wei , Gu Qing , You Shu‐Li
Published: July 2016

A chiral BINOL‐derived phosphoric acid ligand and Ru complex Zhan‐1B catalyze sequential olefin cross‐metathesis and asymmetric intramolecular Friedel‐Crafts alkylation reactions in modest to good yields with good enantioselectivities.
ChemInform Abstract: A Novel and Efficient Strategy Involving a CuI Catalyzed Cascade Reaction to Synthesize Acenaphtho[1,2‐b]quinoline Derivatives.
Authors: Yang Hong‐Kun , Tong Yuan‐Feng , Wu Song
Published: July 2016

The title compounds are synthesized from 8‐substituted phenylethynyl‐1‐naphthaldehydes and substituted anilines.
ChemInform Abstract: Oxidative Rearrangement via in situ Generated N‐Chloroamine: Synthesis of Fused Tetrahydroisoquinolines.
Authors: Murai Kenichi , Matsuura Kei , Aoyama Hiroshi , Fujioka Hiromichi
Published: July 2016

A series of spiro‐tetrahydroisoquinoline substrates is transformed to the heterocyclic title scaffold via N‐chloroamines, generated in situ (mechanism).
ChemInform Abstract: An Efficient One‐Pot Synthesis of 2‐Amino‐1,3,4‐selenadiazoles.
Authors: Li Xue , Gan Bin , Xie Tinghui , Yang Ping , Xie Yuanyuan
Published: July 2016

The title compounds are prepared by efficient one‐pot, three‐component reaction of various isoselenocyanates, hydrazine hydrate, and aromatic aldehydes.
ChemInform Abstract: Microwave‐Assisted One‐Pot Synthesis of Steroid—Quinoline Hybrids and an Evaluation of Their Antiproliferative Activities on Gynecological Cancer Cell Lines.
Authors: Baji Adam , Gyovai Andras , Woelfling Janos , Minorics Renata , Ocsovszki Imre , Zupko Istvan , Frank Eva
Published: July 2016

The title hybrids are efficiently prepared in one‐pot from the corresponding β‐chlorovinyl aldehydes with different arylamines under microwave irradiation without catalyst.
ChemInform Abstract: Synthesis of Catalytic Materials in Flames: Opportunities and Challenges
Authors: Koirala Rajesh , Pratsinis Sotiris E. , Baiker Alfons
Published: July 2016

Review: crucial factors for the synthesis of catalytic materials and control of chemical, physical and catalytic properties; 55 refs.
ChemInform Abstract: Synthesis, Characterization, and Catalytic Evaluation of Hierarchical Faujasite Zeolites: Milestones, Challenges, and Future Directions
Authors: Verboekend D. , Nuttens N. , Locus R. , Van Aelst J. , Verolme P. , Groen J. C. , Perez‐Ramirez J. , Sels B. F.
Published: July 2016

Review: 111 refs.
ChemInform Abstract: Sol—Gel Synthesis of Monolithic Materials with Hierarchical Porosity
Authors: Feinle Andrea , Elsaesser Michael S. , Huesing Nicola
Published: July 2016

Review: 151 refs.
ChemInform Abstract: Influence of Guest Molecules on the Crystal Lattice Structure and Porous Structure Characteristics of Coordination Polymers
Authors: Kolotilov S. V.
Published: July 2016

Review: 30 refs.
ChemInform Abstract: Counting on Natural Products for Drug Design
Authors: Rodrigues Tiago , Reker Daniel , Schneider Petra , Schneider Gisbert
Published: July 2016

Review: [141 refs.
ChemInform Abstract: Lanthanide‐Directed Synthesis of Luminescent Self‐Assembly Supramolecular Structures and Mechanically Bonded Systems from Acyclic Coordinating Organic Ligands
Authors: Barry Dawn E. , Caffrey David F. , Gunnlaugsson Thorfinnur
Published: July 2016

Review: 232 refs.
ChemInform Abstract: Oxime Ethers as Useful Synthons in the Synthesis of a Number of Key Medicinal Heteroaromatic Compounds
Authors: Vessally Esmail , Abdoli Morteza
Published: July 2016

Review: 135 refs.
ChemInform Abstract: A Triple Crown of Sustainable Synthesis
Authors: Chang Christopher J.
Published: July 2016

Review: 5 refs.
ChemInform Abstract: High‐Efficiency Flexible Solar Cells Based on Organometal Halide Perovskites
Authors: Wang Yuming , Bai Sai , Cheng Lu , Wang Nana , Wang Jianpu , Gao Feng , Huang Wei
Published: July 2016

Review: 73 refs.
ChemInform Abstract: Computational Approaches for Simulating Motional EPR Spectra
Authors: Oganesyan Vasity S.
Published: July 2016

Review: 130 refs.
Evaluation of Electron Donation as a Mechanism for the Stabilisation of Chalcogenate‐Protected Gold Nanoclusters
Authors: Segala Maximiliano , Schneider Felipe S. S. , Caramori Giovanni F. , Parreira Renato L. T.
Published: July 2016

Models based on Au(111) face have been extensively used to describe self‐assembled monolayers, as well nanoparticles and nanoclusters. However, for very small clusters (<2 nm), the chemisorption of ligands leads to surface reconstruction, making necessary the use of a more reliable model that is able to simulate the main electronic and geometrical features of these small systems. In this work, a simple model to describe the geometries and the metal–ligand bonding in chalcogenate‐protected gold nanoclusters is proposed. Three different models with Aun+ and [XCH3]− (n=10, 15, 19, 22 and X=S, Se, Te) are used in this work. The obtained structures are in close agreement not only with the available crystallographic data, but also with much more expensive computational procedures, confirming that the proposed models are robust enough to describe the metal–ligand bonding. The results reveal that the Au–X distances are dependent on both the nature of the chalcogen and the coordination mode. The shortest Au–X distances are observed in the face‐centred cubic mode, indicating that the central gold atom seems to play a role in determining the adsorption strength. The proposed models show unambiguously chalcogen→cluster σ‐donation, as supported by energy decomposition analysis coupled with the natural orbitals for chemical valence and natural bond orbital analyses. In all cases, the metal–ligand interactions are characterised as being more covalent than electrostatic.
Breeding in a den of thieves: pros and cons of nesting close to egg predators
Authors: de Fouw Jimmy , Bom Roeland A. , Klaassen Raymond H. G. , Müskens Gerard J. D. M. , de Vries Peter P. , Popov Igor Yu. , Kokorev Yakov I. , Ebbinge Barwolt S. , Nolet Bart A.
Published: July 2016

Breeding success of many Arctic‐breeding bird populations varies with lemming cycles due to prey switching behavior of generalist predators. Several bird species breed on islands to escape from generalist predators like Arctic foxVulpes lagopus, but little is known about how these species interact. We studied brent geeseBranta bernicla berniclathat share islands with gulls (Larusspec.) in Taimyr, Siberia (Russia). On one hand, gulls are egg predators, which occasionally steal an egg when incubating geese leave the nest for foraging bouts. On the other hand, gulls import marine resources to the islands, enriching the soil with their guano. We considered three hypotheses regarding clutch size of brent geese after partial nest predation. According to the “predator proximity hypothesis”, clutch size is expected to be smallest close to gulls, because of enhanced predator exposure. Conversely, clutch size is expected to be largest close to gulls, because of the supposedly better feeding conditions close to gulls, which might reduce nest recess times of geese and hence egg predation risk (“guano hypothesis”). Furthermore, gulls may defend their nesting territory, and thus nearby goose nests might benefit from this protection against other gulls (“nest association hypothesis”). We mapped goose and gull nests toward the end of the goose incubation period. In accordance with the latter two hypotheses, goose clutch size decreased with distance to the nearest gull nest in all but the lemming peak year. In the lemming peak year, clutch size was consistently high, indicating that partial nest predation was nearly absent. By mapping food quantity and quality, we found that nitrogen availability was indeed higher closer to gull nests, reflecting guanofication. Unlike predicted by the nest association hypothesis, a predation pressure experiment revealed that egg predation rate decreased with distance to the focal gull nests. We therefore propose that higher food availability close to gulls enables female geese to reduce nest recess time, limiting egg predation by gulls.
Modeling of the Reduction of Hematite in the Chemical Looping Combustion of Methane using Barracuda
Authors: Breault Ronald W. , Monazam Esmail R.
Published: July 2016

Chemical looping combustion is a promising technology for the capture of CO2, which involves the reduction and oxidation of materials known as oxygen carriers. One particular carrier is hematite as it is readily available, relatively inexpensive, and nontoxic. We present a new particle model and reaction kinetics that can be applied to Barracuda simulations of the fuel reactor. This was performed as Barracuda does not allow for the Johnson–Mehl–Avrami (JMA) (nucleation and growth)‐type kinetics that were developed from the results of an analytical study, thermogravimetric analysis, and fixed‐bed experiments. We summarize the analytical analysis of the fixed‐bed reduction experiments conducted in a cycling fixed‐bed reactor and subsequently modeled with Barracuda computational fluid dynamics software to develop the new model. The experiments were conducted using 1000 g of hematite material. The cyclic processing began with the reduction step then proceeded to the oxidation step, and this analysis was repeated for several cycles (5–10). The effect of fuel partial pressure (8.4, 7.2, and 5 mol %) on the conversion was investigated. The JMA analysis assumed that the reactions occurred in the shell that surrounds the particle grains with the diffusion of oxygen to the grain surface from the core. In contrast, working with the particle kinetics allowed in Barracuda, the reactions occur with different hematite species (surface and core) mixed homogeneously. Therefore, it is necessary to develop a new particle model in which the rates are related to the amount of reactant (surface or core) in the particle. We present the development of such a particle model and compare the results with experimental values.
Fuel Cell Lifespan Optimization by Developing a Power Switch Fault‐Tolerant Control in a Floating Interleaved Boost Converter
Authors: Guilbert D. , N'Diaye A. , Luberda P. , Djerdir A.
Published: July 2016

In recent years, fault tolerance has gained a growing interest from the scientific community, particularly in DC/DC converters. Generally, fault‐tolerance refers to a fault‐tolerant topology and/or control for power converters. In this paper, a floating interleaved boost converter (FIBC) is used in order to meet the fuel cell requirements, particularly in terms of input current ripple reduction and reliability. In DC/DC converters, power switches are ranked as the most fragile components. The most common failures in power switches are open‐circuit faults (OCFs), gating faults and short‐circuit faults (SCFs). The loss of one leg in case of OCF or SCF (considering that the faulty leg is isolated before damaging the system) leads up to the drastic increase of the fuel cell current ripple and consequently fuel cell lifespan reduction. The purpose of this paper is to present a fast and efficient power switch open‐circuit fault detection algorithm and fault‐tolerant control (FTC). The performances of the developed fault detection algorithm and FTC are validated by carrying out experimental tests between a proton exchange membrane fuel cell and a FIBC topology. The experimental results demonstrate the ability of the developed FTC to reduce drastically the fuel cell current ripple while improving the fuel cell lifespan.
Key Role of Desert–Oasis Transitional Area in Avoiding Oasis Land Degradation from Aeolian Desertification in Dunhuang, Northwest China
Authors: Zhang Kecun , An Zhishan , Cai Diwen , Guo Zichen , Xiao Jianhua
Published: July 2016

The survival of oasis is partially determined by the evolution of desert–oasis transitional area (abbr. DOTA) characterized by fragile and unstable environments. This study reveals the function of DOTA in avoiding oasis land degradation from its aeolian environments based on the detailed wind data, in situ observation of wind‐blown sand and granular characteristics of surface sediments from desert to oasis. Results indicate that the DOTA has buffering function in slowing down aeolian desertification in oasis. Additionally, the annual mean wind speed reduces 40·8% from desert to DOTA area but up to 92·8% from desert to oasis. The frequency of sand‐laden wind, drift potential and sand transport all decrease following the section from desert to oasis while surface roughness increases. And the granular characteristics of surface sediments show that the weight percentage of coarse sand decreases but fine sand increases along the section from desert to oasis. This paper reveals that the aeolian environments are of great difference between desert and DOTA and the significant role of DOTA in protecting oasis. Integrated sand control system needs to be settled in the DOTA to strengthen its buffering function. Copyright © 2016 John Wiley & Sons, Ltd.
A Functional Parkinsonian Tremor in a Pediatric Patient
Authors: Sanchez Abraham Marina , Gomez Arevalo Gonzalo J. , Garcia Silvia S. , Gershanik Oscar S.
Published: July 2016

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Static effective characteristics in piezoelectric composite materials
Authors: Rodríguez‐Ramos Reinaldo , Gandarilla‐Pérez Carlos A. , Otero‐Hernández Jose A.
Published: July 2016

An analysis of the static behavior using the self‐consistent effective medium method for a composite with randomly aligned spheroidal inclusions embedded in a matrix is studied. The constituents of which may have piezoelectric properties. Based on the self‐consistent method proposed by F.J. Sabina and V. Levin an analysis of the static overall properties is developed for piezoelectric composites. The electroelastic Green's functions by Willis's approach is developed and the spheroidal shape inclusion is studied with the help of it. In that sense, the influence of various geometrical forms of the inclusions is analyzed. Comparisons with other self‐consistent methods, finite element calculations, two scale asymptotic homogenization method and with experimental data show good results. Copyright © 2016 John Wiley & Sons, Ltd.
Preparation and characterization of nanocomposites made from chemoenzymatically prepared polyester urethanes and functionalized multiwalled carbon nanotubes
Authors: Antolín‐Cerón V.H. , Barrera‐Rivera K.A. , Fuentes‐García M.A. , Nuño‐Donlucas S.M. , Martinez‐Richa A.
Published: July 2016

Multiwalled carbon nanotubes (MWNTs) were functionalized with four different functional groups and used as nanofillers to reinforce biodegradable polyurethanes (PU), in an effort to explore their effect on the thermal and mechanical properties of the obtained nanocomposites. The PU were synthesized via one step process, by the reaction between a αω‐telechelic polyester diol (obtained by biocatalysis from ε‐caprolactone and diethylene glycol), and hexamethylene diisocyanate. The MWNTs were synthesized via a chemical vapor deposition process using ethanol as a carbon source. Functionalization with (i) hydroxyl and carboxyl groups OH‐COOH; (ii) aliphatic amine: ethylene diamine; (iii) aromatic amine: 4‐amine benzoic acid (4AB); or (iv) aromatic amine and carboxyl acid: 4‐amine benzoic acid, hidroxyl, and carboxyl groups (4AB‐OH‐COOH) were achieved. Nanocomposites were obtained by adding functionalized CNTs during the polymerization reaction between αω‐telechelic diol and the isocyanate. Three different percentages of functionalized CNTs were tried: (a) 0.25; (b) 0.5; or (c) 1%wt. The structural, morphological, and mechanical features of MWNTs/PU nanocomposites were studied by FT‐IR, differential scanning calorimetry, field emission scanning electron microscopy, TGA, wide angle X‐ray diffraction, solid‐state NMR, and mechanical properties. A better interfacial adhesion was observed for nanocomposites containing 0.5% wt of filler, compared to the neat PU. POLYM. COMPOS., 39:E697–E709, 2018. © 2016 Society of Plastics Engineers
Mitochondria‐Targeting Magnetic Composite Nanoparticles for Enhanced Phototherapy of Cancer
Authors: Guo Ranran , Peng Haibao , Tian Ye , Shen Shun , Yang Wuli
Published: July 2016

Photothermal therapy (PTT) and photodynamic therapy (PDT) are promising cancer treatment modalities in current days while the high laser power density demand and low tumor accumulation are key obstacles that have greatly restricted their development. Here, magnetic composite nanoparticles for dual‐modal PTT and PDT which have realized enhanced cancer therapeutic effect by mitochondria‐targeting are reported. Integrating PTT agent and photosensitizer together, the composite nanoparticles are able to generate heat and reactive oxygen species (ROS) simultaneously upon near infrared (NIR) laser irradiation. After surface modification of targeting ligands, the composite nanoparticles can be selectively delivered to the mitochondria, which amplify the cancer cell apoptosis induced by hyperthermia and the cytotoxic ROS. In this way, better photo therapeutic effects and much higher cytotoxicity are achieved by utilizing the composite nanoparticles than that treated with the same nanoparticles missing mitochondrial targeting unit at a low laser power density. Guided by NIR fluorescence imaging and magnetic resonance imaging, then these results are confirmed in a humanized orthotropic lung cancer model. The composite nanoparticles demonstrate high tumor accumulation and excellent tumor regression with minimal side effect upon NIR laser exposure. Therefore, the mitochondria‐targeting composite nanoparticles are expected to be an effective phototherapeutic platform in oncotherapy.
Effect of Perioperative Dexamethasone and Different NSAIDs on Anastomotic Leak Risk: A Propensity Score Analysis
Authors: Rushfeldt Christian Fredrik , Agledahl Uwe Conrad , Sveinbjørnsson Baldur , Søreide Kjetil , Wilsgaard Tom
Published: July 2016

Background

Perioperative use of nonsteroidal anti‐inflammatory drugs (NSAIDs) is associated with risk of anastomotic leak (AL). However, concomitant use of other drugs could infer a bias in risk assessment. Thus, we aimed to interrogate the risk of AL associated with NSAIDs and steroids used perioperatively.

Methods

This study includes a consecutive series of patients having surgery involving an intestinal anastomosis from Jan 2007 to Dec 2009. Data records included demographic, perioperative, and surgical characteristics; AL rates; and use of NSAIDs and steroids. Risk of leak were estimated using unadjusted and multivariable (propensity score)‐adjusted logistic regression models and reported as odds ratios (ORs).

Results

A total of 376 patients underwent 428 operations of which 67 (15.7 %) had AL. With no medication receivers as reference, the OR for leak when adjusted for age, sex, and propensity score was 1.07 (p = 0.92) for ketorolac, 1.63 (p = 0.31) for diclofenac and 0.41 (p = 0.19) for dexamethasone. Risk was increased for malignancy (OR 1.88, p = 0.023), use of a vasopressor (OR 2.52, p = 0.007), blood transfusions (OR 1.93, p = 0.026), and regular use of steroids (OR 7.57, p = 0.009).

Conclusions

Other factors than perioperative drugs are crucial for risk of AL. Perioperative dexamethasone was associated with a nonsignificant reduced risk of AL.