bluuebunny/crossref_metadata_2025 huggingface dataset:
Measuring the Universe with Gamma–Ray Bursts: status, perspectives and SKA contribution
Authors: Amati Lorenzo
Published: July 2014

Despite they are not standard candles, the investigation of Gamma–Ray Bursts (GRBs) as a tool for measuring the geometry and expansion rate of the Universe is strongly motivated by their unique combination of huge luminosity, up to more than 1053 erg/s, with a redshift distribution extending up to more than z = 8. In the recent years, several attempts to exploit the correlation between the photon energy at which the spectrum peaks (“peak energy”) and the “intensity” (radiated energy or luminosity) for “standardizing” GRBs and using them to estimate cosmological parameters have been made. These studies show that already with the present data–set GRBs can provide a significant and independent estimate of ΩM = 0.29 for a flat ΛCDM universe and that the measurements expected from present and next GRB experiments (e.g. Swift, Fermi/GBM, SVOM, UFFO) will allow us to get clues on dark energy properties and evolution. Under this respect, the study of GRBs will contribute significantly to some of the SKA main science goals, through the characterization by SKA of their radio emission with unprecedented sensitivity and by using the results of GRB measurements at other wavelengths to complement SKA key science project observations of other astrophysical sources.
Optoelectromechanical transducer: Reversible conversion between microwave and optical photons
Authors: Tian Lin
Published: July 2014

Quantum states encoded in microwave photons or qubits can be effectively manipulated, whereas optical photons can be coherently transferred via optical fibre and waveguide. The reversible conversion of quantum states between microwave and optical photons will hence enable the distribution of quantum information over long distance and significantly improve the scalability of hybrid quantum systems. Owning to technological advances, mechanical resonators couple to quantum devices in distinctly different spectral range with tunable coupling, and can serve as a powerful interface to connect those devices. In this review, recent theory and experimental progress in the coherent conversion between microwave and optical fields via optoelectromechanical transducers are summarized. The challenges and perspectives in achieving single‐photon‐level quantum state conversion are also discussed.
Spielt die Zeolithkatalyse in Bioraffinerien der Zukunft eine ähnlich große Rolle wie in der Erdölraffination?
Authors: Jacobs Pierre A. , Dusselier Michiel , Sels Bert F.
Published: July 2014

Der Übergang von der Erdöl‐ zu einer Biomasse‐basierten Kraftstoffökonomie wird neue Strategien zur Umwandlung von Rohstoffen erfordern. Bei einem petrochemischen Raffinationsverfahren werden die Kohlenwasserstoffe der Rohölfraktionen katalytisch zu hochwertigen Kraftstoffen umgesetzt. Besonders gut eignen sich dafür bestimmte Zeolithkatalysatoren. Im Unterschied zum Erdöl weist Biomasse einen hohen Sauerstoffgehalt auf, was Prozesse bei niedrigeren Temperaturen und im wässrigen Medium erfordert. Zeolithkatalysatoren müssen daher in flüssigem heißem Wasser stabil sein. Wie wir in diesem Essay zeigen, ist es mittlerweile möglich, Zeolithe gezielt für die selektive Umwandlung von Biomassefraktionen anzupassen.
Ribose‐Protonated DNA Base Excision Repair: A Combined Theoretical and Experimental Study
Authors: Sadeghian Keyarash , Flaig Denis , Blank Iris D. , Schneider Sabine , Strasser Ralf , Stathis Dimitrios , Winnacker Malte , Carell Thomas , Ochsenfeld Christian
Published: July 2014

Living organisms protect the genome against external influences by recognizing and repairing damaged DNA. A common source of gene mutation is the oxidized guanine, which undergoes base excision repair through cleavage of the glycosidic bond between the ribose and the nucleobase of the lesion. We unravel the repair mechanism utilized by bacterial glycosylase, MutM, using quantum‐chemical calculations involving more than 1000 atoms of the catalytic site. In contrast to the base‐protonated pathway currently favored in the literature, we show that the initial protonation of the lesion’s ribose paves the way for an almost barrier‐free glycosidic cleavage. The combination of theoretical and experimental data provides further insight into the selectivity and discrimination of MutM’s binding site toward various substrates.
Synthesis, characterization, molecular modelling and biological activity of 2‐(pyridin‐1‐ium‐1‐yl) acetate and its Cu2+, Pt4+, Pd2+, Au3+ and Nd3+ complexes
Authors: Mlahi Mosaad R. , Negm Amr , Azhari Shaker J. , Mostafa Mohsen M.
Published: July 2014

A new series of Cu2+, Pt4+, Pd2+, Au3+ and Nd3+ complexes derived from 2‐(pyridin‐1‐ium‐1‐yl) acetate have been synthesized and characterized using elemental analyses, spectral (infrared (IR), UV–visible, mass, 13C NMR and 1H NMR), magnetic and thermal measurements. IR results suggest that the ligand acts in a neutral monodentate fashion in all complexes. Octahedral geometry is proposed for Cu2+ and Pt4+ complexes and square‐planar for Pd2+ and Au3+ complexes. The bond lengths, bond angles, and HOMO and LUMO were calculated. Superoxide dismutase‐like radical scavenger activity and cytotoxic activity of the isolated complexes on HepG2 liver cancer cells have been screened. Ligand and complexes (Pt4+ and Nd3+) exhibit potent antioxidant activity upon coordination while Cu2+ and Au3+ complexes do not show superoxide dismutase‐like radical scavenger activity. The cytotoxic activity assay against HepG2 cell line proves that the ligand and its Pt4+ complex have a high cytotoxic activity, while the other complexes showed no cytotoxic activity. Copyright © 2014 John Wiley & Sons, Ltd.
Therapeutic Effect of Human Adipose‐Derived Stromal Cells Cluster in Rat Hind‐Limb Ischemia
Authors: Park In‐Su , Kang Jo A. , Kang Jungmi , Rhie Jong‐Won , Kim Sang‐Heon
Published: July 2014

We investigated whether transplantation of three‐dimensional cell masses (3DCM) of human adipose‐derived stromal cells (hASCs) cultured on a basic fibroblast growth factor‐immobilized substrate improved hind limb functional recovery by stimulating angiogenesis in an immune‐competent rat ischemic limb model. In vitro experiments confirmed that cells within 3DCMs differentiate toward the endothelial lineage one day after culture in normal medium. The therapeutic effect of 3DCMs was evaluated by transplanting hASCs, phosphate‐buffered saline alone, and the 3DCM into rat ischemic hind limbs. Blood flow was enhanced in the ischemic hind limb in the 3DCM‐injected group compared with the other groups. The ratio of human nuclear antigen (HNA) and hVEGF‐positive cells was significantly higher in the 3DCM‐injected group compared to hASC‐injected group. Human VEGF was observed in most HNA‐positive cells. Many hCD31 and hSMA‐positive cells were observed in vessel‐like structures in the 3DCM‐injected group. The 3DCM transplantation improved cell retention and angiogenic effects compared with ASC transplantation. These findings suggest that transplantation of 3DCMs may be an effective stem cell therapy for hind limb ischemia. Anat Rec, 297:2289–2298, 2014. © 2014 Wiley Periodicals, Inc.
Morphometric Study of Phylogenetic and Ecologic Signals in Procyonid (Mammalia: Carnivora) Endocasts
Authors: Ahrens Heather E.
Published: July 2014

Endocasts provide a proxy for brain morphology but are rarely incorporated in phylogenetic analyses despite the potential for new suites of characters. The phylogeny of Procyonidae, a carnivoran family with relatively limited taxonomic diversity, is not well resolved because morphological and molecular data yield conflicting topologies. The presence of phylogenetic and ecologic signals in the endocasts of procyonids will be determined using three‐dimensional geometric morphometrics. Endocasts of seven ingroup species and four outgroup species were digitally rendered and 21 landmarks were collected from the endocast surface. Two phylogenetic hypotheses of Procyonidae will be examined using methods testing for phylogenetic signal in morphometric data. In analyses of all taxa, there is significant phylogenetic signal in brain shape for both the morphological and molecular topologies. However, the analyses of ingroup taxa recover a significant phylogenetic signal for the morphological topology only. These results indicate support for the molecular outgroup topology, but not the ingroup topology given the brain shape data. Further examination of brain shape using principal components analysis and wireframe comparisons suggests procyonids possess more developed areas of the brain associated with motor control, spatial perception, and balance relative to the basal musteloid condition. Within Procyonidae, similar patterns of variation are present, and may be associated with increased arboreality in certain taxa. Thus, brain shape derived from endocasts may be used to test for phylogenetic signal and preliminary analyses suggest an association with behavior and ecology. Anat Rec, 297:2318–2330, 2014. © 2014 Wiley Periodicals, Inc.
Reactions with 4‐Bromo‐3‐methyl‐1‐phenyl‐2‐pyrazolin‐5‐one: New Fused Pyrazole Derivatives
Authors: Abdelhamid Abdou O. , Riad Bahia Y.
Published: July 2014

New furo[2,3‐c]pyrazoles and pyrano[2,3‐c]pyrazoles were synthesized from 4‐bromo‐3‐methyl‐1‐phenyl‐2‐pyrazolin‐5‐one and active methylenenitriles, ethyl acetoacetate or phenylhydrazine. The constitutions of the new heterocycles were established by elemental analyses and spectroscopic data.
4‐Phenylthio‐3‐pyrrolcarbonsäureester
Authors: Eiden Fritz , Grusdt Ulrike
Published: July 2014

Die Eignung der Dihydro‐dimethoxy‐methylfurancarbonsäureester 4A und B zur Synthese der Titelverbindungen wurde untersucht. Mit Thiophenolen entstehen aminkatalysiert die Additionsprodukte 12a–d, die beim Erhitzen mit Säuren unter Abspalten von Methanol die Furancarbonsäureester 13a. b bzw. 17 bilden und mit Ammoniak bzw. Aminen nach Säurezusatz zu den Pyrrolcarbonsäureestern 20a–e reagieren. Mit 2‐Aminothiophenol setzt sich 4 zu den heterocyclisch anellierten Pyrrol‐ bzw. Pyrrolidinderivaten 15 und 16 um, 20b und e ließen sich zu den Benzothiopyrano‐pyrrolcarbonsäureestern 23a und b kondensieren.
Saponine aus Anagallis arvensis L. (Primulaceae)
Authors: Glombitza Karl‐Werner , Kurth Hermann
Published: July 2014

Aus der Saponinfraktion des Krautes von Anagallis arvensis L. wurden vier Hauptsaponine AS 1, AS 2, AS 6 und AS 7 isoliert. Im sauren Hydrolysat von AS 1 und AS 2 wurde als Aglykon Priverogenin A und im Hydrolysat von AS 6 und AS 7 3β,16α,23,28‐Tetrahydroxyolean‐12‐en nachgewiesen. Als Zucker konnten bei den vier Saponinen übereinstimmend Glucose, Arabinose und Xylose identifiziert werden; ihr Mengenverhältnis wurde bestimmt.
Barbitursäurederivate, 40. Mitt.: Verteilung der Enantiomere von 1‐Diethylaminoethylphenobarbital zwischen Serum, Leber und Gehirn und Metabolismus des Racemats in der Ratte
Authors: Knabe Joachim , Büch Horst P. , Lampen Peter
Published: July 2014

Untersuchungen zur Verteilung der Enantiomere von 1‐Diethylaminoethylphenobarbital (1) an Ratten ergaben, daß nach i. v. und i. p. Applikation nicht das stärker wirksame R(–)‐, sondern das schwächer wirksame S(+)1‐Enantiomer gegenüber der Konzentration im Serum bevorzugt im Gehirn angereichert wird. Nach i. p. Applikation war die S(+)1‐Konzentration im Gehirn um 57 % höher als die des R(–)‐Enantiomers. Höhere Konzentration am Wirkort korreliert demnach nicht mit der stärkeren Wirkintensität. Nach i. p. Gabe der 1‐Enantiomere wurde als first pass Metabolit die N‐Monodesethylverbindung 2 isoliert. Nach oraler Gabe von 30 mg racem. 1 wurden im 24 h‐Urin als Hauptmetabolite außer 2 die N‐Bisdesethylverbindung 3 sowie drei weitere Abbauprodukte identifiziert.
Imidlactone, I: N‐(2‐Phenylethyl)‐1,3‐dihydro‐isobenzofuran‐1‐imine
Authors: Meise Werner , Südkamp Brigitte
Published: July 2014

N‐(2‐Phenylethyl)‐2‐hydroxymethyl‐benzamide 1 cyclisieren bei Behandlung mit SOCL2 zu den N‐(2‐Phenylethyl)‐1,3‐dihydro‐isobenzofuran‐iminen 5, die spektroskopisch und chemisch charakterisiert werden. Die Imidlactone 5 lassen sich mit NaBH4 zu den N‐(2‐Phenylethyl)‐2‐hydroxymethyl‐benzylaminen 3 reduzieren.
5‐(Ethoxymethylene)thiazolidine‐2,4‐dione Derivatives: Reactions and Biological Activities
Authors: Ead Hamed A. , Abdallah Sanaa O. , Kassab Nazmi A. , Metwalli Nadia H. , Saleh Yosry E.
Published: July 2014

The 5‐(ethoxymethylene)‐4‐thioxothiazolidin‐2‐ones 2a‐c were synthesized and reacted with acrylonitrile, ethyl acrylate. β‐nitrostyrene, N‐phenylmaleimide and malononitrile under different conditions, to yield the cycloaddition products 3–14. The antibacterial and antifungal activities of the new products were tested.
Photochemische Reaktivität von 5‐Desazaflaviniumsalzen und 5‐Desazaflavinen – ein Vergleich
Authors: Duchstein Hans‐Jürgen , Fenner Helmut , Bauch Werner
Published: July 2014

Die photochemische Reaktivität der Titelverbindungen 3 wurde untersucht und mit 5‐Desazaflavinen verglichen12). Dabei zeigte sich eine deutliche Ähnlichkeit zwischen diesen beiden Reihen, aber die Flavinanalogie ist bei den Verbindungen vom Typ 3a im Gegensatz zu 5‐Desazaflavinen noch weiter abgeschwächt. Sie verhalten sich vielmehr nikotinamidanalog, was auf Grund der Strukturähnlichkeit zu erwarten war.
Synthesis, In Vitro Evaluation, and Molecular Docking Studies of Azetidinones and Thiazolidinones of 2‐Amino‐5‐cyclopropyl‐1,3,4‐thiadiazole as Antibacterial Agents
Authors: Patel Harun , Mishra Lishu , Noolvi Malleshappa , Karpoormath Rajshekhar , Singh Cameotra Swaranjit
Published: July 2014

In an attempt to find a new class of antimicrobial agents, a series of novel azetidin‐2‐ones 3a–e and thiazolidin‐4‐ones 4a–e of 2‐amino‐5‐cyclopropyl‐1,3,4‐thiadiazole were synthesized. The synthesized compounds were confirmed by melting point, IR, 1H NMR, 13C NMR, and mass spectroscopy. The β‐lactam derivative (3e) was found to be the most potent compound of the series displaying excellent antibacterial activities against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa with MIC values of 15.60, 31.50, 62.50, and 125 µg/mL, respectively, as compared to the positive control drug ampicillin. Molecular docking studies and determination of the leakage of UV260‐ and UV280‐absorbing material (nucleic acid material and protein) confirmed that the synthesized compounds inhibit cell wall synthesis by inhibiting PTB (transpeptidase enzyme). Lipinski's rule and in silico ADME pharmacokinetic parameters are within the acceptable range defined for human use, thereby indicating their potential as a drug‐like molecules.
New Controllability Condition for Siphons in Ws3PR Nets
Authors: Guan Xuanxuan , Wu Wenhui , Wang Shouguang
Published: July 2014

Existing policies for deadlock control are mainly based on siphons due to their ability to indicate deadlocks, and can be used as a powerful tool to deal with deadlock situations in flexible manufacturing systems. In order to avoid deadlocks, researchers often add monitors to control siphons. This may result in redundant monitors, unnecessary cost, and restriction of the behavior permissiveness. For example, for a system of sequential systems with shared resources (S4R), the existing deadlock control policies based on max, max′ or max′′‐controlled siphons tend to overly restrict the behavior of a controlled system. To ensure maximal permissive behavior of controlled systems, a new concept of siphon controllability named W‐control is defined and then a sufficient and necessary condition under which a WS3PR is live if all its siphons are W‐controlled. Examples are given to demonstrate them.
Adaptive Terminal ILC for Iteration‐varying Target Points
Authors: Chi Ronghu , Wang Danwei , Lewis Frank L. , Hou Zhongsheng , Jin Shangtai
Published: July 2014

Terminal iterative learning control (TILC) has been developed to reduce the error between system output and a fixed desired point at the terminal end of operation interval over iterations. In this work, the desired terminal point is not fixed but allowed to change run‐to‐run among a set of fixed points and a new adaptive terminal iterative learning control scheme is developed to achieve learning objective over iterations. The control signal is updated from the measured terminal value at the end of a run, instead of the whole output trajectory. Although the reference terminal point is iteration‐varying, the new adaptive TILC guarantees that the tracking error converges to zero iteratively. Both rigorous mathematical analysis and simulation results confirm the applicability and effectiveness of the proposed approach.
Supercritical water gasification of biomass in diamond anvil cells and fluidized beds
Authors: Reddy Sivamohan N. , Ding Ning , Nanda Sonil , Dalai Ajay K. , Kozinski Janusz A.
Published: July 2014

With the shift in interest towards renewable energy, hydrogen as an alternative gaseous fuel seems to attract much attention. Waste biomass is an ideal option for the synthesis of biofuels due to its abundance and no net CO2 emissions. Hydrogen can be produced through supercritical water gasification of waste biomass. Hydrogen is an attractive energy carrier which can be used as a direct fuel or in fuel cells to generate electricity and in other energy‐producing processes. Gasification of biomass in supercritical water can be performed for hydrogen generation in both batch and continuous modes with/without the application of catalysts. In spite of the progress made in various gasification technologies, diamond anvil cells and fluidized beds as the new‐generation batch and continuous reactors, respectively, are not fully recognized. The current review is focused on understanding the design, application and limitations of these two new reactor configurations to help motivate their wide‐scale utilization. The review also discusses the potential of diamond anvil cells in studying the involved chemical reactions, thermodynamics, and phase behavior of biomass components during gasification. Nonetheless, the caliber of fluidized beds in continuously gasifying biomass for hydrogen production in supercritical water is also documented. © 2014 Society of Chemical Industry and John Wiley & Sons, Ltd
The interaction of CuInS2/ZnS/TGA quantum dots with tyrosine kinase inhibitor and its application
Authors: Liao Shenghua , Huang Yu , Zuo Jiaxin , Yan Zhengyu
Published: July 2014

The interactions between thioglycolic acid‐capped‐CuInS2/ZnS quantum dots (CuInS2/ZnS/TGA QDs) and tyrosine kinase inhibitor (TKI) were investigated using fluorescence, ultraviolet–visible spectrometry and Fourier transform infrared spectrometry. The results indicated that the fluorescence intensity of CuInS2/ZnS/TGA could be quenched by imatinib, dasatinib, nilotinib, gefitinib and erlotinib, which hinted that CuInS2/ZnS/TGA QDs could be used in the detection of TKI in active pharmaceutical ingredients (API). Calibration curves showed good linear correlation and low detection limits. The average recovery was between 98 and 102%. Moreover, the nature of the fluorescence quenching mechanism of CuInS2/ZnS/TGA QDs by TKI was discussed. A ground state complex was formed by hydrogen bonding between the carboxyl group of CuInS2/ZnS/TGA QDs and the amino group of TKI. This led to an increase in non‐radiative transition and fluorescence quenching of CuInS2/ZnS/TGA QDs. Copyright © 2014 John Wiley & Sons, Ltd.
Improved Stability and Half‐Life of Fluorinated Phosphotriesterase Using Rosetta
Authors: Yang Ching‐Yao , Renfrew P. Douglas , Olsen Andrew J. , Zhang Michelle , Yuvienco Carlo , Bonneau Richard , Montclare Jin Kim
Published: July 2014

Recently we demonstrated that incorporating p‐fluorophenylalanine (pFF) into phosphotriesterase dramatically improved folding, thereby leading to enhanced stability and function at elevated temperatures. To further improve the stability of the fluorinated enzyme, Rosetta was used to identify multiple potential stabilizing mutations. One such variant, pFF‐F104A, exhibited enhanced activity at elevated temperature and maintained activity over many days in solution at room temperature.
Buffer pKa and Transport Govern the Concentration Overpotential in Electrochemical Oxygen Reduction at Neutral pH
Authors: Popat Sudeep C. , Ki Dongwon , Young Michelle N. , Rittmann Bruce E. , Torres César I.
Published: July 2014

Microbial fuel cells (MFCs) show large cathodic overpotentials for the O2 reduction reaction. The local cathode pH is important, as OH− ions accumulate on the catalyst surface, resulting in a Nernstian concentration overpotential. Herein, we explore how various relevant buffers affect cathode performance at neutral pH, by reducing the concentration overpotential. We show that NH4+ buffer results in the best performance at current densities >10 A m−2, owing to buffering of the local pH close to its pKa (ca. 9.2). With other buffers, the local pH increases to >12 at similar current densities. We also show the importance of diffusion in buffer transport. Increasing the buffer concentration or improving the hydrodynamic conditions leads to lower overpotentials. We also present a mathematical model that includes buffer diffusion, for use in predicting cathode polarization curves. Overall, our results point to the promise of reducing cathode overpotentials in MFCs using naturally available buffers.
Rapid, Photocatalytic, and Deep Debromination of Polybrominated Diphenyl Ethers on Pd–TiO2: Intermediates and Pathways
Authors: Li Lina , Chang Wei , Wang Ying , Ji Hongwei , Chen Chuncheng , Ma Wanhong , Zhao Jincai
Published: July 2014

Titanium dioxide with surface‐loaded palladium (Pd–TiO2) was able to easily remove all ten bromine atoms from decabromodiphenyl ether (BDE209) within 1 h under the irradiation of sunlight or an artificial light source. By contrast, fewer than three bromine atoms were eliminated on the pristine TiO2 even with prolonged irradiation (5 h). During the photocatalytic debromination, moreover, the formed BDE intermediates exhibited a significant difference between the Pd–TiO2 and pristine TiO2 systems, and much less position selectivity for the debromination on Pd–TiO2 was observed than that on the pristine TiO2 surface. For another polybrominated diphenyl ether (BDE15), pristine TiO2 was incapable of its photocatalytic reduction, whereas the loading of Pd enabled its debromination to diphenyl ether within 20 min. In addition, an evident induction period appeared in the photocatalytic debromination of BDE15 on Pd–TiO2. The experiments imply that the Pd‐cocatalyzed effect changes significantly the photocatalytic reductive debromination pathways.
Synthesis of 1‐Indanols and 1‐Indanamines by Intramolecular Palladium(0)‐Catalyzed C(sp3)H Arylation: Impact of Conformational Effects
Authors: Janody Simon , Jazzar Rodolphe , Comte Arnaud , Holstein Philipp M. , Vors Jean‐Pierre , Ford Mark J. , Baudoin Olivier
Published: July 2014

A range of valuable 1‐indanols and 1‐indanamines containing a tertiary C1 atom were synthesized by intramolecular palladium(0)‐catalyzed C(sp3)H arylation, despite unfavorable steric interactions. The efficiency of the reaction was found to correlate with the degree of substitution at C2, as expected from the Thorpe–Ingold effect. Additionally, the nature of the heteroatomic substituent at C1 had a marked influence on the diastereoselectivity at C1 and C2; indeed, 1‐indanols and 1‐indanamines were obtained with the opposite relative configuration. Analysis of the X‐ray and DFT‐optimized structures of the corresponding reactive intermediates provided useful insights into the subtle conformational effects induced by these substituents.
Insights into the Asymmetric Heterogeneous Catalysis in Porous Organic Polymers: Constructing A TADDOL‐Embedded Chiral Catalyst for Studying the Structure–Activity Relationship[]
Authors: An Wan‐Kai , Han Man‐Yi , Wang Chang‐An , Yu Si‐Min , Zhang Yuan , Bai Shi , Wang Wei
Published: July 2014

Construction of porous organic polymers (POPs) as asymmetric catalysts remains as an important but challenging task. Herein, we exploit the “bottom‐up” strategy to facilely synthesize an α,α,α′,α′‐tetraaryl‐1,3‐dioxolane‐4,5‐dimethanol (TADDOL)‐based chiral porous polymer (TADDOL‐CPP) for highly efficient asymmetric catalysis. Constructed through the covalent linkages among the three‐dimensional rigid monomers, TADDOL‐CPP possesses hierarchical porous structure, high Brunauer–Emmett–Teller (BET) surface area, together with abundant and uniformly‐distributed chiral sites. In the presence of [Ti(OiPr)4], TADDOL‐CPP acts as a highly efficient and recyclable catalyst in the asymmetric addition of diethylzinc (Et2Zn) to aromatic aldehydes. Based on the direct observation of the key intermediates, the reaction mechanism has been revealed by solid‐state 13C magic‐angle spinning (MAS) NMR spectroscopy. In combination with the catalytic testing results, characterization on the working catalyst provides further information for understanding the structure–activity relationship. We suggest that the catalytic activity of TADDOL‐CPP is largely affected by the structural rigidity, cooperative catalysis, local chiral environment, and hierarchical porous framework. We expect that the information obtained herein will benefit to the designed synthesis of robust POP catalysts toward practical applications.
Liquid‐Phase Enantioselective Chromatographic Resolution Using Interpenetrated, Homochiral Framework Materials
Authors: Boer Stephanie A. , Nolvachai Yada , Kulsing Chadin , McCormick Laura J. , Hawes Chris S. , Marriott Philip J. , Turner David R.
Published: July 2014

Effective separation of mixtures of enantiomers is of continuing interest in analytical and preparative chromatography, with new materials frequently designed and tested. We report two new enantiomerically pure 2D→3D interpenetrated materials used as stationary liquid chromatographic (LC) phases that are shown to resolve selected racemic mixtures with enantiomeric and chemical selectivity. Dicarboxylate ligands derived from amino acids on naphthalene and perylene cores form 2D frameworks that interpenetrate to give 3D structures. Selectivity is initially tested by uptake from solution; subsequent LC methods show that the materials exhibit resolution of racemic analytes in ‘micro‐columns’ and that the two closely related materials show markedly different selectivity for different analytes with much greater activity than the ligands alone. Comparison with a close‐packed analogue suggests that the separation activity is largely due to surface effects.
ChemInform Abstract: Ca54In13B4‐xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions.
Authors: Blankenship Trevor V. , Chen Banghao , Latturner Susan E.
Published: July 2014

Ca54In13B4‐xH23+x (2.4 < x < 4) is prepared by solid state reactions of Ca, Li, In, B, and CaH2 in the molar ratio of 10:10:1:1:1, resp., using Ca and Li as a flux (stainless steel container in evacuated silica tube, 1050 °C, 2 h; controlled cooling).
ChemInform Abstract: Crystal Structures of Li6B4O9 and Li3B11O18 and Application of the Dimensional Reduction Formalism to Lithium Borates.
Authors: Rousse Gwenaelle , Baptiste Benoit , Lelong Gerald
Published: July 2014

The crystal structures of the title compounds are determined by single crystal XRD and Rietveld refinement of powder XRD data.
ChemInform Abstract: Control of the Superconducting Properties of Sr2‐xCaxVO3FeAs Through Isovalent Substitution.
Authors: Corkett Alex J. , Free David G. , Cassidy Simon J. , Ramos Silvia , Clarke Simon J.
Published: July 2014

The title compounds (0 ≤ x ≤ 0.5) are synthesized from stoichiometric mixtures of SrO, CaO, V, Fe2O3, Fe, and As (alumina crucibles, 1100 °C, 48 h).
ChemInform Abstract: Taking Advantage of Gold′s Electronegativity in R4Mn3‐xAu10+x (R: Gd or Y; 0.2 ≤ x ≤ 1).
Authors: Samal Saroj L. , Pandey Abhishek , Johnston David C. , Corbett John D. , Miller Gordon J.
Published: July 2014

Ln4Mn3‐xAu10+x (Ln: Gd, Y; 0.2 ≤ x ≤ 1) compounds are prepared by arc melting of stoichiometric amounts of the elements followed by annealing (Ta ampules in evacuated silica jackets, 1050 °C, 3—4 d).
ChemInform Abstract: Prediction of New Stable Compounds and Promising Thermoelectrics in the Cu—Sb—Se System.
Authors: Zhang Yongsheng , Ozolins Vidvuds , Morelli Donald , Wolverton C.
Published: July 2014

Phase stabilities and a prediction of as yet unreported compounds are given for the title system on the basis of a combination of total energies from DFT calculations with vibrational entropies from phonon calculations within the harmonic approximation and configurational entropies treated with cluster expansions.
ChemInform Abstract: Ionic Conduction in Cubic Na3TiP3O9N, a Secondary Na‐Ion Battery Cathode with Extremely Low Volume Change.
Authors: Khalifah Peter , et al. et al.
Published: July 2014

Isotropic mobility of Na at room temperature is demonstrated for Na3TiP3O9N which is prepared by solid state reaction of NaPO3, TiO2 (molar ratio of 3.05:1), and ascorbic acid (quartz boat, 850 °C, 20 h, flowing NH3).
ChemInform Abstract: Synthesis and Thermal Stability Studies of a Series of Metastable Dion—Jacobson Double‐Layered Neodymium‐Niobate Perovskites.
Authors: Josepha Elisha A. , Farooq Sara , Mitchell Cinnamon M. , Wiley John B.
Published: July 2014

The compounds (VI), (VIII), and (X) are prepared by topotactic ion exchange using (IV) as the precursor.
ChemInform Abstract: Generation of Ynolates via Reductive Lithiation Using Flow Microreactors.
Authors: Umezu Satoshi , Yoshiiwa Toshiya , Tokeshi Manabu , Shindo Mitsuru
Published: July 2014

The in situ generated ynolates are subsequently reacted with carbonyl compounds.
ChemInform Abstract: A Versatile and Highly Efficient Method for 1‐Chlorination of Terminal and Trialkylsilyl‐Protected Alkynes.
Authors: Gulia Nurbey , Pigulski Bartlomiej , Charewicz Marta , Szafert Slawomir
Published: July 2014

An efficient procedure for the chlorination of trialkylsilyl‐substituted alkynes is developed.
ChemInform Abstract: Highly Stereoselective Synthesis of 2‐Methyl‐1,3‐dienes by Palladium‐Catalyzed Cross‐Coupling Reaction with Trimethylaluminum.
Authors: Miyazawa Masahiro , Takehana Risa , Sanga Takao , Hosomori Aoi , Yokoyama Hajime , Hirai Yoshiro
Published: July 2014

Treatment of bromodienes with trimethylaluminum in the presence of a palladium catalyst with tricyclohexylphosphine as ligand leads to geometrically pure methyl‐branched conjugated dienes.
ChemInform Abstract: Copper‐Catalyzed Z‐Selective Semihydrogenation of Alkynes with Hydrosilane: A Convenient Approach to cis‐Alkenes.
Authors: Wang Guang‐Hui , Bin Huai‐Yu , Sun Miao , Chen Shu‐Wei , Liu Ji‐Hong , Zhong Chong‐Min
Published: July 2014

Application of this method is demonstrated by the total synthesis of Combretastatin A‐4 (VII).
ChemInform Abstract: Direct C—H Arylations of Unactivated Arenes Catalyzed by Amido‐Functionalized Imidazolium Salts.
Authors: Ghosh Debalina , Lee Jhen‐Yi , Liu Chian‐Yu , Chiang Yen‐Hsin , Lee Hon Man
Published: July 2014

An effective organocatalytic system based on an amido‐functionalized imidazolium salt allows the synthesis of biaryls from arylhalides and benzene.
ChemInform Abstract: Palladium‐Catalyzed [2 + 2 + 1] Oxidative Annulation of 4‐Hydroxycoumarins with Unactivated Internal Alkynes: Access to Spiro Cyclopentadiene‐chroman‐2,4‐dione Complexes.
Authors: Peng Shiyong , Gao Tao , Sun Shaofa , Peng Yanhong , Wu Minghu , Guo Haibing , Wang Jian
Published: July 2014

In the presence of Cu(OAc)2 the title compounds are obtained while K2S2O8 promotes the formation of furan derivatives.
ChemInform Abstract: Stable Chiral Complexes of Ionic Liquids with Aluminium and Biaryl Ligands as Efficient Catalysts for the Synthesis of Chiral Lactones.
Authors: Drozdz Agnieszka , Foreiter Magdalena B. , Chrobok Anna
Published: July 2014

The asymmetric Baeyer‐Villiger oxidation of monosubstituted prochiral cyclobutanones to γ‐butyrolactones proceeds in the presence of aluminium complexes with biaryl ligands and ionic liquids.
ChemInform Abstract: Synthesis of 2‐Acylthiophenes by Palladium‐Catalyzed Addition of Thiophenes to Nitriles.
Authors: Jiang Tao‐Shan , Wang Guan‐Wu
Published: July 2014

The synthesis of 2‐acylthiophenes is accomplished by Pd‐catalyzed reaction of thiophenes with nitriles in the presence of (+)‐camphorsulfonic acid and water as hydrolysis reagents.
ChemInform Abstract: A Copper‐Catalyzed Coupling Reaction of Vinyl Halides and Carbazates: Application in the Assembly of Polysubstituted Pyrroles.
Authors: Zhou Chengang , Ma Dawei
Published: July 2014

More than 70 differently substituted pyrroles are synthesized.
ChemInform Abstract: A Mild and Selective Pd‐Mediated Methodology for the Synthesis of Highly Fluorescent 2‐Arylated Tryptophans and Tryptophan‐Containing Peptides: A Catalytic Role for Pd0 Nanoparticles?
Authors: Williams Thomas J. , Reay Alan J. , Whitwood Adrian C. , Fairlamb Ian J. S.
Published: July 2014

The structures of products (IIId,e) are confirmed by X‐ray analysis.
ChemInform Abstract: Broensted Acid‐Catalyzed Straightforward Synthesis of Benzo[b]carbazoles from 2,3‐Unsubstituted Indoles.
Authors: Suarez Anisley , Garcia‐Garcia Patricia , Fernandez‐Rodriguez Manuel A. , Sanz Roberto
Published: July 2014

Acid‐catalyzed condensation of indoles with ortho‐[α‐(hydroxy)benzyl]benzaldehyde acetals offers a straightforward synthesis of annulated carbazole derivatives.
ChemInform Abstract: Synthesis and Characterization of Some Novel Multisubstituted 6,7‐Dihydro‐5H‐cyclopenta[b]pyridine Derivatives.
Authors: Guerdere Meliha Burcu , Yilmaz Burhan , Budak Yakup
Published: July 2014

A mild, efficient, and convenient method for the synthesis of the title compounds (II) from cheap and easily available starting materials is described.
ChemInform Abstract: Synthesis of a New Class of Pyrrolo[3,4‐h]quinazolines with Antimitotic Activity.
Authors: Barraja Paola , et al. et al.
Published: July 2014

All new compounds are tested for their cytotoxic activities.
ChemInform Abstract: A Cobalt‐Catalyzed Alkene Hydroboration with Pinacolborane.
Authors: Zhang Lei , Zuo Ziqing , Leng Xuebing , Huang Zheng
Published: July 2014

The preparation of PNN pincer cobalt complexes like (I) and their application in alkene hydroborations are described.
ChemInform Abstract: Iron‐Catalyzed Chemo‐, Regio‐, and Stereoselective Hydrosilylation of Alkenes and Alkynes Using a Bench‐Stable Iron(II) Pre‐Catalyst.
Authors: Greenhalgh Mark D. , Frank Dominik J. , Thomas Stephen P.
Published: July 2014

The formed silanes can be further converted to alcohols and ketones by oxidation with H2O2.
ChemInform Abstract: Metal‐Free Oxidative Arylphosphination of Activated N‐Substituted‐N‐arylacrylamide Derivatives Using K2S2O8.
Authors: Li Ya‐Min , Shen Yuehai , Chang Kwen‐Jen , Yang Shang‐Dong
Published: July 2014

Only diphenylphosphine oxide reacts with acrylamides in the presence of K2S2O8.
ChemInform Abstract: New Cassane‐Type Diterpenoids of Caesalpinia echinata (Leguminosae) Exhibiting NF‐ϰB Inhibitory Activities.
Authors: Mitsui Taichi , Ishihara Risa , Hayashi Ken‐ichiro , Sunadome Mitsuhisa , Matsuura Nobuyasu , Nozaki Hiroshi
Published: July 2014

Echinalides C (IIa) and D (IIb) significantly inhibit NF‐ϰB‐responsive reporter gene expression.
ChemInform Abstract: Total Syntheses of Arenamides A, B and C.
Authors: Chandrasekhar Srivari , Sathish Kurapati , Reddy Gangireddy Pavan Kumar , Mainkar Prathama S.
Published: July 2014

The first synthesis of these NFϰB inhibitors is presented.
ChemInform Abstract: Suzuki Coupling Based Synthesis and in vitro Cytotoxic Evaluation of 7‐Heteroaryl‐Substituted Camptothecin Analogues.
Authors: Wang Lei , Huang Ying , Zhang Jie , Tong Linjiang , Chen Yi , Lu Wei , Huang Qingqing
Published: July 2014

All of the new compounds (IV) show potent inhibition of human tumor cell growth.
ChemInform Abstract: Lipoxygenase Inhibitors Derived from Marine Macroalgae.
Authors: Kurihara Hideyuki , Kagawa Yoshio , Konno Remi , Kim Sang Moo , Takahashi Koretaro
Published: July 2014

The alkapolyenes (I) and (II) show higher inhibitory activity than the known inhibitor nordihydroguaiaretic acid.
ChemInform Abstract: Nanostructured Mg‐Al Hydrotalcite as Catalyst for Fine Chemical Synthesis
Authors: Basahel Sulaiman N. , Al‐Thabaiti Shaeel A. , Narasimharao Katabathini , Ahmed Nesreen S. , Mokhtar Mohamed
Published: July 2014

Review: 170 refs.
ChemInform Abstract: Asymmetric Epoxidation of Olefins with Homogeneous Chiral (Salen) Manganese(III) Complexes
Authors: Shi Qian‐Ping , Shi Zhi‐Hao , Li Nian‐Guang , Tang Yu‐Ping , Li Wei , Tang Hao , Zhang Wei , Shen Min‐Zhe , Duan Jin‐Ao
Published: July 2014

Review: 138 refs.
ChemInform Abstract: Cross‐Coupling Reactions Using Samarium(II) Iodide
Authors: Szostak Michal , Fazakerley Neal J. , Parmar Dixit , Procter David J.
Published: July 2014

Review: 595 refs.
ChemInform Abstract: Metal Complex Catalysis in the Synthesis of Spirocarbocycles
Authors: D'yakonov Vladimir A. , Trapeznikova Ol'ga A. , de Meijere Armin , Dzhemilev Usein M.
Published: July 2014

Review: 391 refs.
ChemInform Abstract: Efficient Synthesis Strategies by Application of Transition Metal‐Catalyzed Carbene/Nitrene Insertions into C—H Bonds
Authors: Egger Julian , Carreira Erick M.
Published: July 2014

Review: 53 refs.
ChemInform Abstract: Molecular Iodine/Polymer Complexes
Authors: Moulay Saad
Published: July 2014

Review: 404 refs.
ChemInform Abstract: Complexity Structures of Active Sites in Catalysis
Authors: Piumetti Marco , Lygeros Nikos
Published: July 2014

Review: 40 refs.
ChemInform Abstract: “Stretching” the Energy Landscape of Oxides‐Effects on Electrocatalysis and Diffusion
Authors: Yildiz Bilge
Published: July 2014

Review: 103 refs.
ChemInform Abstract: A Concise Account of Various Approaches for Stereoselective Construction of the C‐20(H) Stereogenic Center in Steroid Side Chain
Authors: Shingate Bapurao B. , Hazra Braja G.
Published: July 2014

Review: 289 refs.
ChemInform Abstract: Formation and Role of Palladium Chalcogenide and Other Species in Suzuki—Miyaura and Heck C—C Coupling Reactions Catalyzed with Palladium(II) Complexes of Organochalcogen Ligands: Realities and Speculations
Authors: Kumar Arun , Rao Gyandshwar Kumar , Kumar Satyendra , Singh Ajai K.
Published: July 2014

Review: 174 refs.
ChemInform Abstract: Phthalides and Phthalans: Synthetic Methodologies and Their Applications in the Total Synthesis
Authors: Karmakar Raju , Pahari Pallab , Mal Dipakranjan
Published: July 2014

Review: 540 refs.
ChemInform Abstract: Synthesis and Characterization of Metal and Semiconductor Nanowires
Authors: Virk Hardev Singh
Published: July 2014

Review: 160 refs.
Enzymatic Hydrolysis of Esters Containing a Tetrazole Ring
Authors: Łukowska‐Chojnacka Edyta , Mierzejewska Jolanta
Published: July 2014

The lipase‐catalyzed enantioselective hydrolysis of acetates containing tetrazole moiety was studied. Among all tested lipases, Novozyme SP 435 allowed to obtain optically active 4‐(5‐aryl‐2H‐tetrazol‐2yl)butan‐2‐ol and 1‐(5‐aryl‐2H‐tetrazol‐2yl)‐propan‐2‐ol and their acetates with the highest optical purities (ee = 95%‐99%) and excellent enantioselectivity (E>100). Some of the synthesized tetrazole derivatives were screened for their antifungal activity. Racemic mixtures of 4‐[5‐(4‐chlorophenyl)‐2H‐tetrazol‐2‐yl)butan‐2‐ol as well as pure enantiomers of this compound showed promising antifungal activity against F. sambucinum, F. oxysporum, C. coccodes, and A. niger. Chirality 26: 811–816, 2014. © 2014 Wiley Periodicals, Inc.
Solubility and diffusivity of propane in heavy oil and its SARA fractions
Authors: Marufuzzaman Mohammad , Henni Amr
Published: July 2014

The design and modelling of solvent‐based heavy oil recovery requires information about the solubility and diffusivity of particular solvents in heavy oil and its fractions. In this study, the original Cactus Lake oil was first characterized into saturate, aromatic, resin, asphaltene, and maltene fractions. An intelligent gravimetric microbalance was used to measure the solubility of propane in the heavy oil and its saturate, aromatic, resin, asphaltene, and maltene fractions. The measurements were carried out at 288, 294, 299 and 303 K, and at pressures up to 600 kPa. From the experimental results, it was observed that the saturate fractions have the highest solubility followed by maltene, aromatic, heavy oil and resin fractions. Solubility data were also reported in the form of Henry's law constants. It was observed that the asphaltene content affects the propane solubility quite significantly in the heavy oil at the same equilibrium pressure. The Peng–Robinson equation of state was used to correlate the experimental results within acceptable deviations. The adsorbed amounts of propane in asphaltene were also measured at 288, 294, 299 and 303 K and at pressures up to 600 kPa to determine the adsorption capability of propane on asphaltene. Finally, time‐dependent concentration data were used to determine the diffusion coefficients of propane in heavy oil, saturate, aromatic and maltene fractions using a simple diffusion model. It was observed that the diffusion coefficient increases with pressure but decreases with the asphaltene content.
Variational Characterizations of Weak Solutions to the Dirichlet Problem for Mixed‐Type Equations
Authors: Lupo Daniela , Monticelli Dario D. , Payne Kevin R.
Published: July 2014

For linear and nonlinear second‐order partial differential equations of mixed elliptic‐hyperbolic type, we prove that weak solutions to the Dirichlet problem are characterized by a variational principle. The weak solutions are shown to be saddle points of natural functionals suggested by the divergence form of the PDEs. Moreover, the natural domains of the functionals are the weighted Sobolev spaces to which the solutions belong. In addition, all critical levels will be characterized in terms of global extrema of the functional restricted to suitable infinite‐dimensional linear subspaces. These subspaces are defined in terms of a robust spectral theory with weights associated to the linear operator. This spectral theory has been recently developed by the authors, which in turn exploits weak well‐posedness results obtained by Morawetz and the authors. © 2015 Wiley Periodicals, Inc.
Efficient multiple sources network coding signature in the standard model
Authors: Zhang Jinlin , Shao Jun , Ling Yun , Ji Min , Wei Guiyi , Ying Bishan
Published: July 2014

Network coding is a new routing technique that can improve a network's throughput. The key idea is to allow network routers to code the received packets before transmission. However, network coding is vulnerable to pollution attacks where malicious node(s) can flood the network with invalid packets and prevent the receiver from the right decoding. Network coding signature offers a good solution to this problem. Nevertheless, existing network coding signature schemes cannot either be proven secure in the standard model, support multiple sources, or in‐time signing. In this paper, we propose a new network coding signature scheme to solve the aforementioned problems. Copyright © 2014 John Wiley & Sons, Ltd.
A First‐Principles Investigation on Microscopic Atom Distribution and Configuration‐Averaged Properties in Cd1−xZnxS Solid Solutions
Authors: Zhou Zhaohui , Shi Jinwen , Wu Po , Guo Liejin
Published: July 2014

The structural, energetic, and electronic properties of zincblende and wurtzite phase Cd1−xZnxS (0≤x≤1) solid solutions were investigated by first‐principles calculations. It was revealed that the trend of atom distribution in configurations with the same x value can be quantitatively characterized by the average length of the ZnS bonds. The origin of this trend was attributed to the strong interaction of the ZnS bonds, which acted against the aggregation of Zn atoms in this solid solution. By using a configuration‐averaged method, structural and energetic properties were estimated as a function of Zn content at the level of the generalized gradient approximation, whereas electronic properties were corrected by using a hybrid functional. Phase diagrams of both solid solutions were established. An optimal x value of approximately 0.5 for photocatalytic hydrogen production was determined by taking both the band edges and band gaps into consideration; this conclusion was supported by the results of a variety of experiments.
Synchronization of multiple bursting neurons ring coupled via impulsive variables
Authors: Wang Zuolei , Jiang Yaolin , Li Hongli
Published: July 2014

Synchronization behavior of bursting neurons is investigated in a neuronal network ring impulsively coupled, in which each neuron exhibits chaotic bursting behavior. Based on the Lyapunov stability theory and impulsive control theory, sufficient conditions for synchronization of the multiple systems coupled with impulsive variables can be obtained. The neurons become synchronous via suitable impulsive strength and resetting period. Furthermore, the result is obtained that synchronization among neurons is weakened with the increasing of the reset period and the number of neurons. Finally, numerical simulations are provided to show the effectiveness of the theoretical results.© 2014 Wiley Periodicals, Inc. Complexity 21: 29–37, 2015
Facile synthesis of hierarchical CuO nanostructures with enhanced photocatalytic activity
Authors: Villani M. , Alabi A.B. , Coppedè N. , Calestani D. , Lazzarini L. , Zappettini A.
Published: July 2014

Herein we present a simple solution‐based protocol to produce a highly efficient photocatalyst consisting of a 3D assembly of 2D nanostructures via one‐pot synthesis. Such hierarchical assembly allow a very high surface/volume ratio and facing of active photocatalytic surface. Morphological and structural investigations of the as‐grown CuO nanostructures have been performed by FESEM, STEM, HRTEM, SAED and XRD analyses. A detailed study of the photocatalytic activity has been carried out, comparing CuO with reference TiO2 nanoparticles: a very high photocatalytic activity has been measured, higher than that of commercial TiO2 and among the best reported in literature for CuO. This can be reasonably ascribed to the synthetic procedure: on the one hand the hierarchical assembly exhibit a very high surface to volume ratio; on the other, the surfactant‐free approach allows the whole surface of the nanostructure to be exposed to the chemical environment and hence maximize the photo‐degradation of organic pollutants.
Luminescent Properties of Multilayered Eu2O3 and TiO2 Grown by Atomic Layer Deposition**
Authors: Hansen Per‐Anders , Fjellvåg Helmer , Finstad Terje G. , Nilsen Ola
Published: July 2014

Atomic layer deposition (ALD) is used to control the interatomic interactions of Eu and Ti in multilayered structures, as measured by characterizing the luminescent properties of the deposited material. Luminescent multilayer structures of Eu2O3 and TiO2 are deposited as thin films by ALD at 300 °C using Eu(thd)3/O3 and TiCl4/H2O (thd = 2,2,6,6‐tetramethyl‐3,5‐heptanedione) as precursor systems. The individual layer thickness of the multilayered structure is produced from first N ALD cycles Eu2O3 and then N ALD cycles TiO2 (N = 1 to 50), while the total film thickness is kept constant. The thinnest distinct layers are detected for N = 10, where each layer is measured to be less than 0.4 nm thick. The as‐deposited films are smooth (root mean square (rms) roughness < 0.4 nm) and amorphous, independent of the layer thickness, N. The refractive index and extinction coefficient are also independent of N, while the luminescence efficiency is constant for N up to 10 cycles, and decreases for thicker superlayers. Annealing deteriorates the layered structures, causing a decrease in luminescence efficiency for thin superlayers, while thick superlayers increase in efficiency upon annealing. The films are characterized by spectroscopic ellipsometry (SE), photoluminescence (PL), X‐ray diffraction (XRD), X‐ray fluorescence (XRF), X‐ray reflectivity (XRR), and atomic force microscopy (AFM).