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Articles from Wiley

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The latest chemistry from ChemPubSoc Europe and Wiley-VCH
Aggiornato: 2 settimane 3 giorni fa

Structural Studies of Nicotinoids: Cotinine versus Nicotine

5 aprile, 2017 - 00:00

 Cotinine versus Nicotine

“…Cotinine and Nicotine which have to pit their strengths against each other.” Read more about the story behind the cover in the Cover Profile and about the research itself on page ▪▪ ff. (DOI: 10.1002/chem.201700023).

[Cover Profile]
Iciar Uriarte, Cristóbal Pérez, Elena Caballero-Mancebo, Francisco J. Basterretxea, Alberto Lesarri, José A. Fernández, Emilio J. Cocinero
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201701076 Read article

Engineering of Ruthenium(II) Photosensitizers with Non-Innocent Oxyquinolate and Carboxyamidoquinolate Ligands for Dye-Sensitized Solar Cells

5 aprile, 2017 - 00:00

Engineering of Ruthenium(II) Photosensitizers with Non‐Innocent Oxyquinolate and Carboxyamidoquinolate Ligands for Dye‐Sensitized Solar Cells

Non-innocent ligand transition metal complexes are appealing due to their remarkable redox properties imparted by the presence of extensive metal(dπ)–ligand(π) bonding. The non-innocent character derived from the mixing of ruthenium dπ and oxyquinolate or N-carboxyamidoquinolate π orbitals generates hybrid metal–ligand frontier orbitals that play a major role in contributing to an improved power conversion efficiency in a Ru non-innocent ligand sensitized DSSC device. More information can be found in the Full Paper by J. Rochford and co-workers on page ▪▪ ff. (DOI: 10.1002/chem.201605991).

[Cover Picture]
Ken T. Ngo, Nicholas A. Lee, Sashari D. Pinnace, Jonathan Rochford
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201700801 Read article

Highly Electron-Rich β-Diketiminato Systems: Synthesis and Coordination Chemistry of Amino-Functionalized “<i>N</i>-nacnac” Ligands

5 aprile, 2017 - 00:00

Highly Electron‐Rich &#x3B2;‐Diketiminato Systems: Synthesis and Coordination Chemistry of Amino‐Functionalized “N‐nacnac” Ligands

Nacnac, who′s there: The synthesis and coordination chemistry of electron-rich amino-functionalized &#x3B2;-diketiminato (N-nacnac) ligands are reported. Two synthetic methodologies have been developed for protio-ligands bearing backbone NR2 groups, which react with metal alkyls to access complexes from groups 1, 2, and 13. SnII and YbII systems can be prepared through transmetalation to allow direct comparison with conventional Nacnac compounds.

[Full Paper]
Dinh Cao Huan Do, Ailsa Keyser, Andrey V. Protchenko, Brant Maitland, Indrek Pernik, Haoyu Niu, Eugene L. Kolychev, Arnab Rit, Dragoslav Vidovic, Andreas Stasch, Cameron Jones, Simon Aldridge
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201700757 Read article

The Impact of Heteromultivalency in Lectin Recognition and Glycosidase Inhibition: An Integrated Mechanistic Study

5 aprile, 2017 - 00:00

 An Integrated Mechanistic Study

Different selectivity patterns towards enzymes and lectins can be elicited by (hetero)multivalent displays of sugar and glycomimetic motifs. The binding modes at play reveal analogies between the (hetero)cluster effect and (hetero)multivalent enzyme inhibition that underline the need of a reformulation of the multivalent effect.

[Full Paper]
M. Isabel García-Moreno, Fernando Ortega-Caballero, Rocío Rísquez-Cuadro, Carmen Ortiz Mellet, José M. García Fernández
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201700470 Read article

Template-Mediated Stabilization of a DNA G-Quadruplex formed in the HIV-1 Promoter and Comparative Binding Studies

5 aprile, 2017 - 00:00

Template‐Mediated Stabilization of a DNA G‐Quadruplex formed in the HIV‐1 Promoter and Comparative Binding Studies

A G4 aim stabilizer: Multistep orthogonal ligation procedures were optimized to assemble a bioconjugate that folds into a stable DNA G-quadruplex (G4) motif. The affinity and selectivity of six state-of-the-art G4-binding ligands toward the viral DNA G4 architecture and a telomeric G4 structure were collected and compared revealing dissimilar affinity, selectivity, and binding mode (see figure).

[Full Paper]
Laureen Bonnat, Laure Bar, Béatrice Génnaro, Hugues Bonnet, Olivier Jarjayes, Fabrice Thomas, Jérôme Dejeu, Eric Defrancq, Thomas Lavergne
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201700417 Read article

Probing Phosphorus Nitride (P≡N) and Other Elusive Species Formed upon Pyrolysis of Dimethyl Phosphoramidate

5 aprile, 2017 - 00:00

Probing Phosphorus Nitride (P≡N) and Other Elusive Species Formed upon Pyrolysis of Dimethyl Phosphoramidate

The thermolysis chemistry of dimethyl phosphoramidate as an example for a PN-containing compound was studied using imaging photoelectron photoion coincidence (iPEPICO) spectroscopy coupled with vacuum-ultraviolet (VUV) synchrotron radiation. The detailed decomposition process was mapped by recording photoionization mass spectra at different temperatures.

[Full Paper]
Shuyu Liang, Patrick Hemberger, Joëlle Levalois-Grützmacher, Hansjörg Grützmacher, Sabyasachi Gaan
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201700402 Read article

Computational Study of Oxidation of Guanine by Singlet Oxygen (<sup>1</sup>Δ<sub>g</sub>) and Formation of Guanine:Lysine Cross-Links

5 aprile, 2017 - 00:00

Computational Study of Oxidation of Guanine by Singlet Oxygen (1&#x394;g) and Formation of Guanine:Lysine Cross‐Links

DNA damage: Computational modeling of the reactions of singlet oxygen is quite challenging because of its multi reference character. Unlike in aromatic alternate hydrocarbons, oxidation of guanine by singlet oxygen proceeds by a stepwise zwitterionic pathway, and forms guanine endoperoxide. The endoperoxide, after ring opening and loss of water, can react with lysine or water. The barrier for lysine addition is significantly lower than for the water addition, favoring 5-Lys-Sp as a dominant product.

[Full Paper]
Bishnu Thapa, Barbara H. Munk, Cynthia J. Burrows, H. Bernhard Schlegel
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201700231 Read article

HSO<sub>2</sub><sup>+</sup> Formation from Ion-Molecule Reactions of SO<sub>2</sub><sup>⋅+</sup> with Water and Methane: Two Fast Reactions with Reverse Temperature-Dependent Kinetic Trend

5 aprile, 2017 - 00:00

 Two Fast Reactions with Reverse Temperature‐Dependent Kinetic Trend

Taking charge: The sulfur dioxide radical cation efficiently reacts with water and methane with opposite temperature-dependent kinetic trend. The experiments with tunable synchrotron radiation show only one product: HSO2+. Theory explains the results by means of the polar, spin and charge effects as well as structural reorganization occurring along the reaction coordinate.

[Full Paper]
Antonella Cartoni, Daniele Catone, Paola Bolognesi, Mauro Satta, Pal Markus, Lorenzo Avaldi
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201700028 Read article

Why DNA Is a More Effective Scaffold than RNA in Nucleic Acid-Based Asymmetric Catalysis—Supramolecular Control of Cooperative Effects

5 aprile, 2017 - 00:00

Why DNA Is a More Effective Scaffold than RNA in Nucleic Acid‐Based Asymmetric Catalysis—Supramolecular Control of Cooperative Effects

Nucleic acids can form efficient hybrid catalysts for asymmetric catalysis upon binding of low-molecular-weight metal complexes. Up to now DNA has been the preferred nucleic acid component, while RNA was largely ignored. It is shown that despite RNA′s successful use in ribozymes, RNA is less suited for use in hybrid catalysts for asymmetric catalysis.

[Communication]
Jasmin J. Marek, Ulrich Hennecke
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201606043 Read article

Engineering of Ruthenium(II) Photosensitizers with Non-Innocent Oxyquinolate and Carboxyamidoquinolate Ligands for Dye-Sensitized Solar Cells

5 aprile, 2017 - 00:00

Engineering of Ruthenium(II) Photosensitizers with Non‐Innocent Oxyquinolate and Carboxyamidoquinolate Ligands for Dye‐Sensitized Solar Cells

Oxyquinolate and carboxyamidoquinolate ligands were investigated experimentally and theoretically for their influence on the optical and redox properties of ruthenium dyes for application in dye-sensitized solar cells. Fluorination of these non-innocent ligands has a positive influence on the frontier orbital mixing with the central ruthenium metal, thereby contributing to (metal-ligand)-to-ligand charge-transfer electronic transitions (see figure).

[Full Paper]
Ken T. Ngo, Nicholas A. Lee, Sashari D. Pinnace, Jonathan Rochford
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201605991 Read article

Cobalt-Catalyzed Regioselective Borylation of Arenes: N-Heterocyclic Silylene as an Electron Donor in the Metal-Mediated Activation of C−H Bonds

5 aprile, 2017 - 00:00

 N‐Heterocyclic Silylene as an Electron Donor in the Metal‐Mediated Activation of C−H Bonds

Strong-armed borylation: A new SiNSi cobalt pincer complex with two N-heterocyclic silylene (NHSi) arms enabled the direct and facile C−H borylation of heteroarenes and fluorinated arenes with complementary regioselectivity compared to previously reported transition-metal-based catalysts.

[Communication]
Hailong Ren, Yu-Peng Zhou, Yunping Bai, Chunming Cui, Matthias Driess
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201605937 Read article

Harnessing a <i>p</i>-Quinone Methide Intermediate in the Biomimetic Total Synthesis of the Highly Active Antibiotic 20-Deoxy-Elansolid B1

5 aprile, 2017 - 00:00

Harnessing a p‐Quinone Methide Intermediate in the Biomimetic Total Synthesis of the Highly Active Antibiotic 20‐Deoxy‐Elansolid B1

Pull the trigger: 20-Deoxy-elansolid B1, the proposed PKS product of elansolid, was prepared by a biomimetic intramolecular Diels–Alder (IMDA) cycloaddition. The cascade reaction is triggered by a proton and proceeds via a p-quinone methide intermediate followed by IMDA. The new deoxy derivative shows strong antibacterial activity despite the absence of the hydroxyl group at C20.

[Full Paper]
Liang Liang Wang, David Candito, Gerald Dräger, Jennifer Herrmann, Rolf Müller, Andreas Kirschning
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201605884 Read article

The A Priori Design and Selection of Ionic Liquids as Solvents for Active Pharmaceutical Ingredients

5 aprile, 2017 - 00:00

The A Priori Design and Selection of Ionic Liquids as Solvents for Active Pharmaceutical Ingredients

A simple model for the qualitative prediction of the solubility of active pharmaceutical ingredients (APIs) in ionic liquids using COSMO-RS software is presented. These predictions were experimentally verified and led to the preparation of new guanidinium ionic liquids which were found to be excellent solvents for a class of poorly soluble APIs. A novel crystallisation procedure was developed based on manipulating the interactions between the APIs and these ionic liquids.

[Full Paper]
Andreas J. Kunov-Kruse, Cameron C. Weber, Robin D. Rogers, Allan S. Myerson
Chem. Eur. J., April 05, 2017, https://doi.org/10.1002/chem.201605704 Read article

Formation of Fe<sub>3</sub>O<sub>4</sub> Nanoparticles Embedded in an Olive-Shaped Carbon Skeleton as a High-Performance Anode Material

5 aprile, 2017 - 00:00

Formation of Fe3O4 Nanoparticles Embedded in an Olive‐Shaped Carbon Skeleton as a High‐Performance Anode Material

Extending the olive branch: Fe3O4 nanoparticles embedded in a micro-sized olive-shaped carbon skeleton are prepared by pyrolyzing MIL-88(Fe) precursors in a nitrogen atmosphere by using inexpensive raw materials and solvents. Fe3O4/C composites exhibit excellent lithium storage properties with high capacity, stable cycling performance, and good rate capability.

[Article]
Xiufeng Yao, Zhanxu Yang, Chengyuan Qi, Yue Li, Tianfeng Cai, Tieqiang Ren
ChemElectroChem, April 05, 2017, https://doi.org/10.1002/celc.201700130 Read article

Selective Oxidation of Activated Alcohols by Supported Gold Nanoparticles under an Atmospheric Pressure of O<sub>2</sub>: Batch and Continuous-Flow Studies

5 aprile, 2017 - 00:00

 Batch and Continuous‐Flow Studies

Continuously higher yields: Commercially available Au nanoparticles (NPs) supported on alumina were used to selectively oxidize a large range of activated alcohols to the corresponding carbonyl compounds in good yields (43–99 %). The true heterogeneous nature of the catalysis by gold was demonstrated, and the protocol adapted to continuous-flow reactors, in which higher yields were obtained (84–99 %).

[Full Paper]
Pascal D. Giorgi, Nelli Elizarov, Sylvain Antoniotti
ChemCatChem, April 05, 2017, https://doi.org/10.1002/cctc.201700179 Read article

Structural Changes of Binary/Ternary Spinel Oxides During Ethanol Anaerobic Decomposition

5 aprile, 2017 - 00:00

Structural Changes of Binary/Ternary Spinel Oxides During Ethanol Anaerobic Decomposition

Reducing it down: The reduction profile of spinel-type mixed ferrites is investigated in the presence of ethanol as the reactant/reducing agent. The model developed for spinel reduction accounts for the reactivity behavior shown under anaerobic conditions, which is greatly affected by ferrite composition.

[Full Paper]
Olena Vozniuk, Cristian Bazzo, Stefania Albonetti, Nathalie Tanchoux, Françoise Bosselet, Jean-Marc M. Millet, Francesco Di Renzo, Fabrizio Cavani
ChemCatChem, April 05, 2017, https://doi.org/10.1002/cctc.201601605 Read article

Catalytic Oxide-Ion Conducting Materials for Surface Activation of Ba<sub>0.5</sub>Sr<sub>0.5</sub>Co<sub>0.8</sub>Fe<sub>0.2</sub>O<sub>3-δ</sub> Membranes

4 aprile, 2017 - 00:00

Catalytic Oxide‐Ion Conducting Materials for Surface Activation of Ba0.5Sr0.5Co0.8Fe0.2O3‐&#x3B4; Membranes

The oxygen permeation of BSCF membranes was optimized by catalytic activation of the surface with several strontium ferrite-cobaltite compounds and doped cerias. The material influence and the role of the layer microstructure on boosting the surface reactions that enhance the oxygen permeation were evaluated.

[Full Paper]
M. Pilar Lobera, María Balaguer, Julio García-Fayos, José M. Serra
ChemistrySelect, April 04, 2017, https://doi.org/10.1002/slct.201700530 Read article

Application of DMSO in the Synthesis of 1,4-Disubstituted (But-1-en-3-ynyl)methylthioethers

4 aprile, 2017 - 00:00

Application of DMSO in the Synthesis of 1,4‐Disubstituted (But‐1‐en‐3‐ynyl)methylthioethers

Methylthiolation reaction of 1,3-diynes with DMSO in the presence of formamidine acetate and K3PO4 at 130 °C was presented, affording 1,4-disubstituted (but-1-en-3-ynyl)methylthioethers in up to 87 % yield.

[Communication]
Chuanchuan Cao, Liang Zhang, Gang Zhou, Wenyan Dan, Xiaorong Wang, Xiaoming Zhao
ChemistrySelect, April 04, 2017, https://doi.org/10.1002/slct.201700378 Read article

Phytochemical and Cytotoxic Evaluation of Peganum Harmala: Structure Activity Relationship Studies of Harmine

4 aprile, 2017 - 00:00

 Structure Activity Relationship Studies of Harmine

Four bioactive molecules: Harmine, Harmaline, Vasicine and Vasicinone were isolated from Peganum harmala. Harmine, the most potent cytotoxic constituent, was derivatised using click chemistry approach. The structure-activity relationship of harmine analogs was studied using MTT assay and the results revealed that few analogs show promising cytotoxic effects.

[Full Paper]
Iram Ayoob, Younis M. Hazari, Shabir H. Lone, Shakeel-u-Rehman, Mohammad A. Khuroo, Khalid M. Fazili, Khursheed A. Bhat
ChemistrySelect, April 04, 2017, https://doi.org/10.1002/slct.201700232 Read article

Investigation on Surface-Film Formation Behavior of LiMn<sub>2</sub>O<sub>4</sub> Thin-Film Electrodes in LiClO<sub>4</sub>/Propylene Carbonate

4 aprile, 2017 - 00:00

Investigation on Surface‐Film Formation Behavior of LiMn2O4 Thin‐Film Electrodes in LiClO4/Propylene Carbonate

Surface-film formation behaviour of LiMn2O4 in LiClO4/propylene carbonate (PC) was investigated. At 30 °C, passivating is not observed. On the other hand, passivation occurs at 55 °C. It is concluded that catalytic oxidation of PC rapidly proceeded on manganese ion at the surface of LiMn2O4 at 55 °C, resulting in formation of the passivating surface film and irreversible reduction of LiMn2O4 to Mn2O3.

[Full Paper]
Jun-ichi Inamoto, Tomokazu Fukutsuka, Kohei Miyazaki, Takeshi Abe
ChemistrySelect, April 04, 2017, https://doi.org/10.1002/slct.201700219 Read article

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