ChemPhysChem

Cover image for Vol. 15 Issue 12

Early View (Online Version of Record published before inclusion in an issue)

Editor: Greta Heydenrych; Editorial Board Chairs: Christian Amatore, Michael Grätzel, Michel Orrit

Online ISSN: 1439-7641

Associated Title(s): Advanced Materials, ChemBioChem, ChemCatChem, ChemElectroChem, ChemSusChem, Small

  1. Articles

    1. Nanostructuring of Self-Assembled Porphyrin Networks at a Solid/Liquid Interface: Local Manipulation under Global Control

      Dr. Michiel J. J. Coenen, Dr. Tony Khoury, Prof. Maxwell J. Crossley, Dr. Bas L. M. Hendriksen, Dr. Johannes A. A. W. Elemans and Prof. Sylvia Speller

      Article first published online: 21 AUG 2014 | DOI: 10.1002/cphc.201402449

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      Ground control to Major Tom: Global control over the self-assembly of tetraundecyl metal porphyrins into a monolayer at a solid/liquid interface is governed by the concentration and composition of the supernatant solution. Subsequent manipulation by nanoshaving with a scanning tunneling microscopy tip creates monolayer defects, which can mediate a decrease or increase in local surface density, or the insertion of a second species of the same shape.

    2. Dioxetane Scission Products Unchanged by Mechanical Force

      Jess M. Clough and Prof. Dr. Rint P. Sijbesma

      Article first published online: 21 AUG 2014 | DOI: 10.1002/cphc.201402365

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      Illuminating mechanoluminescence: Dioxetane-based force-induced light emission from polymers is a powerful new way to characterize polymer behavior under stress. Here we reveal that the dioxetane is broken mechanically into products almost identical to those formed by heating at elevated temperatures (see figure). Excited- and ground-state degeneracy is thought to play a critical role in regulating the outcome of the mechanical scission process.

    3. Determination of Solubility Parameters of Ionic Liquids and Ionic Liquid/Solvent Mixtures from Intrinsic Viscosity

      Dr. Piyarat Weerachanchai, Yuewen Wong, Prof. Kok Hwa Lim, Prof. Timothy Thatt Yang Tan and Prof. Jong-Min Lee

      Article first published online: 21 AUG 2014 | DOI: 10.1002/cphc.201402345

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      Viewing the Mix in 3D: The solvation power of ionic liquids and ionic liquid/solvent mixtures was studied by using an intrinsic viscosity method that allowed the determination of Hildebrand and Hansen solubility parameters, in particular, dispersion, polar and hydrogen-bonding solubility parameters. These partial solubility parameters can be visualized as coordinates in a 3D diagram, allowing illustration of the miscibility of different materials.

    4. Type-Dependent Identification of DNA Nucleobases by Using Diamondoids

      Frank C. Maier and Dr. Maria Fyta

      Article first published online: 21 AUG 2014 | DOI: 10.1002/cphc.201402335

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      Diamondoid biosensor: Diamondoids, small amine-modified diamond-like cages, can probe DNA molecules and identify the type (purine or pyrimidine) of nucleobase. Diamondoids can potentially be used to functionalize a biosensing device, scan along the DNA, and, based on the specific frontier orbitals as shown in the figure, read out the DNA nucleobases.

    5. Supramolecular Interactions of Nonsteroidal Anti-inflammatory Drug in Nanochannels of Molecular Containers: A Spectroscopic, Thermogravimetric and Microscopic Investigation

      Banibrata Maity, Aninda Chatterjee, Sayeed Ashique Ahmed and Dr. Debabrata Seth

      Article first published online: 21 AUG 2014 | DOI: 10.1002/cphc.201402419

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      Be my guest! Supramolecular host–guest complexation between the nonsteroidal anti-inflammatory drug indomethacin and the nanochannels of different cyclodextrin molecular containers were investigated.

    6. Electrodeposition and Magnetic Characterization of Iron and Iron–Silicon Alloys from the Ionic Liquid 1-Butyl-1-Methylpyrrolidinium Trifluoromethylsulfonate

      Dr. Pulletikurthi Giridhar, Dr. Bernd Weidenfeller, Dr. Sherif Zein El Abedin and Prof. Dr. Frank Endres

      Article first published online: 21 AUG 2014 | DOI: 10.1002/cphc.201402406

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      Knocking down the wall: Cyclic voltammetry of FeCl2+SiCl4 in [Py1,4]TfO is performed, and an investigation into the microstructure and magnetic properties of electrodeposited FeSi alloys is presented.

    7. Modelling Ion-Pair Geometries and Dynamics in a 1-Ethyl-1-methylpyrrolidinium-Based Ion-Conductive Crystal

      Dr. Fangfang Chen, Dr. Haijin Zhu and Prof. Dr. Maria Forsyth

      Article first published online: 21 AUG 2014 | DOI: 10.1002/cphc.201402394

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      Going through the motions: Temperature-dependent cation motions are predicted in different plastic crystals phases (see picture). Pseudorotation in the pyrrolidine ring is first expected to involve a phase IV to III transition. The partial rotation from one local minimum to another presents next-level dynamics. The free rotation of the cation is activated as the temperature increases, which may be accompanied by reorientation of the ethyl group.

    8. Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First-Principles Simulation Study

      Dr. Artur Nenov, Dr. Silvio a Beccara, Dr. Ivan Rivalta, Prof. Giulio Cerullo, Prof. Shaul Mukamel and Prof. Marco Garavelli

      Article first published online: 21 AUG 2014 | DOI: 10.1002/cphc.201402374

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      On the right track: A quantum mechanics/molecular mechanics approach, coupled to the dominant reaction pathway dynamics method, is used to resolve aromatic interactions during protein folding/unfolding by means of simulations of nonlinear electronic spectra of a model system. Quartic splittings, which correlate to the interchromophore distance, are resolved.

    9. Boron-Double-Ring Sheet, Fullerene, and Nanotubes: Potential Hydrogen Storage Materials

      Dr. Jing Wang, Dr. Hui-Yan Zhao and Prof. Ying Liu

      Article first published online: 19 AUG 2014 | DOI: 10.1002/cphc.201402418

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      The new graphene: Similar to carbon-based graphene, fullerenes, and carbon nanotubes, boron atoms can form sheets, fullerenes, and nanotubes. Here, several of these novel boron structures—all based on the boron double ring—are investigated. The nanostructures are interesting potential candidates for hydrogen storage.

    10. Stability of Noble-Gas-Bound SiH3+ Clusters

      Sudip Pan, Diego Moreno, Prof. Gabriel Merino and Prof. Pratim K. Chattaraj

      Article first published online: 19 AUG 2014 | DOI: 10.1002/cphc.201402370

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      A noble cause: The stability of noble gas (Ng)-bound SiH3+ clusters is explored by ab initio computations. SiH3+ can bind Ng atoms effectively. The Si[BOND]Xe/Rn bonds are covalent in nature. Both the −I (inductive) effect of the X atoms and X[RIGHTWARDS ARROW]Si π-backbonding have decisive roles in the Ng binding ability of SiX3+ (X=F, Cl, Br).

    11. You have full text access to this OnlineOpen article
      Photoinduced Energy Transfer from Poly(N-vinylcarbazole) to Tricarbonylchloro-(2,2′-bipyridyl)rhenium(I)

      Dr. Engelbert Portenkirchner, Dogukan Apaydin, Gottfried Aufischer, Dr. Marek Havlicek, Prof. Matthew White, Prof. Markus Clark Scharber and Prof. Niyazi Serdar Sariciftci

      Article first published online: 19 AUG 2014 | DOI: 10.1002/cphc.201402269

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      CO2 snaps? The photoinduced energy transfer from poly(N-vinylcarbazole), as a donor material, to fac-(2,2′-bipyridyl)Re(CO)3Cl, as a catalyst acceptor, is investigated in terms of a potential application towards CO2 reduction. Photoluminescence quenching experiments reveal dynamic quenching through resonance energy transfer in solid donor/acceptor mixtures and in solid/liquid systems.

    12. Investigating the Thermostability of Succinate: Quinone Oxidoreductase Enzymes by Direct Electrochemistry at SWNTs-Modified Electrodes and FTIR Spectroscopy

      Dr. Frederic Melin, Dr. Mohamed R. Noor, Dr. Elodie Pardieu, Dr. Fouzia Boulmedais, Prof. Dr. Florian Banhart, Dr. Gary Cecchini, Prof. Tewfik Soulimane and Prof. Dr. Petra Hellwig

      Article first published online: 19 AUG 2014 | DOI: 10.1002/cphc.201402354

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      Achieving thermostability: Comparative studies of the succinate: quinone reductases from mesophilic bacterium Escherichia coli and thermophilic bacterium Thermus thermophilus by using electrochemistry and infrared spectroscopy allow a discussion of the possible structural factors that contribute to the temperature-dependent activity of the studied bacteria (see figure).

  2. Reviews

    1. Transport Phenomena in Nanoporous Materials

      Prof. Jörg Kärger

      Article first published online: 14 AUG 2014 | DOI: 10.1002/cphc.201402340

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      Transport phenomena in nanoporous materials are, in the most direct way, explored by recording molecular fluxes (picture, left) and diffusion pathways (picture, right) within the individual particles/crystallites of the material. The review introduces into the fundamentals and most recent developments of these (microscopic) measuring techniques and into the wealth of information thus attainable for fundamental research and technological application.

  3. Articles

    1. Triphenylamine Groups Improve Blocking Behavior of Phenoxazine Dyes in Cobalt-Electrolyte-Based Dye-Sensitized Solar Cells

      Dr. Yan Hao, Dr. Haining Tian, Dr. Jiayan Cong, Wenxing Yang, Ilkay Bora, Prof. Licheng Sun, Dr. Gerrit Boschloo and Prof. Anders Hagfeldt

      Article first published online: 14 AUG 2014 | DOI: 10.1002/cphc.201402474

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      Anything but sunblock: Triphenylamine groups give a good blocking effect in phenoxazine dyes for cobalt electrolyte-based dye-sensitized solar cells.

  4. Communications

    1. Polysaccharide-Based Oleogels Prepared with an Emulsion-Templated Approach

      Prof. Ashok R. Patel, Nick Cludts, Mohd Dona Bin Sintang, Benny Lewille, Ans Lesaffer and Prof. Koen Dewettinck

      Article first published online: 14 AUG 2014 | DOI: 10.1002/cphc.201402473

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      Well gel: Oleogel (containing >97 wt % liquid oil) are prepared by using a polysaccharide-based emulsion as a template. The obtained oleogel has a unique microstructure and interesting rheological properties, including a high gel strength, shear sensitivity, good thixotropic recovery, and good thermostability.

  5. Articles

    1. Nuclear Magnetic Resonance Relaxivities: Investigations of Ultrahigh-Spin Lanthanide Clusters from 10 MHz to 1.4 GHz

      Julyana R. Machado, Dr. Amer Baniodeh, Prof. Dr. Annie K. Powell, Prof. Dr. Burkhard Luy, Dr. Steffen Krämer and Dr. Gisela Guthausen

      Article first published online: 12 AUG 2014 | DOI: 10.1002/cphc.201402318

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      NMRD on ultrahigh-spin coordinative clusters: The nuclear magnetic resonance relaxivities of aqueous solutions containing FeIII10DyIII10 ultrahigh-spin cyclic coordinative clusters have been investigated by using a wide range of 1H Larmor frequencies up to 1.4 GHz. These single molecule magnets show interesting relaxivities and can be considered as potential relaxation agents in high-field magnetic resonance imaging.

    2. Locked-in Biomimetic Surface Gradients that are Tunable in Size, Density and Functionalization

      Dr. Sven O. Krabbenborg, Jasper van Weerd, Prof. Dr. Marcel Karperien, Prof. Dr. Pascal Jonkheijm and Prof. Dr. Jurriaan Huskens

      Article first published online: 12 AUG 2014 | DOI: 10.1002/cphc.201402509

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      Locked-in supported lipid bilayer gradients are prepared that can be tuned in space, time and density in a process controlling lipid phase behaviour, electric field and temperature. Stable gradients of functional serine and biotin terminated lipids are shown. Covalent and non-covalent chemical modification is used to fabricate gradients of FITC, hexahistidine-tagged proteins and SAv/biotin.

    3. N-Alkylacylamides in Thin Films Display Infrared Spectra of 310-, α-, and π-Helices with Visible Static and Dynamic Growth Phases

      Prof. Edward M. Kosower and Galina Borz

      Article first published online: 11 AUG 2014 | DOI: 10.1002/cphc.201402325

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      Decline and fall of the Helical empire: Infrared spectroscopy of peptide models reveals helix formation relevant to the behavior of biological molecules. Remarkable properties are demonstrated to belong to minimal peptide oligomers that are held together by hydrogen bonds alone, that is, a new species is identified in the pantheon of peptide forms.

    4. N-Methyl-trimethylacetamide in Thin Films Displays Infrared Spectra of π-Helices, with Visible Static and Dynamic Growth Phases, and then a β-Sheet

      Prof. Edward M. Kosower, Galina Borz, Prof. Israel Goldberg and Natalya Ermakov

      Article first published online: 11 AUG 2014 | DOI: 10.1002/cphc.201402326

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      Growth spurt: Increasing the size of the acyl group in a simple peptide model (N-methyl-acylamide) favors the formation of more open helices such as the π-helix. Sudden changes in spectroscopic data reveal that a crystalline π-helix can be formed, and a succession of further changes leads to a quasiplanar π-form. Independently, a planar β-sheet form is also obtained.

    5. Theoretical Modeling of Low-Energy Electronic Absorption Bands in Reduced Cobaloximes

      Dr. Anirban Bhattacharjee, Dr. Murielle Chavarot-Kerlidou, Prof. Jillian L. Dempsey, Prof. Harry B. Gray, Dr. Etsuko Fujita, Dr. James T. Muckerman, Prof. Marc Fontecave, Dr. Vincent Artero, Prof. Guilherme M. Arantes and Dr. Martin J. Field

      Article first published online: 11 AUG 2014 | DOI: 10.1002/cphc.201402398

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      Hydrogen anyone? Cobaloximes are efficient hydrogen-evolving catalysts. A combined experimental and theoretical study provides insights into the electronic structures of the reduced forms of these compounds which are known to be important intermediates in their catalytic cycles.

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