ChemPhysChem

Cover image for Vol. 11 Issue 5

April 6, 2010

Volume 11, Issue 5

Pages 925–1070

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
    1. Cover Picture: Melting of Crystals in Two Dimensions (ChemPhysChem 5/2010) (page 925)

      Urs Gasser, Christoph Eisenmann, Georg Maret and Peter Keim

      Version of Record online: 30 MAR 2010 | DOI: 10.1002/cphc.201090021

      Thumbnail image of graphical abstract

      Artist's view of a two-dimensional (2D) hexagonal crystal containing dislocations, which are given by pairs of five- (red) and seven-fold (green) coordinated particles, as described by U. Gasser et al. on p. 963. As highlighted by the red lines, two lattice lines end at each dislocation. The appearance of such topological defects in the crystal causes the melting of 2D crystals, as was predicted in the 1970s by Kosterlitz, Thouless, Halperin, Nelson, and Young. Close to the melting transition, dislocations appear in pairs and their unbinding is the cause for the transition from the crystal to the hexatic phase with quasi-long-range orientational but short-range translational order. At a higher temperature, dislocations unbind into disclinations, isolated five- or seven-fold coordinated particles. In this second transition, the orientational order is lost and the system reaches the isotropic liquid state. The first conclusive experimental evidence for these two transitions from the 2D crystal to the liquid was obtained from imaging experiments on colloidal model systems.

  2. Inside Cover

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
    1. Inside Cover: Site-Specific DNA-Controlled Fusion of Single Lipid Vesicles to Supported Lipid Bilayers (ChemPhysChem 5/2010) (page 926)

      Lisa Simonsson, Peter Jönsson, Gudrun Stengel and Fredrik Höök

      Version of Record online: 30 MAR 2010 | DOI: 10.1002/cphc.201090022

      Thumbnail image of graphical abstract

      Site-specific DNA-programmed single-vesicle fusion to a supported lipid bilayer is demonstrated by F. Höök et al. on p. 1011. Cholesterol-modified DNA zippers are used to constitute a reduced model system of the SNARE–protein complex controlling synaptic vesicle fusion.

  3. Graphical Abstract

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
  4. News

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
  5. Review

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
    1. Multiferroic Domain Boundaries as Active Memory Devices: Trajectories Towards Domain Boundary Engineering (pages 940–950)

      Ekhard K. H. Salje

      Version of Record online: 9 MAR 2010 | DOI: 10.1002/cphc.200900943

      Thumbnail image of graphical abstract

      Twin boundaries in ferroelastics and curved interfaces [see images of WO3, the twin boundaries are highly conducting (left) while the piezoelectric response collapses in the walls (right)] act as multiferroic structural elements. Properties include electric dipoles in a non-polar matrix, the appearance of superconductivity in twin boundaries and the catalytic reaction of hydrous species in interfaces of radiation damaged material.

  6. Minireviews

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
    1. In-situ Scanning Transmission X-Ray Microscopy of Catalytic Solids and Related Nanomaterials (pages 951–962)

      Frank M. F. de Groot, Emiel de Smit, Matti M. van Schooneveld, Luis R. Aramburo and Bert M. Weckhuysen

      Version of Record online: 19 MAR 2010 | DOI: 10.1002/cphc.200901023

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      Bright future: Sub-micron chemical imaging using in-situ STXM techniques (see figure) enables both organic and inorganic nanomaterials that contain elemental or chemical contrast on the 20 nm length scale to be studied under reaction conditions. This applies to heterogeneous catalysis, fuel cells, batteries and hydrogen storage materials.

    2. Melting of Crystals in Two Dimensions (pages 963–970)

      Urs Gasser, Christoph Eisenmann, Georg Maret and Peter Keim

      Version of Record online: 22 JAN 2010 | DOI: 10.1002/cphc.200900755

      Thumbnail image of graphical abstract

      The first experimental proof of crystal melting according to the theory of Kosterlitz, Thouless, Halperin, Nelson, and Young (KTHNY theory) in 2D has been obtained form video microscopy experiments of magnetic colloids with dipole–dipole interaction confined to a 2D surface. As expected from this theory, crystal melting due to the unbinding of pairs of topological defects is verified (see picture).

  7. Highlights

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
    1. The “Wiggling and Jiggling of Atoms” Leading to Excited-State Proton Transfer in Green Fluorescent Protein (pages 971–974)

      G. Ulrich Nienhaus

      Version of Record online: 8 MAR 2010 | DOI: 10.1002/cphc.200901016

      Thumbnail image of graphical abstract

      Shaking off the blues: Femtosecond stimulated Raman spectroscopy reveals vibrational dynamics accompanying excited state deprotonation of the GFP chromophore, which causes a color change from blue to green (see picture).

    2. Complex Chirality at the Nanoscale (pages 975–977)

      Jan P. F. Lagerwall and Frank Giesselmann

      Version of Record online: 16 MAR 2010 | DOI: 10.1002/cphc.200000055

      Thumbnail image of graphical abstract

      A light in the dark: The structure of the mysterious dark conglomerate (DC) phase—probably the first example of chiral segregation in an isotropic fluid smectic—was recently elucidated by an international research team. The new findings (see picture, reprinted with permission and reproduced from Science2009, 325, 452–456) are carefully discussed in this Highlight.

    3. Molecular Simulations of Methane Hydrate Nucleation (pages 978–980)

      John A. Ripmeester and Saman Alavi

      Version of Record online: 28 FEB 2010 | DOI: 10.1002/cphc.201000024

      Thumbnail image of graphical abstract

      Microsecond molecular dynamics simulations of methane hydrate formation shows that hydrate cage formation occurs after a collective clustering of methane molecules. The water molecules in the vicinity of the methane cluster rearrange and form dodecahedral hydrate cages. Agglomeration and annealing of the cages leads to the formation of the bulk hydrate phase (see picture).

  8. Concept

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
    1. Magnetically Deformable Liquid Mirrors from Surface Films of Silver Nanoparticles (pages 981–986)

      Anna M. Ritcey and Ermanno Borra

      Version of Record online: 28 JAN 2010 | DOI: 10.1002/cphc.200900688

      Thumbnail image of graphical abstract

      A unique optical element: A magnetically deformable mirror composed of a reflective monolayer of silver nanoparticles deposited at the surface of a ferrofluid is presented (see picture). Recent advances in the optimization of the chemical components of the mirror to achieve better reflectivity, deformability and long-term stability are described. The mirror has clearly passed the proof-of-concept stage, but challenges still remain.

  9. Communications

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
    1. High-Energy Long-Lived Excited States in DNA Double Strands (pages 987–989)

      Ignacio Vayá, François-Alexandre Miannay, Thomas Gustavsson and Dimitra Markovitsi

      Version of Record online: 9 MAR 2010 | DOI: 10.1002/cphc.201000027

      Thumbnail image of graphical abstract

      Dark DNA light: “Dark” excited states of alternating GC double strands emit fluorescence at 4000 cm−1 higher energy (see spectrum) and with four orders of magnitude longer lifetime compared to the bright ππ* states. Such high-energy long-lived excited states are expected to play a key role in the DNA photoreactivity associated with the appearance of carcinogenic mutations.

    2. Are 5f Electrons Really Active in Organoactinide Reactivity? Some Insights from DFT Studies (pages 990–994)

      Ludovic Castro, Ahmed Yahia and Laurent Maron

      Version of Record online: 8 MAR 2010 | DOI: 10.1002/cphc.200901035

      Thumbnail image of graphical abstract

      Rare birds: C[BOND]H activation of methane and ethylene insertion with different actinide-containing complexes (see picture for an example) are presented. Based on the calculations of the reaction energy pathways, it is shown that the 5f electrons are not really active in the reactivity of organoactinide complexes.

    3. Temperature Dependence of the Formation of Graphene and Subsurface Carbon on Ru(0001) and Its Effect on Surface Reactivity (pages 995–998)

      Yi Cui, Qiang Fu, Dali Tan and Xinhe Bao

      Version of Record online: 5 MAR 2010 | DOI: 10.1002/cphc.200901034

      Thumbnail image of graphical abstract

      Switching the surface structure: The formation of graphene and subsurface carbon on Ru(0001) is controlled by regulating the annealing temperature (see picture). A low annealing temperature (LT) drives bulk dissolved carbon onto the surface to form graphene. At high temperatures (HT), surface graphene carbon can diffuse into the subsurface or move into the bulk of the metal.

    4. In situ High-Field Dynamic Nuclear Polarization—Direct and Indirect Polarization of 13C nuclei (pages 999–1001)

      Thorsten Maly, Anne-Frances Miller and Robert G. Griffin

      Version of Record online: 18 FEB 2010 | DOI: 10.1002/cphc.200900908

      Thumbnail image of graphical abstract

      In situ High-Field Dynamic Nuclear Polarization: Direct and indirect polarization of 13C nuclei by DNP is investigated (see graphic). The field-dependent enhancement profile for both processes are investigated and the bulk polarization build-up time constants τBC and τBH for direct and indirect 13C polarization are compared.

    5. Experimental and Theoretical Study of a Gold(I) Aminonitrene Complex in the Gas Phase (pages 1002–1005)

      Alexey Fedorov, Laurent Batiste, Erik P. A. Couzijn and Peter Chen

      Version of Record online: 19 MAR 2010 | DOI: 10.1002/cphc.201000063

      Thumbnail image of graphical abstract

      How strong are you? It takes about 45 kcal mol−1 to form a gold dimethylaminonitrene complex in the gas phase via N[BOND]P bond dissociation and 51 kcal mol−1 to break its Au[BOND]N bond (see figure). A screening of density functionals identified the M06 family to be the best in reproducing the observed thermochemistry.

    6. Generation of Highly Damaging H2O+ Radicals by Inner Valence Shell Ionization of Water (pages 1006–1009)

      Oriol Vendrell, Spas D. Stoychev and Lorenz S. Cederbaum

      Version of Record online: 9 FEB 2010 | DOI: 10.1002/cphc.201000034

      Thumbnail image of graphical abstract

      Bye bye friend: Water molecules surround all biological structures. Inner-valence ionization of water, followed by intermolecular Coulombic decay, generates two water radical cations in close proximity. The two fragments strongly repel each other and quickly separate, gaining a large amount of translational and rotational energy (see graphic).

  10. Articles

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
    1. Site-Specific DNA-Controlled Fusion of Single Lipid Vesicles to Supported Lipid Bilayers (pages 1011–1017)

      Lisa Simonsson, Peter Jönsson, Gudrun Stengel and Fredrik Höök

      Version of Record online: 18 MAR 2010 | DOI: 10.1002/cphc.200901010

      Thumbnail image of graphical abstract

      Snapshots of a single vesicle fusion event (see picture) occurring in a DNA-programmed site-specific manner are captured after addition of Ca2+ to lipid vesicles tethered to a supported lipid bilayer by means of cholesterol-modified DNA zippers that constitute a reduced model system of the SNARE–protein complex controlling synaptic vesicle fusion (SNARE=soluble N-ethylmaleimide-sensitive factor attachment protein receptors).

    2. How Does the TransCis Photoisomerization of Azobenzene Take Place in Organic Solvents? (pages 1018–1028)

      Giustiniano Tiberio, Luca Muccioli, Roberto Berardi and Claudio Zannoni

      Version of Record online: 16 MAR 2010 | DOI: 10.1002/cphc.200900652

      Thumbnail image of graphical abstract

      The path to conversion: The equation image photoisomerization of azobenzene in a vacuum and in solvents is studied by a modified molecular dynamics simulation adopting an ab initio torsion–inversion force field in the ground and excited states, which allows for electronic transitions and decay to the fundamental state (see picture). A mixed torsional–inversion mechanism is the most important in solvents.

    3. Tailored Porous Silicon Microparticles: Fabrication and Properties (pages 1029–1035)

      Ciro Chiappini, Ennio Tasciotti, Jean R. Fakhoury, Daniel Fine, Lee Pullan, Young-Chung Wang, Lianfeng Fu, Xuewu Liu and Mauro Ferrari

      Version of Record online: 16 FEB 2010 | DOI: 10.1002/cphc.200900914

      Thumbnail image of graphical abstract

      Fine tailoring: Monodisperse porous silicon microparticles with controlled physical characteristics are fabricated (see picture). Their size, shape, aspect ratio, and porous structure are tuned over wide ranges. Their porous structure is optimized for the loading of CdSe quantum dots and loading is assessed by electron microscopy. Such microparticles can be tailored for the delivery of nanomedical therapeutics.

    4. Construction of Energy Transfer Systems within Nanosized Polymer Micelles and their Fluorescence Modulation Properties (pages 1036–1043)

      Jian Chen, Fang Zeng and Shuizhu Wu

      Version of Record online: 24 FEB 2010 | DOI: 10.1002/cphc.200900999

      Thumbnail image of graphical abstract

      Turn on or off the light in micelles: Fluorescence emission can be turned on or off through the energy transfer taking place from the donor (NBD dye) which resides at the core/shell interface to the acceptor (spiropyran) which resides at the micelle core (see figure). The core/shell micelle-based fluorescence energy transfer (FRET) system has been created to study the energy transfer behaviour of the heterogeneous system.

    5. Role of the Surfactant Structure in the Behavior of Hydrophobic Ionic Liquids within Aqueous Micellar Solutions (pages 1044–1052)

      Kamalakanta Behera, Vinod Kumar and Siddharth Pandey

      Version of Record online: 22 FEB 2010 | DOI: 10.1002/cphc.200900982

      Thumbnail image of graphical abstract

      Oily media: The effects of zwitterionic, nonionic, and anionic surfactants on the properties of aqueous micellar solutions containing the “hydrophobic” ionic liquid (IL) 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) are examined (see picture; the symbols represent different surfactants). The possibility of forming oil-in-water microemulsions in which the IL acts as the “oil” phase is assessed.

    6. Adsorption of Proline and Glycine on the TiO2(110) Surface: A Density Functional Theory Study (pages 1053–1061)

      Ralf Tonner

      Version of Record online: 18 MAR 2010 | DOI: 10.1002/cphc.200900902

      Thumbnail image of graphical abstract

      The optimal adsorption modes of the amino acids glycine and proline are determined on the TiO2(110) surface with the aid of density functional theory. Hydrogen bonds are found to be crucial for achieving consensus with experimental results. The vibrational frequencies for the modes presented are derived. Control of the computational parameters is necessary for accurate outcomes.

    7. Theoretical Characterization of Charge Transport in One-Dimensional Collinear Arrays of Organic Conjugated Molecules (pages 1062–1068)

      Lucas Viani, Yoann Olivier, Stavros Athanasopoulos, Demetrio A. da Silva Filho, Jürg Hulliger, Jean-Luc Brédas, Johannes Gierschner and Jérôme Cornil

      Version of Record online: 9 MAR 2010 | DOI: 10.1002/cphc.200900892

      Thumbnail image of graphical abstract

      Molecular parameters such as the symmetry of the molecule, the presence of terminal substituents, and the molecular size govern charge transport in the hopping regime in 1D arrays formed inside the channels of a host matrix (see figure). It is found that a strong localization of the molecular orbitals in push–pull compounds is detrimental to the charge transport properties.

  11. Preview

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. News
    6. Review
    7. Minireviews
    8. Highlights
    9. Concept
    10. Communications
    11. Articles
    12. Preview
    1. Preview: ChemPhysChem 6/2010 (page 1070)

      Version of Record online: 30 MAR 2010 | DOI: 10.1002/cphc.201090020

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