ChemPhysChem

Cover image for Vol. 13 Issue 11

August 6, 2012

Volume 13, Issue 11

Pages 2617–2803

  1. Cover Picture

    1. Top of page
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    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Highlight
    8. Concept
    9. Communications
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    1. Cover Picture: Surface-Attached Polyhistidine-Tag Proteins Characterized by FTIR Difference Spectroscopy (ChemPhysChem 11/2012) (page 2617)

      Philipp Pinkerneil, Dr. Jörn Güldenhaupt, Prof. Dr. Klaus Gerwert and Dr. habil. Carsten Kötting

      Version of Record online: 27 JUL 2012 | DOI: 10.1002/cphc.201290051

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      ATR-FTIR spectroscopy monitors protein reactions and interactions of monolayers at the atomic level. On p. 2649 K. Gerwert, C. Kötting et al. describe a method to immobilize proteins by means of a polyhistidine-tag and nitrilotriacetic-acid-modified lipids. Because polyhistidine tags are often used for protein purification, modified proteins are easy to access. This makes the method a universal technique for many soluble proteins. The setup allows the investigation of the secondary structure, orientation, reaction mechanisms and protein–ligand or protein–protein interactions.

  2. Inside Cover

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    3. Inside Cover
    4. Graphical Abstract
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    1. Inside Cover: Directionality of Dihydrogen Bonds: The Role of Transition Metal Atoms (ChemPhysChem 11/2012) (page 2618)

      Dr. Oleg A. Filippov, Dr. Natalia V. Belkova, Prof. Lina M. Epstein, Prof. Agusti Lledos and Prof. Elena S. Shubina

      Version of Record online: 27 JUL 2012 | DOI: 10.1002/cphc.201290052

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      Is dihydrogen bonding linear or bifurcated? On p. 2677, A. Lledos, E. S. Shubina et al. show that it depends on the metal. The M⋅⋅⋅HA interaction impact increases down the group and allows one to describe the MH⋅⋅⋅HA interaction as a bifurcated hydrogen bond, especially for 5d metal hydrides.

  3. Graphical Abstract

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  4. Corrigendum

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    1. You have free access to this content
      Corrigendum: Spin–Spin Artificial DNA Intercalated with Silver Cations: Theoretical Prediction (page 2627)

      Małgorzata Kauch and Dr. Magdalena Pecul

      Version of Record online: 27 JUL 2012 | DOI: 10.1002/cphc.201200504

      This article corrects:

      Spin–Spin Artificial DNA Intercalated with Silver Cations: Theoretical Prediction

      Vol. 13, Issue 5, 1332–1338, Version of Record online: 2 MAR 2012

  5. News

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    1. Research with Impact (page 2635)

      Version of Record online: 18 JUL 2012 | DOI: 10.1002/cphc.201200549

  6. Highlight

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    1. Determining the Structure of L-Arginine and Other Organic Molecules (pages 2637–2638)

      Prof., Sir John M. Thomas

      Version of Record online: 11 JUN 2012 | DOI: 10.1002/cphc.201200322

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      The time is now: Very real opportunities that now exist for determining the crystal structures of organic molecules using sophisticated techniques for the analysis of powder X-ray diffraction data are highlighted herein. The application of these techniques has recently led to the first crystal structure determination reported for L-arginine.

  7. Concept

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    1. Plasmonic Trapping with a Gold Nanopillar (pages 2639–2648)

      Dr. Kai Wang and Dr. Kenneth B. Crozier

      Version of Record online: 23 MAY 2012 | DOI: 10.1002/cphc.201200121

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      Conventional optical tweezers, in which lasers are focused with microscope objectives, are limited in the trapping force they can exert on an object for a given laser power. In this Concept, the authors review the fundamentals of optical tweezers and describe an optical nanotweezer (see picture) that exceeds the performance limitations of conventional tweezers while avoiding thermal effects with a heat-sinking approach.

  8. Communications

    1. Top of page
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      Surface-Attached Polyhistidine-Tag Proteins Characterized by FTIR Difference Spectroscopy (pages 2649–2653)

      Philipp Pinkerneil, Dr. Jörn Güldenhaupt, Prof. Dr. Klaus Gerwert and Dr. habil. Carsten Kötting

      Version of Record online: 15 JUN 2012 | DOI: 10.1002/cphc.201200358

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      A universal label-free method for the spectroscopic investigation of polyhistidine-tagged proteins is presented. A solid supported lipid bilayer (SSLB, picture) containing nitrilotriacetic-acid-modified lipids is attached on top of a germanium attenuated total reflection crystal by hydrophilic interactions. Any His tag-modified protein can be immobilized and investigated by FTIR spectroscopy.

    2. A Mild One-Step Process from Graphene Oxide and Cd2+ to a Graphene–CdSe Quantum Dot Nanocomposite with Enhanced Photoelectric Properties (pages 2654–2658)

      Xiao-Yun Yu, Zhao-He Chen, Prof. Dai-Bin Kuang and Prof. Cheng-Yong Su

      Version of Record online: 22 MAY 2012 | DOI: 10.1002/cphc.201200179

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      Good connections: A graphene–CdSe quantum dot (QD) nanocomposite is prepared through a one-step hydrothermal method using graphene oxide (GO), Cd(CH3COO)2, Na2SeSO3, and aminoethanethiol (AET). The bifunctional AET acts not only as a covalent linker but also as a reductant to transform GO into graphene. The photoactive graphene–QD nanocomposite exhibits a significantly higher photocurrent compared to the QDs, GO or the graphene substrate under illumination.

    3. End-to-End Distance Determination in a Cucurbit[6]uril-Based Rotaxane by PELDOR Spectroscopy (pages 2659–2661)

      Dr. Roberta Pievo, Dr. Costanza Casati, Dr. Paola Franchi, Prof. Dr. Elisabetta Mezzina, Prof. Dr. Marina Bennati and Prof. Marco Lucarini

      Version of Record online: 12 JUN 2012 | DOI: 10.1002/cphc.201200103

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      Distance determination: The use of pulsed electron–electron double resonance (PELDOR/DEER) spectroscopy to determine the distances among the end units of a paramagnetic cucurbit[6]uril-based rotaxane is demonstrated.

    4. Electric Field Control of the Spin State in Mixed-Valence Magnetic Molecules (pages 2662–2665)

      Cristian Bosch-Serrano, Dr. Juan M. Clemente-Juan, Prof. Eugenio Coronado, Dr. Alejandro Gaita-Ariño, Prof. Andrew Palii and Prof. Boris Tsukerblat

      Version of Record online: 11 JUN 2012 | DOI: 10.1002/cphc.201200383

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      Multiferroic molecules for spintronics: In a many-electron mixed-valence dimer with dominant double exchange, as compared with antiferromagnetic superexchange, the electric field is shown to induce a spin crossover from the ferromagnetic spin state to the antiferromagnetic one. This leads to a sharp decrease in the magnetic moment of the molecule and a simultaneous stepwise increase in the electric dipole (see figure).

    5. Online Monitoring of Heterogeneous Polymerizations in Supercritical Carbon Dioxide by Raman Spectroscopy (pages 2666–2670)

      Dr. Bruno Grignard, Prof. Bernard Gilbert, Cedric Malherbe, Prof. Christine Jérôme and Dr. Christophe Detrembleur

      Version of Record online: 14 JUN 2012 | DOI: 10.1002/cphc.201200373

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      A novel setup is described to monitor the kinetics of homogeneous and heterogeneous reactions online using Raman spectroscopy under high pressure. The arrangement is based on a high-pressure reactor equipped with a sapphire window in combination with a mobile probe that allows the collection of the back-scattered Raman signal at 360°.

    6. Photoswitched Protein Adsorption on Electrostatically Self-Assembled Azobenzene Films (pages 2671–2675)

      Jian Zhang, Te Hu, Yibiao Liu, Yanxuan Ma, Jie Dong, Dr. Liping Xu, Prof. Dr. Yudong Zheng, Prof. Dr. Huai Yang and Prof. Dr. Guojie Wang

      Version of Record online: 22 MAY 2012 | DOI: 10.1002/cphc.201200231

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      Photoresponsive polymeric films fabricated by a facile electrostatic self-assembly technique are utilized to switch protein adsorption by light irradiation. The introduction of SiO2 nanoparticles on the substrate results in a large reversible change of both wettability and protein adsorption.

  9. Articles

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Highlight
    8. Concept
    9. Communications
    10. Articles
    11. Preview
    1. Directionality of Dihydrogen Bonds: The Role of Transition Metal Atoms (pages 2677–2687)

      Dr. Oleg A. Filippov, Dr. Natalia V. Belkova, Prof. Lina M. Epstein, Prof. Agusti Lledos and Prof. Elena S. Shubina

      Version of Record online: 5 JUN 2012 | DOI: 10.1002/cphc.201200097

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      Classical or bifurcate? Metal involvement in dihydrogen bonding (DHB) is studied theoretically for two series of group 8 metal hydride complexes in comparison to hydride-only DHB of [Cp2NbH3] and classical H-bonds. The M⋅⋅⋅HA interaction increases on descending the group, and so the MH⋅⋅⋅HA system can be regarded as a bifurcate H-bond (see picture).

    2. Reactions of Doubly Ionized Benzene with Nitrogen and Water: A Nitrogen-Mediated Entry into Superacid Chemistry (pages 2688–2698)

      Dr. Christopher J. Shaffer, Dr. Detlef Schröder, Dr. Christian Alcaraz, Dr. Ján Žabka and Dr. Emilie-Laure Zins

      Version of Record online: 12 JUN 2012 | DOI: 10.1002/cphc.201200313

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      From superacids to nonclassical structures: The benzene dication is found to undergo association with dinitrogen to form a ring-protonated phenyl diazonium ion (see picture). Experiments using synchrotron radiation reveal a reaction with background water mediated by the presence of nitrogen, which is suggested to involve the long-elusive nonclassical pyramidal structure of C6H62+.

    3. Surface-Anchored MOF-Based Photonic Antennae (pages 2699–2702)

      Huayna Cerqueira Streit, Dr. Matthias Adlung, Dr. Osama Shekhah, Dr. Xia Stammer, Hasan Kemal Arslan, Olexandra Zybaylo, Tatjana Ladnorg, Dr. Hartmut Gliemann, Prof. Dr. Matthias Franzreb, Prof. Dr. Christof Wöll and Prof. Dr. Claudia Wickleder

      Version of Record online: 14 JUN 2012 | DOI: 10.1002/cphc.201200262

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      The optical properties of HKUST-1 MOFs before and after loading a Eu3+ complex are analysed with the aid of luminescence spectroscopy (see graphic). The presence of an effective energy transfer between the HKUST-1 framework and the Eu3+ centers was found as is described herein.

    4. Efficient Excitation-Energy Transfer in Ion-Based Organic Nanoparticles with Versatile Tunability of the Fluorescence Colours (pages 2703–2710)

      Dr. Hiroshi Yao and Koji Ashiba

      Version of Record online: 5 JUN 2012 | DOI: 10.1002/cphc.201200191

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      Colour-tune: Ion-based organic nanoparticles consisting of thiacyanine and ethidium dyes exhibit an efficient excitation-energy transfer from thiacyanine (donor) to ethidium (acceptor), resulting in a strong fluorescence with tunable colour.

    5. Interfacial Electron Transfer from CdSe/ZnS Quantum Dots to TiO2 Nanoparticles: Size Dependence at the Single-Molecule Level (pages 2711–2720)

      Chun-Li Chang, Dr. Po-Yu Tsai, Yu-pin Chang and Prof. King-Chuen Lin

      Version of Record online: 10 JUL 2012 | DOI: 10.1002/cphc.201200037

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      Going dotty: Electron transfer kinetics of CdSe/ZnS core/shell quantum dots (QDs) on bare coverslips and on TiO2 nanoparticle coated thin films have been investigated at the single-molecule level. As the size of the QDs changes, the shift in the valence band (VB) energy is less significant than the shift in the conduction band (CB) energy.

    6. EPR Studies on Branched High-Spin Arylnitrenes (pages 2721–2728)

      Dr. Sergei V. Chapyshev, Dr. Denis V. Korchagin, Dr. Mikhail F. Budyka, Dr. Tatiana N. Gavrishova, Dr. Patrik Neuhaus and Prof. Dr. Wolfram Sander

      Version of Record online: 12 JUN 2012 | DOI: 10.1002/cphc.201200200

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      Branched high-spin nitrenes formed during the photolysis of 2,4,6-tris(4′-azidophenyl)pyridine are studied with EPR spectroscopy. Despite large distances between the nitrene units and extended π systems, such nitrenes show large parameters D. Moderate E strain effects in EPR spectra of the nitrenes indicate rather narrow distributions of their rotamers with slightly different angles Θ and parameters D and E.

    7. Rapid Estimation of Thermodynamic Parameters and Vapor Pressures of Volatile Materials at Nanoscale (pages 2729–2733)

      Dr. Walid M. Hikal, Jeffrey T. Paden and Dr. Brandon L. Weeks

      Version of Record online: 11 JUN 2012 | DOI: 10.1002/cphc.201200355

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      Heat up: Absorbance spectroscopy is used to non-isothermally determine the Arrhenius parameters of TNT at nanoscale accurately without the need of modeling (see picture). In addition, we show that the spectrometer can be calibrated to determine the vapor pressures and heats of sublimation of TNT under the same conditions.

    8. Microwave-Assisted Modular Fabrication of Nanoscale Luminescent Metal-Organic Framework for Molecular Sensing (pages 2734–2738)

      Dr. Weiting Yang, Dr. Jing Feng, Dr. Shuyan Song and Prof. Dr. Hongjie Zhang

      Version of Record online: 15 JUN 2012 | DOI: 10.1002/cphc.201200265

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      Quenched by acetone: Nanostructural Tb-MOF-76 is synthesized by a microwave-assisted method using amino acids as capping agents. Its characteristic Tb3+ ion emission can be used as a highly sensitive means of detection for acetone molecules (see picture).

    9. DNA Photocleavage by a Cationic BODIPY Dye through Both Singlet Oxygen and Hydroxyl Radical: New Insight into the Photodynamic Mechanism of BODIPYs (pages 2739–2747)

      Dr. Jianguang Wang , Prof. Yuanjun Hou, Dr. Wanhua Lei, Dr. Qianxiong Zhou, Dr. Chao Li, Prof. Baowen Zhang and Prof. Xuesong Wang

      Version of Record online: 22 MAY 2012 | DOI: 10.1002/cphc.201200224

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      New photocleavage mechanism: New cationic BODIPY dye 6 is found, for the first time, to be able to generate singlet oxygen (1O2), superoxide anion radical (O2.−) and hydroxyl radical (.OH) simultaneously on irradiation (λ≥600 nm). Both 1O2 and .OH participate in photocleavage of DNA by this BODIPY dye.

    10. Three Types of Induced Tryptophan Optical Activity Compared in Model Dipeptides: Theory and Experiment (pages 2748–2760)

      Jana Hudecová, Jan Horníček, Dr. Miloš Buděšínský, Dr. Jaroslav Šebestík, Martin Šafařík, Ge Zhang, Dr. Timothy A. Keiderling and Dr. Petr Bouř

      Version of Record online: 15 JUN 2012 | DOI: 10.1002/cphc.201200201

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      Peptides revealed: The tryptophan residue is a sensitive probe in protein structural studies, but its own optical activity can interfere with that of the protein. The chirality is studied in the electronic circular dichroism, vibrational circular dichroism, and Raman optical activity of model dipeptides. The experimental results are related to DFT computations, revealing unique information about the conformational behavior of the peptides (see picture).

    11. Studies on the Solvation Dynamics of Coumarin 153 in 1-Ethyl-3-Methylimidazolium Alkylsulfate Ionic Liquids: Dependence on Alkyl Chain Length (pages 2761–2768)

      Sudhir Kumar Das and Dr. Moloy Sarkar

      Version of Record online: 22 MAY 2012 | DOI: 10.1002/cphc.201200185

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      Blueshifts in steady-state absorption and emission maxima of coumarin 153 on going from 1-ethyl-3-methylimidazolium (EMIM) butyl- through hexyl- to octylsulfate ionic liquids (BSU, HSU, OSU, respectively; see picture) indicates increasing nonpolar character of the microenvironment of the solute with increasing length of the alkyl side chain of the anion.

    12. Intermolecular Interactions in Weak Donor–Acceptor Complexes from Symmetry-Adapted Perturbation and Coupled-Cluster Theory: Tetracyanoethylene–Benzene and Tetracyanoethylene–p-Xylene (pages 2769–2776)

      Dennis Kuchenbecker and Prof. Dr. Georg Jansen

      Version of Record online: 13 JUN 2012 | DOI: 10.1002/cphc.201200164

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      Complexes of tetracyanoethylene with benzene and p-xylene (see picture), often classified as weak electron donor–acceptor complexes, are investigated by a range of quantum chemical methods including intermolecular perturbation theory at the DFT-SAPT level and explicitly correlated coupled-cluster theory at the CCSD(T)-F12 level.

    13. Tuning the Dimensions of ZnO Nanorod Arrays for Application in Hybrid Photovoltaics (pages 2777–2783)

      Dr. Linny Baeten, Dr. Bert Conings, Dr. Jan D'Haen, Dr. Christopher De Dobbelaere, Prof. Dr. An Hardy, Prof. Dr. Jean V. Manca and Prof. Dr. Marlies K. Van Bael

      Version of Record online: 25 MAY 2012 | DOI: 10.1002/cphc.201200102

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      Connecting rods: The consequences of morphological tailoring in the performance of hybrid solar cells are investigated (see picture), which leads to a new record efficiency of 0.82 % for hydrothermally grown ZnO nanorods in combination with poly(3-hexylthiophene-2,5-diyl) (P3HT). This improvement is attributed to a combined effect of nanorod diameter and orientation, and to a better alignment of the P3HT backbone resulting in improved charge transport.

    14. Calibration and Limits of Camera-Based Fluorescence Correlation Spectroscopy: A Supported Lipid Bilayer Study (pages 2784–2794)

      Nirmalya Bag, Jagadish Sankaran, Alexandra Paul, Prof. Dr. Rachel S. Kraut and Prof. Dr. Thorsten Wohland

      Version of Record online: 21 MAY 2012 | DOI: 10.1002/cphc.201200032

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      A new method to determine the point spread function (PSF, see picture) based on the autocorrelation functions obtained from camera-based fluorescence correlation spectroscopy (FCS) measurements is proposed. Using this correct value for the PSF, the authors report diffusion coefficients of a number of supported lipid bilayers on glass, demonstrate the spatial organization of these model membranes, and provide limits on the laser power and time resolution in camera-based FCS.

    15. Essential State Model for Two-Photon Absorption Spectra of Polymethine Dyes (pages 2795–2800)

      Dr. Cristina Sissa, Dr. Peyman Mohamadzadeh Jahani, Prof. Zoltán G. Soos and Prof. Anna Painelli

      Version of Record online: 12 JUN 2012 | DOI: 10.1002/cphc.201200021

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      Gimme four: A four-state model is proposed for the description of extensive experimental spectroscopic data of a series of polymethine dyes.

  10. Preview

    1. Top of page
    2. Cover Picture
    3. Inside Cover
    4. Graphical Abstract
    5. Corrigendum
    6. News
    7. Highlight
    8. Concept
    9. Communications
    10. Articles
    11. Preview
    1. You have free access to this content
      Preview: ChemPhysChem 12/2012 (page 2803)

      Version of Record online: 27 JUL 2012 | DOI: 10.1002/cphc.201290055

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