ChemPhysChem

Cover image for Vol. 15 Issue 11

August 4, 2014

Volume 15, Issue 11

Pages 2189–2396

  1. Cover Pictures

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Concept
    6. Communications
    7. Articles
    1. You have free access to this content
      Cover Picture: Self-Propelled Janus Mesoporous Silica Nanomotors with Sub-100 nm Diameters for Drug Encapsulation and Delivery (ChemPhysChem 11/2014) (page 2189)

      Mingjun Xuan, Jingxin Shao, Dr. Xiankun Lin, Dr. Luru Dai and Prof. Qiang He

      Version of Record online: 24 JUL 2014 | DOI: 10.1002/cphc.201490051

      Thumbnail image of graphical abstract

      The cover picture shows that self-propelled Janus mesoporous silica nanoparticle (MSN) nanomotors with sub-100-nanometer sizes, synthesized with a simple metal deposition method, can serve as both autonomous motor and smart cargo, which is favorable to perform drug loading, targeted transportation and release in the vicinity of cells in an organism, as described on p. 2255 by L. Dai, Q. He et al.

    2. You have free access to this content
      Inside Cover: Nuclear-Spin-Induced Cotton–Mouton Effect in a Strong External Magnetic Field (ChemPhysChem 11/2014) (page 2190)

      Dr. Li-juan Fu and Prof. Dr. Juha Vaara

      Version of Record online: 24 JUL 2014 | DOI: 10.1002/cphc.201490052

      Thumbnail image of graphical abstract

      Novel magneto-optic methods use macroscopic nuclear magnetisation to change the polarisation state of light. The proposed nuclear spin Cotton–Mouton effect may provide a new means of high-resolution molecular spectroscopy, as shown on p. 2337 by L.-j. Fu and J. Vaara.

    3. You have free access to this content
      Back Cover: Two-Dimensional NMR Spectroscopy with Temperature-Sweep (ChemPhysChem 11/2014) (page 2400)

      Wolfgang Bermel, Rupashree Dass, Klaus-Peter Neidig and Krzysztof Kazimierczuk

      Version of Record online: 24 JUL 2014 | DOI: 10.1002/cphc.201490056

      Thumbnail image of graphical abstract

      The picture shows a spectral snapshot from a time-resolved two-dimensional NMR experiment with temperature sweep. The temperature is swept linearly in parallel to signal sampling. The new experiment proposed on p. 2217 by K. Kazimierczuk et al. allows precise, on-the-fly observation of various phase transitions. Dedicated processing with a compressed sensing algorithm provides a movie-like 2D spectrum that changes continuously with temperature.

  2. Graphical Abstract

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Concept
    6. Communications
    7. Articles
  3. News

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Concept
    6. Communications
    7. Articles
  4. Concept

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Concept
    6. Communications
    7. Articles
    1. Production of Colourful Pigments Consisting of Amorphous Arrays of Silica Particles (pages 2209–2215)

      Prof. Shinya Yoshioka and Prof. Yukikazu Takeoka

      Version of Record online: 20 JUN 2014 | DOI: 10.1002/cphc.201402095

      Thumbnail image of graphical abstract

      In full color: This Concept describes recently developed structurally colored pigments that have antifading properties and are environmentally friendly. The pigments consist of amorphous arrays of submicron silica particles (see picture). The colour saturation is controlled by incorporating small amounts of carbon black.

  5. Communications

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Concept
    6. Communications
    7. Articles
    1. Two-Dimensional NMR Spectroscopy with Temperature-Sweep (pages 2217–2220)

      Wolfgang Bermel, Rupashree Dass, Klaus-Peter Neidig and Krzysztof Kazimierczuk

      Version of Record online: 26 MAY 2014 | DOI: 10.1002/cphc.201402191

      Thumbnail image of graphical abstract

      NMR like a movie: 2D nuclear magnetic resonance (NMR) spectroscopy is useful for studying temperature-dependent effects on molecular structure. However, the experimental time is usually long, because sampling is repeated at several temperatures. A novel solution to the problem is proposed, in which signal sampling is performed in parallel to the linear temperature sweep. Processing allows a movie, showing changes in a spectrum, to be created (see image).

    2. A Multistate pH-Triggered Nonlinear Optical Switch (pages 2221–2224)

      Dr. Frédéric Castet, Prof. Benoît Champagne, Prof. Fernando Pina and Prof. Vincent Rodriguez

      Version of Record online: 23 MAY 2014 | DOI: 10.1002/cphc.201402190

      Thumbnail image of graphical abstract

      Remember this: Hyper-Raleigh scattering measurements provide evidence for large variations of the quadratic nonlinear optical responses to pH-triggered transformations of the 4′-hydroxyflavylium ion. By exploiting the capability of nonlinear optics to probe the electronic states without triggering uncontrolled photoconversions, the network of interconverting processes in this system might be a basis for the development of high-density multiple-storage optical memory.

    3. Understanding the Unusual Adsorption Behavior in Hierarchical Zeolite Nanosheets (pages 2225–2229)

      Peng Bai, Dr. David H. Olson, Prof. Michael Tsapatsis and Prof. J. Ilja Siepmann

      Version of Record online: 18 MAY 2014 | DOI: 10.1002/cphc.201402189

      Thumbnail image of graphical abstract

      Crossover explained: Recent experiments comparing the adsorption in hierarchical self-pillared pentasils (SPP) and silicalite-1 (MFI) revealed an interesting crossover in sorbate loading for n-nonane (see figure) and branched alkanes. Simulations reproduce this unusual adsorption behavior and spatially resolved free energy of adsorption maps (see figure inset) illustrate a complex multi-step adsorption mechanism for all linear and branched alkanes investigated.

    4. Highly Sensitive Ratiometric Chemosensor for Selective ′Naked-Eye′ Nanomolar Detection of Co2+ in Semi-Aqueous Media (pages 2230–2235)

      Smita Patil, Umesh Fegade, Dr. Suban K. Sahoo, Amanpreet Singh, Dr. Jaromir Marek, Dr. Narinder Singh, Prof. Ratnamala Bendre and Dr. Anil Kuwar

      Version of Record online: 12 MAY 2014 | DOI: 10.1002/cphc.201402076

      Thumbnail image of graphical abstract

      An easy-to-prepare chemosensor is developed for the selective and sensitive detection of Co2+ in aqueous media. The chemosensor shows both absorption and fluorescence responses to Co2+ with a detection limit down to 50 nM.

    5. Polymer-Coated PtCo Nanoparticles Deposited on Diblock Copolymer Templates: Chemical Selectivity versus Topographical Effects (pages 2236–2239)

      Dr. E. Metwalli, I. Krisch, Dr. I. Markovits, Dr. M. Rawolle, Dr. M. A. Ruderer, S. Guo, Dr. S. Wyrzgol, Prof. Dr. A. Jentys, Dr. J. Perlich, Prof. Dr. J. A. Lercher and Prof. Dr. P. Müller-Buschbaum

      Version of Record online: 18 MAY 2014 | DOI: 10.1002/cphc.201402047

      Thumbnail image of graphical abstract

      The chemical selectivity and topography characteristics of a polymer nanotemplate on the deposition behavior of specially synthesized polymer-coated nanoparticles are investigated. The results indicate that the selectivity of the poly(styrenesulfonate) (PSS)-coated metal nanoparticles towards the PS domains of the nanostructured film dominates over the topographical effects of the surface.

    6. Far-Red Organic Fluorophores Contain a Fluorescent Impurity (pages 2240–2246)

      Matthew B. Stone and Prof. Sarah L. Veatch

      Version of Record online: 29 APR 2014 | DOI: 10.1002/cphc.201402002

      Thumbnail image of graphical abstract

      A near-red fluorescent impurity is characterized in several commonly used far-red fluorescent dyes. This impurity can lead to artifacts in live-cell multicolor super-resolution measurements, subtle artifacts in chemically fixed cells, and highlights the importance of controls in super-resolution imaging.

    7. Following the Azide-Alkyne Cycloaddition at the Silica/Solvent Interface with Sum Frequency Generation (pages 2247–2251)

      Zhiguo Li, Dr. Champika N. Weeraman and Prof. Julianne M. Gibbs-Davis

      Version of Record online: 6 MAY 2014 | DOI: 10.1002/cphc.201402161

      Thumbnail image of graphical abstract

      Broadband sum frequency generation is applied to monitor the azide-alkyne click reaction at the silica/methanol interface from the decrease of the azide peak associated with the reactant and the increase of the cyano peak associated with the product. From real-time analysis, the reaction order of copper is determined to be two, consistent with the value for the reaction in solution under similar copper concentrations.

    8. Studying the Glycan Moiety of RNase B by Means of Raman and Raman Optical Activity (pages 2252–2254)

      Carl Mensch, Dr. Robert Pendrill, Prof. Dr. Göran Widmalm and Prof. Dr. Christian Johannessen

      Version of Record online: 9 APR 2014 | DOI: 10.1002/cphc.201402029

      Thumbnail image of graphical abstract

      Only glycan: The glycan moiety of ribonuclease B is studied in situ on the surface of the protein by using Raman and Raman optical activity spectroscopy. By subtracting the background protein spectra, it is possible to study the full-length glycan moiety in detail in solution. This study provides a much needed tool for the structural analysis of complex carbohydrates and glycans in biological systems.

  6. Articles

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Concept
    6. Communications
    7. Articles
    1. Self-Propelled Janus Mesoporous Silica Nanomotors with Sub-100 nm Diameters for Drug Encapsulation and Delivery (pages 2255–2260)

      Mingjun Xuan, Jingxin Shao, Dr. Xiankun Lin, Dr. Luru Dai and Prof. Qiang He

      Version of Record online: 16 APR 2014 | DOI: 10.1002/cphc.201402111

      Thumbnail image of graphical abstract

      Drugs in motion: Self-propelled Janus mesoporous silica nanomotors with diameters of sub-100 nm are presented. This new active delivery system combines an autonomous nanomotor and a smart cargo into an integrated system and may be helpful in dealing with current nanoparticle drug-delivery system obstacles (see picture).

    2. Growth of Fe3O4 Nanorod Arrays on Graphene Sheets for Application in Electromagnetic Absorption Fields (pages 2261–2266)

      Huanming Zhang, Prof. Dr. Chunling Zhu, Prof. Dr. Yujin Chen and Prof. Dr. Hong Gao

      Version of Record online: 14 MAY 2014 | DOI: 10.1002/cphc.201402088

      Thumbnail image of graphical abstract

      Show EM who's boss: Three-dimensional (3D) Fe3O4 nanorod arrays/G heteronanostructures are fabricated by a facial method, and they exhibit significantly enhanced electromagnetic (EM) wave-absorption properties. Moreover, the content of the 3D heteronanostructures in a wax matrix is only 20 wt %. Thus, the presented method is very effective in fabricating lightweight EM wave absorbents.

    3. Electronic and Structural Properties of Highly Aluminum Ion Doped TiO2 Nanoparticles: A Combined Experimental and Theoretical Study (pages 2267–2280)

      Desireé M. de los Santos, Teresa Aguilar, Dr. Antonio Sánchez-Coronilla, Dr. Javier Navas, Dr. Norge Cruz Hernández, Dr. Rodrigo Alcántara, Dr. Concha Fernández-Lorenzo and Prof.Dr. Joaquín Martín-Calleja

      Version of Record online: 19 MAY 2014 | DOI: 10.1002/cphc.201402071

      Thumbnail image of graphical abstract

      TiO2 all doped up: Highly Al-doped TiO2 nanoparticles are studied experimentally and theoretically. The crystallinity of TiO2 samples doped with up to 20.0 at % Al is maintained. Studies of the oxygen vacancies and supercells up to 191 atoms are optimized to simulate experimental stoichiometries. The theoretical results match the experimental data. The results provide useful insight into the photocatalytic fields of doped TiO2.

    4. Screening Nitrogen-Rich Bases and Oxygen-Rich Acids by Theoretical Calculations for Forming Highly Stable Salts (pages 2281–2287)

      Dr. Xueli Zhang and Prof. Xuedong Gong

      Version of Record online: 29 APR 2014 | DOI: 10.1002/cphc.201402068

      Thumbnail image of graphical abstract

      Explosive combination: A series of nitrogen-rich salts prepared from heterocyclic bases and inorganic acids is compared by the means of DFT calculations, focusing on the hydrogen-bond energy values and their implication in the thermodynamic stability of these energetic compounds. The ability of anions and cations to form hydrogen bonds has an impact on their stability, whereas different cation abilities are mainly due to their different conformations and charge distributions.

    5. Are Boryl Radicals from Amine–Boranes and Phosphine–Boranes the Most Stable Radicals? (pages 2288–2294)

      Ana Martín-Sómer, Otilia Mó and Manuel Yáñez

      Version of Record online: 28 MAY 2014 | DOI: 10.1002/cphc.201402060

      Thumbnail image of graphical abstract

      Trend seeking: Aminyl ([RNH].:BH3) and phosphinyl ([RPH].:BH3) radicals produced from amine–and phosphine–boranes, respectively, are systematically more stable than the boryl analogues [RNH2]:BH2. and [RPH2]:BH2. (see picture).

    6. Flavylium Network of Chemical Reactions in Confined Media: Modulation of 3′,4′,7-Trihydroxyflavilium Reactions by Host–Guest Interactions with Cucurbit[7]uril (pages 2295–2302)

      Dr. Nuno Basílio and Prof. Dr. Fernando Pina

      Version of Record online: 23 MAY 2014 | DOI: 10.1002/cphc.201402051

      Thumbnail image of graphical abstract

      Colorful kinetics: The network of chemical reactions of 3′,4′,7-trihydroxyflavylium is modulated by host–guest interactions with cucurbit[7]uril. The flavylium cation shows the highest affinity for the host.

    7. Regio- and Stereospecificity in the Oxygenation of Arachidonic Acid Catalyzed by Leu597 Mutants of Rabbit 15-Lipoxygenase: A QM/MM Study (pages 2303–2310)

      Dr. Reynier Suardíaz, Dr. Laura Masgrau, Prof.Dr. José M. Lluch and Prof. Dr. Àngels González-Lafont

      Version of Record online: 17 APR 2014 | DOI: 10.1002/cphc.201402045

      Thumbnail image of graphical abstract

      Mutant powers: Quantum mechanics/molecular mechanics are used to analyze the effects of mutation of Leu597 by Val and Ala in the peroxidation of arachidonic acid catalyzed by rabbit 15-lipoxygenase. Mutation of bulky Leu597 to a shorter Val residue diminishes the regiospecificity and maintains stereospecificity, but mutation to Ala, a residue even shorter than Val, enhances regiospecificity and inverts stereospecificity.

    8. Catalytic Role of TiO2 Terminal Oxygen Atoms in Liquid-Phase Photocatalytic Reactions: Oxidation of Aromatic Compounds in Anhydrous Acetonitrile (pages 2311–2320)

      Dr. Juan F. Montoya, Dr. Detlef W. Bahnemann, Dr. José Peral and Dr. Pedro Salvador

      Version of Record online: 14 MAY 2014 | DOI: 10.1002/cphc.201402043

      Thumbnail image of graphical abstract

      A stable surface? TiO2-assisted photocatalytic oxidation of organic compounds involves the exchange of surface oxygen on the catalyst, the generation of a surface oxygen vacancy, and the final incorporation of a water molecule to heal the vacancy.

    9. Phosphate Monoester Hydrolysis by Trinuclear Alkaline Phosphatase; DFT Study of Transition States and Reaction Mechanism (pages 2321–2330)

      Prof. Shi-Lu Chen and Dr. Rong-Zhen Liao

      Version of Record online: 28 MAR 2014 | DOI: 10.1002/cphc.201402016

      Thumbnail image of graphical abstract

      Associative mechanism: Quantum chemical modeling of alkaline phosphatase (AP) indicates that AP-catalyzed hydrolysis of phosphate monoesters employs a concerted associative mechanism for both alkyl and aryl phosphates, although it is also shown that the nature of phosphoryl transfer trends towards a dissociative mechanism with the pKa of the substrate leaving group decreasing.

    10. Reversible Chemical Reactions for Single-Color Multiplexing Microscopy (pages 2331–2336)

      M.Sc. Dominik Brox, Dr. Michael Schwering, Dr. Johann Engelhardt and Dr. Dirk-Peter Herten

      Version of Record online: 17 APR 2014 | DOI: 10.1002/cphc.201402012

      Thumbnail image of graphical abstract

      Taking it back: Reversible chemical reactions can be used to extend the number of imaging channels in fluorescence microscopy. The feasibility of this complementary approach is demonstrated experimentally by imaging four different structures in fixed cells in only two different spectral channels. In addition to aberration-free overlay of microscopic images, its potential for reversible saturable optical fluorescence transition techniques is discussed.

    11. Nuclear-Spin-Induced Cotton–Mouton Effect in a Strong External Magnetic Field (pages 2337–2350)

      Dr. Li-juan Fu and Prof. Dr. Juha Vaara

      Version of Record online: 23 MAY 2014 | DOI: 10.1002/cphc.201402121

      Thumbnail image of graphical abstract

      NMR shielding in a brand new package: The Voigt magneto-optic setup enables the detection of birefringence, induced by nuclear-spin polarization, in the medium. This may provide a new method for high-resolution molecular spectroscopy.

    12. Quantitative Analysis of Molecular Interaction Potentials of Ionic Liquid Anions Using Multi-Functionalized Stationary Phases in HPLC (pages 2351–2358)

      Dr. Chul-Woong Cho, Dr. Stefan Stolte, Dr. Johannes Ranke, Dr. Ulrich Preiss, Prof. Ingo Krossing and Prof. Jorg Thöming

      Version of Record online: 21 MAY 2014 | DOI: 10.1002/cphc.201402092

      Thumbnail image of graphical abstract

      Anionic interaction potentials: Multi-functionalized stationary phases are used to determine the molecular interaction potentials of ionic liquid anions by high-performance liquid chromatography.

    13. Conical Intersections and Low-Lying Electronic States of Tetrafluoroethylene (pages 2359–2366)

      J. Wayne Mullinax, Dr. Alexander Yu Sokolov and Prof. Henry F. Schaefer III

      Version of Record online: 21 MAY 2014 | DOI: 10.1002/cphc.201402073

      Thumbnail image of graphical abstract

      Lying low: The low-lying electronic states of tetrafluoroethylene (C2F4) are theoretically characterized using equation-of-motion coupled cluster theory and complete active space self-consistent field and second-order perturbation theory. The results suggest two relaxation pathways from the Rydberg-3s (R) excited electronic state to the ground state N (see figure).

    14. Novel Nanoscroll Structures from Carbon Nitride Layers (pages 2367–2371)

      Dr. Eric Perim and Prof. Douglas S. Galvao

      Version of Record online: 12 MAY 2014 | DOI: 10.1002/cphc.201402059

      Thumbnail image of graphical abstract

      Graphene is not alone! Novel nanoscroll structures formed from three distinct graphene-like carbon nitride layers are predicted and shown to be stable. Their stability and scrolling mechanisms are discussed and a possible synthesis route is proposed.

    15. Reactivity of Graphene and Hexagonal Boron Nitride In-Plane Heterostructures with Oxygen: A DFT Study (pages 2372–2376)

      Dr. Manh-Thuong Nguyen

      Version of Record online: 23 MAY 2014 | DOI: 10.1002/cphc.201402040

      Thumbnail image of graphical abstract

      Unzipping nanostructures: Density functional calculations show that oxygen molecules open the linking edge of a graphene and hexagonal boron nitride in-plane heterostructures.

    16. Hybrid Gels Assembled from Fmoc–Amino Acid and Graphene Oxide with Controllable Properties (pages 2377–2385)

      Dr. Pengyao Xing, Dr. Xiaoxiao Chu, Dr. Shangyang Li, Dr. Mingfang Ma and Prof. Aiyou Hao

      Version of Record online: 30 APR 2014 | DOI: 10.1002/cphc.201402018

      Thumbnail image of graphical abstract

      Well gel: A supramolecular gel that is robust and rigid with high elastic modulus and yield stress is fabricated by using a good/poor solvent strategy. Driven by intermolecular H-bonds, the ultralow-molecular-weight gelator forms a lamellar gel, which then combines with graphene oxide (GO) sheets to form supramolecular networks. The interactions between native gels and GO sheets are efficient, and the mechanical properties, fluorescent emission, and thermal properties can be tailored flexibly.

    17. Parallel Water/Aromatic Interactions of Non-Coordinated and Coordinated Water (pages 2386–2396)

      Dr. Dubravka Z. Vojislavljević-Vasilev, Dr. Goran V. Janjić, Dr. Vesna B. Medaković, Jelena P. Blagojević and Prof. Dr. Snežana D. Zarić

      Version of Record online: 19 MAY 2014 | DOI: 10.1002/cphc.201402004

      Thumbnail image of graphical abstract

      Surprisingly strong: Analysis of the Cambridge structural database and quantum chemical calculations show that the parallel-down water/aromatic interactions with aqua complexes are stronger than interactions with non-coordinated water (see figure). It is very surprising that strength of these interactions is comparable to the strength of OH/π interactions.

SEARCH

SEARCH BY CITATION