ChemPhysChem

Cover image for Vol. 18 Issue 6

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

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

Impact Factor: 3.138

ISI Journal Citation Reports © Ranking: 2015: 8/35 (Physics Atomic Molecular & Chemical); 50/144 (Chemistry Physical)

Online ISSN: 1439-7641

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

  1. Articles

    1. A Voltage-Responsive Free-Blockage Controlled-Release System Based on Hydrophobicity Switching

      Xiangyu Jiao, Ruijuan Sun, Yaya Cheng, Prof. Fengyu Li, Prof. Xin Du, Prof. Yongqiang Wen, Prof. Yanlin Song and Xueji Zhang

      Version of Record online: 29 MAR 2017 | DOI: 10.1002/cphc.201700117

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      Escape plan: A voltage-responsive controlled-release system with superior sealing capability, good biocompatibility, and excellent gating ability is constructed on the basis of the hydrophobicity switching of nanopores. The system can realize pulsatile release if suitable voltage pulses are sequentially applied, which avoids unexpected release of cargos after the stimulus disappears.

    2. Processing Binary and Fuzzy Logic by Chaotic Time Series Generated by a Hydrodynamic Photochemical Oscillator

      Pier Luigi Gentili, Maria Sole Giubila and B. Mark Heron

      Version of Record online: 29 MAR 2017 | DOI: 10.1002/cphc.201601443

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      Chaos-based computing: A chaotic hydrodynamic photochemical oscillator based on a thermally reversible photochromic naphthopyran acts as a universal Turing machine. All the fundamental binary logic gates can be implemented. Moreover, fuzzy logic systems based on the aperiodic time series can transform numerical data into linguistic statements and contribute to the development of computational linguistics.

    3. Quantifying the Effects of Halogen Bonding by Haloaromatic Donors on the Acceptor Pyrimidine

      Thomas L. Ellington, Peyton L. Reves, Briana L. Simms, Jamey L. Wilson, Prof. Davita L. Watkins, Prof. Gregory S. Tschumper and Prof. Nathan I. Hammer

      Version of Record online: 27 MAR 2017 | DOI: 10.1002/cphc.201700114

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      Affecting the acceptor: The effects of halogen bond interactions on the acceptor pyrimidine are elucidated using Raman and NMR spectroscopies. Changes in vibrational normal modes and chemical shifts stem from charge transfer to haloaromatic donors and π interactions. Computations reveal some halogen bond binding energies larger than a typical hydrogen bond.

  2. Communications

    1. Self-Assembling Molecular Logic Gates Based on DNA Crossover Tiles

      Eleanor A. Campbell, Evan Peterson and Dr. Dmitry M. Kolpashchikov

      Version of Record online: 24 MAR 2017 | DOI: 10.1002/cphc.201700109

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      The design of self-assembling logic gates that recognize DNA inputs and assemble into crossover tiles when the output signal is high is reported. The crossover structures form separate DNA stands when the output is low. AND, NOT, and OR logic gates are designed, and the gates can connect to each other to produce other logic functions.

  3. Articles

    1. Cavitation-Free Continuous-Wave Laser Ablation from a Solid Target to Synthesize Low-Size-Dispersed Gold Nanoparticles

      Dr. Alexey O. Kucherik, Dr. Yury V. Ryabchikov, Dr. Stella V. Kutrovskaya, Dr. Ahmed Al-Kattan, Prof. Sergei M. Arakelyan, Prof. Tatiana E. Itina and Prof. Andrei V. Kabashin

      Version of Record online: 23 MAR 2017 | DOI: 10.1002/cphc.201601419

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      Gentle and steady: The continuous wave (CW) laser ablation of Au in water is investigated. In the absence of a secondary ablation mechanism associated with cavitation bubble collapse, the formed nanoparticles present a single population with a variable mean size and a small size dispersion.

    2. CeIV–GdIII Mixed Oxides as Hosts for ErIII-Based Upconversion Phosphors

      Dr. Cecilia Sorbello, Dr. Petra Gross, Priv.-Doz. Dr. Cristian A. Strassert, Dr. Matías Jobbágy and Dr. Beatriz C. Barja

      Version of Record online: 23 MAR 2017 | DOI: 10.1002/cphc.201601262

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      Lift it up: ErIII and ErIII–YbIII based nanophosphors, hosted in a family of monophasic oxidic CeIV–GdIII solid solutions, were prepared. The yield of the upconversion (UC) process is discussed in the framework of both established and novel alternative mechanisms. Vacancies and the symmetry of the ErIII environment play major roles in the UC emission mechanisms.

  4. Communications

    1. The Relation between Vaporization Enthalpies and Viscosities: Eyring's Theory Applied to Selected Ionic Liquids

      Anne-Marie Bonsa, Dr. Dietmar Paschek, Dr. Dzmitry H. Zaitsau, Dr. Vladimir N. Emel'yanenko, Prof. Dr. Sergey P. Verevkin and Prof. Dr. Ralf Ludwig

      Version of Record online: 22 MAR 2017 | DOI: 10.1002/cphc.201700138

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      Old model still looks young. The eighty years old Eyring model can be applied to selected protic ionic liquids. The idea is, to correlate the easily measurable viscosities of ionic liquids with their vaporization enthalpies for opening a new way for a reliable assessment of these important thermodynamic properties.

  5. Articles

    1. Environmental Impact of Ionic Liquids: Automated Evaluation of the Chemical Oxygen Demand of Photochemically Degraded Compounds

      Susana P. F. Costa, Sarah A. P. Pereira, Dr. Paula C. A. G. Pinto, Dr. André R. T. S. Araujo, Dr. Marieta L. C. Passos and Dr. M. Lúcia M. F. S. Saraiva

      Version of Record online: 22 MAR 2017 | DOI: 10.1002/cphc.201601416

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      A novel automated fluorimetric technique is developed for the assessment of the chemical oxygen demand of ionic liquids.

  6. Communications

    1. Suppression of Phonon Transport in Molecular Christmas Trees

      Marjan Famili, Dr. Iain Grace, Dr. Hatef Sadeghi and Prof. Colin J. Lambert

      Version of Record online: 21 MAR 2017 | DOI: 10.1002/cphc.201700147

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      Twinkle, twinkle…: The picture shows that phonons attempting to pass along the trunk of a molecule from a hot reservoir (left) to a cold reservoir (right) are disrupted by pendant branches.

    2. Single Molecular Junction Study on H2O@C60: H2O is “Electrostatically Isolated”

      Dr. Satoshi Kaneko, Yoshifumi Hashikawa, Dr. Shintaro Fujii, Prof. Dr. Yasujiro Murata and Prof. Dr. Manabu Kiguchi

      Version of Record online: 21 MAR 2017 | DOI: 10.1002/cphc.201700173

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      Isolated water molecule: Electron transport through a single molecule of H2O@C60 is directly measured between Au nanogap electrodes using the break junction technique. By comparison with results on single-molecule measurements of empty C60, the intramolecular electrostatic interaction is found to be negligible, indicating that the entrapped H2O is almost fully isolated from the external field.

  7. Articles

    1. Evidence that Acetonitrile is Sensitive to Different Interaction Sites of Ionic Liquids as Revealed by Excess Spectroscopy

      Dr. Yu Zhou, Dr. Yan-Zhen Zheng, Dr. Tian Zhang, Geng Deng and Prof. Zhi-Wu Yu

      Version of Record online: 21 MAR 2017 | DOI: 10.1002/cphc.201601376

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      Everything in excess: The C≡N stretching vibration is found to be sensitive to different interaction sites as shown by excess infrared spectroscopy. Four existing forms of acetonitrile molecules are identified and a detailed transformation process of the ionic liquid upon dilution is revealed. Such characteristics of the nitrile group are discussed with respect to its ability to form hydrogen bonds with proton donors.

  8. Reviews

    1. Experimental Polymer Mechanochemistry and its Interpretational Frameworks

      Dr. Sergey Akbulatov and Dr. Roman Boulatov

      Version of Record online: 21 MAR 2017 | DOI: 10.1002/cphc.201601354

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      It′s a stretch: Polymer mechanochemistry aims to understand and exploit unique reactivities of highly stretched polymer chains. This is a systematic review of reported macroscopic manifestations of mechanochemistry, and a critical assessment of the interpretational frameworks enabling their molecular rationalizations. The limitations of these approaches to identify outstanding questions that need to be solved for mechanochemistry to become a rigorous, quantitative field are discussed.

  9. Articles

    1. Benchmark Ditopic Binding of Cl and Cs+ by the Macrocycle Hexacyclen

      Dr. Juan Ramón Avilés-Moreno, Dr. Giel Berden, Prof. Jos Oomens and Prof. Bruno Martínez-Haya

      Version of Record online: 21 MAR 2017 | DOI: 10.1002/cphc.201700091

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      Backbone arrangements: The Cl and Cs+ complexes formed by 1,4,7,10,13,16-hexaazacyclooctadecane (hexacyclen), a benchmark building block of ion-pair polyamine receptors, are investigated. The most stable conformers, dominantly populated at room temperature, comprise three structures of Cs, C2, and C3v symmetry. A marked rearrangement of the macrocycle backbone is predicted upon formation of the ion-pair complex.

  10. Editorial

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  11. Articles

    1. Bistability and Bifurcation in Minimal Self-Replication and Nonenzymatic Catalytic Networks

      Dr. Nathaniel Wagner, Rakesh Mukherjee, Dr. Indrajit Maity, Prof. Enrique Peacock-Lopez and Prof. Gonen Ashkenasy

      Version of Record online: 21 MAR 2017 | DOI: 10.1002/cphc.201601293

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      Two are better than one: Theory and simulations show that the onset of bistability requires at least second-order (auto)catalysis. These findings may have far-reaching implications in understanding early evolution in chemical networks. T=template, E=electrophile, N=nucleophile.

    2. Role of Dissolved and Molecular Oxygen on Cu and PtCu Alloy Particle Structure during Laser Ablation Synthesis in Liquids

      Galina Marzun, Prof. Dr. Helmut Bönnemann, Prof. Dr. Christian Lehmann, Bernd Spliethoff, Priv.-Doz. Dr. Claudia Weidenthaler and Prof. Dr. Stephan Barcikowski

      Version of Record online: 20 MAR 2017 | DOI: 10.1002/cphc.201601315

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      The role of oxygen: The pulsed-laser ablation in liquid of a copper or a copper–platinum target in water and acetone that contained dissolved oxygen, as well as in oxygen-free wateris discussed to examine the roles of oxygen and the solvent in the formation of nanoparticles under these conditions.

    3. Controlled Generation of Ultrathin-Shell Double Emulsions and Studies on Their Stability

      Dr. Chun-Xia Zhao, Dr. Dong Chen, Yue Hui, Prof. David A. Weitz and Prof. Anton P. J. Middelberg

      Version of Record online: 20 MAR 2017 | DOI: 10.1002/cphc.201601334

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      Stable for months: The formation and stability of ultrathin-shell water/oil/water double emulsions were studied by using a glass capillary device. The concentration of surfactant in the middle, oil phase plays a critical role in stabilising the double emulsions. The ultrathin-shell double emulsions (see figure) can be stable for up to several months, and this paves the way for their future applications in various fields.

  12. Communications

    1. Gas-Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al2O3)1–6AlO2

      Dr. Xiaowei Song, Matias R. Fagiani, Sandy Gewinner, Dr. Wieland Schöllkopf, Prof. Dr. Knut R. Asmis, Dr. Florian A. Bischoff, Fabian Berger and Prof. Dr. Joachim Sauer

      Version of Record online: 15 MAR 2017 | DOI: 10.1002/cphc.201700089

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      Alumina goes amorphous: The structures of aluminum oxide anions in the gas phase are studied using cryogenic ion-trap vibrational spectroscopy in combination with density functional theory. The average coordination numbers for the series (Al2O3)1–6AlO2 increase with cluster size and approach those reported for amorphous alumina already for clusters containing a few tens of atoms.

  13. Articles

    1. A Density Functional Theory Investigation of Nin, Pdn, and Ptn Clusters (n=1–4) Adsorbed on Buckminsterfullerene

      Nguyet N. T. Pham and Dr. Hung M. Le

      Version of Record online: 14 MAR 2017 | DOI: 10.1002/cphc.201601374

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      Clusters on Bucky balls: How Ni, Pd, and Pt clusters adsorb on C60 is examined by using a computational approach. The calculations show that the base structure of C60 can host Nin/Pdn/Ptn (n=1–4) clusters with good adsorption stability and the complexes establish either two or no unpaired electrons. The binding energy of Pd and Pt clusters increases as the number of metal atom increases, which implies that the coverage of C60 with Pd or Pt preferentially establishes a large-size metal cluster.

    2. Double-Strand Breaks in Genome-Sized DNA Caused by Ultrasound

      Rinko Kubota, Yusuke Yamashita, Prof. Dr. Takahiro Kenmotsu, Prof. Dr. Yuko Yoshikawa, Dr. Kenji Yoshida, Prof. Dr. Yoshiaki Watanabe, Prof. Dr. Tadayuki Imanaka and Prof. Dr. Kenichi Yoshikawa

      Version of Record online: 14 MAR 2017 | DOI: 10.1002/cphc.201601325

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      DNA damage: Double-strand breaks (DSBs) induced by ultrasound sonication are quantitatively evaluated by single-molecule observation. High-frequency pulsing induced greater damage than continuous-wave sonication and low-frequency pulsing caused less damage, as illustrated in the log–log plot between the number of pulses, Np, and the number of DSBs, <n>.

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