ChemPhysChem

Cover image for Vol. 15 Issue 3

February 24, 2014

Volume 15, Issue 3

Pages 385–541

  1. Cover Pictures

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Review
    6. Communications
    7. Articles
    1. You have free access to this content
      Cover Picture: The Effect of Cholesterol on Membrane Dynamics on Different Timescales in Lipid Bilayers from Fast Field-Cycling NMR Relaxometry Studies of Unilamellar Vesicles (ChemPhysChem 3/2014) (page 385)

      Carla C. Fraenza, Dr. Carla J. Meledandri, Prof. Esteban Anoardo and Dr. Dermot F. Brougham

      Article first published online: 19 FEB 2014 | DOI: 10.1002/cphc.201490010

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      The cover image shows NMR relaxation data for cholesterol-doped liposomes. The contributions from the different dynamic modes are highlighted in colour. Analysis by D. F. Brougham and E. Anoardo et al. shows that the non-cholesterol lipids can be partitioned into affected (ordered) and unaffected populations, with three ordered lipids to each cholesterol over a range of concentrations, as shown on p. 425.

    2. You have free access to this content
      Inside Cover: Heteronuclear Cross-Relaxation Effects in the NMR Spectroscopy of Hyperpolarized Targets (ChemPhysChem 3/2014) (page 386)

      Dr. Kevin J. Donovan, Dr. Adonis Lupulescu and Prof. Dr. Lucio Frydman

      Article first published online: 19 FEB 2014 | DOI: 10.1002/cphc.201490011

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      Strong transient resonances can dominate 1H solution-state NMR spectra of natural-abundance samples that have been subject to ex situ dynamic nuclear polarisation, whereby the usually negligible heteronuclear “satellite” peaks dominate the spectra, as detailed by L. Frydman et al. on p. 436.

  2. Graphical Abstract

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Review
    6. Communications
    7. Articles
    1. Graphical Abstract: ChemPhysChem 3/2014 (pages 387–392)

      Article first published online: 19 FEB 2014 | DOI: 10.1002/cphc.201490012

  3. News

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Review
    6. Communications
    7. Articles
    1. Editors' Selection: ChemPhysChem 3/2014 (page 394)

      Article first published online: 19 FEB 2014 | DOI: 10.1002/cphc.201490013

  4. Review

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Review
    6. Communications
    7. Articles
    1. Organic Photomechanical Materials (pages 400–414)

      Dr. Taehyung Kim, Dr. Lingyan Zhu, Prof. Dr. Rabih O. Al-Kaysi and Prof. Dr. Christopher J. Bardeen

      Article first published online: 27 JAN 2014 | DOI: 10.1002/cphc.201300906

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      Putting organic photochemistry to work: Structures composed of organic photoreactive molecules can exhibit various types of large-scale (micron to millimeter) motions. This review covers basic principles and classes of organic photomechanical materials, including polymeric materials, microcystals, and nanocrystals. Photoinduced thermal and charge-transfer-mediated mechanical motions are also discussed, as well as potential directions for future research.

  5. Communications

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Review
    6. Communications
    7. Articles
    1. Anomalously Enhanced Hydration of Aqueous Electrolyte Solution in Hydrophobic Carbon Nanotubes to Maintain Stability (pages 415–419)

      Prof. Dr. Tomonori Ohba

      Article first published online: 21 JAN 2014 | DOI: 10.1002/cphc.201300957

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      Hydration or hydrogen bonds? The hydrogen bonding network of water in electrolyte in the carbon nanotubes is weakened, but the formation of the ion hydration shell is significantly enhanced in the electrolyte in the carbon nanotubes in comparison with ion hydration in bulk electrolyte.

    2. Fingerprinting DNA Oxidation Processes: IR Characterization of the 5-Methyl-2′-Deoxycytidine Radical Cation (pages 420–423)

      Dominik B. Bucher, Bert M. Pilles, Toni Pfaffeneder, Prof. Dr. Thomas Carell and Prof. Wolfgang Zinth

      Article first published online: 2 JAN 2014 | DOI: 10.1002/cphc.201300954

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      Fingerprinting DNA oxidation: Photoexcitation of 5-methyl-2′-deoxycytidine by a two-photon process leads to an intermediate cation radical, which is identified by ultrafast IR-spectroscopy. The subsequent main reaction products are characterized by LC-MS/MS.

  6. Articles

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. News
    5. Review
    6. Communications
    7. Articles
    1. The Effect of Cholesterol on Membrane Dynamics on Different Timescales in Lipid Bilayers from Fast Field-Cycling NMR Relaxometry Studies of Unilamellar Vesicles (pages 425–435)

      Carla C. Fraenza, Dr. Carla J. Meledandri, Prof. Esteban Anoardo and Dr. Dermot F. Brougham

      Article first published online: 31 JAN 2014 | DOI: 10.1002/cphc.201301051

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      Fast field-cycling NMR relaxometry is used to study membrane dynamics in liposomes containing a lipid and cholesterol. Cholesterol partitions the lipids into affected and unaffected portions, with each sterol ordering three lipids. The work provides rare experimental confirmation of effects predicted by computation/simulation, and establishes methods for studying dynamics on multiple timescales in membranes of complex composition.

    2. Heteronuclear Cross-Relaxation Effects in the NMR Spectroscopy of Hyperpolarized Targets (pages 436–443)

      Dr. Kevin J. Donovan, Dr. Adonis Lupulescu and Prof. Dr. Lucio Frydman

      Article first published online: 8 JAN 2014 | DOI: 10.1002/cphc.201300857

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      Satellite Broadcasting: Strong transient resonances dominating 1H 1D NMR spectra, can arise if molecules have been subject to ex situ dynamic nuclear hyperpolarization. These effects reflect strong heteronuclear polarization transfer processes, which can make the usually negligible satellite peaks dominate their corresponding 1H traces. A full description of this effect and some of its potential applications, are presented.

    3. Interaction of Fluorescently Labeled Triethyleneglycol and Peptide Derivatives with β-Cyclodextrin (pages 444–457)

      Dr. Mohamed-Anis Alouini , Dr. El-Farouck Moustoifa, Dr. Sandra Rubio-Albenque, Dr. Thomas Berthelot, Dr. Suzanne Fery-Forgues  and Prof. Gérard Déléris

      Article first published online: 8 JAN 2014 | DOI: 10.1002/cphc.201301032

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      FRET-active inclusion complexes: Linear and cyclic peptides are labeled with a donor–acceptor pair of coumarin dyes. These compounds form inclusion complexes with β-cyclodextrins (β-CDs) and retain most of their Förster resonance energy transfer (FRET) properties. This paves the way for the subsequent use of doubly labeled peptides in analytical devices that are designed to measure the activity of matrix metalloproteinases.

    4. Iodinated AlIII-Based Phthalocyanines are Promising Sensitizers for Dye-Sensitized Solar Cells; A Theoretical Comparison Between ZnII, MgII, and AlIII-Based Phthalocyanine Sensitizers (pages 458–466)

      Li-Na Yang, Zhu-Zhu Sun, Prof. Shi-Lu Chen and Prof. Ze-Sheng Li

      Article first published online: 27 JAN 2014 | DOI: 10.1002/cphc.201300969

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      The winner takes it Al(lII): The theoretical comparison between ZnII, MgII, and AlIII-based phthalocyanines (Pcs) shows that iodinated AlIII-based phthalocyanine dyes (labeled as Al-I-Pcs) display good optical properties in the near-IR region, and keep excellent balance between electron injection from the dye to the semi-conductor, and regeneration of oxidized dye. The present computational results suggest Al-based dyes to be potentially promising sensitizers in DSSCs.

    5. Organohelium Compounds: Structures, Stabilities and Chemical Bonding Analyses (pages 467–477)

      Dr. Isabelle Fourré, Elsa Alvarez and Prof. Patrick Chaquin

      Article first published online: 2 FEB 2014 | DOI: 10.1002/cphc.201300932

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      Revealing the beauty of distortions: Substitution of hydrogen by He+ in small organic molecules enables short C[BOND]He bonds to be formed. Topological approaches such as the electronic localization function (ELF) analysis highlight the perturbation in electronic structure; here shown is the breaking of the triple bond in C2H2 (picture).

    6. Mixed Quantum-Classical Description of Excitation Energy Transfer in Supramolecular Complexes: Screening of the Excitonic Coupling (pages 478–485)

      Dr. Jörg Megow, Prof. Dr. Thomas Renger and Dr. Volkhard May

      Article first published online: 27 JAN 2014 | DOI: 10.1002/cphc.201300625

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      Screeneria: The paper investigates the screening of the excitation energy transfer (EET) coupling in a flexible supramolecular complex in ethanol solution. When considering ensemble-averaged EET dynamics, a detailed analysis of screening/local-field effects gives the same result as the utilization of a constant screening factor. For EET in single complexes the accurate computation of screening/local-field effects becomes important.

    7. Label-Free Measurements of the Diffusivity of Molecules in Lipid Membranes (pages 486–491)

      Björn Johansson, Prof. Fredrik Höök, Prof. David Klenerman and Dr. Peter Jönsson

      Article first published online: 8 JAN 2014 | DOI: 10.1002/cphc.201301136

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      Hydrodynamic forces and imaging ellipsometry: The localized force of liquid flow through a micropipette is used to accumulate molecules bound to a lipid bilayer. When the flow is turned off, the molecules diffuse away, and this process is studied with surface-enhanced ellipsometric contrast (SEEC) imaging, which yields the mobility of the molecules without the use of labels (see picture).

    8. The Origin of the “Snap-In” in the Force Curve between AFM Probe and the Water/Gas Interface of Nanobubbles (pages 492–499)

      Yang Song, Binyu Zhao, Dr. Lijuan Zhang, Dr. Junhong Lü, Shuo Wang, Prof. Yaming Dong and Prof. Jun Hu

      Article first published online: 29 JAN 2014 | DOI: 10.1002/cphc.201301081

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      Snap-in operation: The origin of the “snap-in” in the force curve between the atomic force microscopy (AFM) probe and the water/gas interface of a nanobubble is investigated by PeakForce quantitative nanomechanics. The phenomenon is attributed to hydrophobic interactions caused by hydrophobic contamination or surfactant absorption on the AFM probe or the nanobubble. Conventional plasma cleaning treatment is shown to remove the effect.

    9. Cooperative and Diminutive Effects of Pnicogen Bonds and Cation–π Interactions (pages 500–506)

      Dr. Qingzhong Li, Hongying Zhuo, Xin Yang, Prof. Dr. Jianbo Cheng, Wenzuo Li and Prof. Robert E. Loffredo

      Article first published online: 16 JAN 2014 | DOI: 10.1002/cphc.201300965

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      By mutual agreement: A cooperative effect is found for complexes with aromatic systems as the Lewis base in a cation–π interaction and as the Lewis acid in the pnicogen bond, whereas a diminutive effect is observed for complexes with aromatic systems as the Lewis base in the cation–π interaction and pnicogen bond simultaneously (see picture).

    10. Silole-Infiltrated Photonic Crystal Films as Effective Fluorescence Sensor for Fe3+ and Hg2+ (pages 507–513)

      Prof. Yuqi Zhang, Xiangdong Li, Prof. Loujun Gao, Jianhua Qiu, Prof. Liping Heng, Prof. Ben Zhong Tang and Prof. Lei Jiang

      Article first published online: 29 JAN 2014 | DOI: 10.1002/cphc.201300949

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      We know you are in there: An effective silole-infiltrated photonic crystal film fluorescence sensor for Fe3+/Hg2+ ions is reported. The slow photon effect of photonic crystals enhances the sensitivity of the fluorescence detection, and a detection limit of 5 nM for Fe3+/Hg2+ ions is obtained. The sensor is negligibly responsive to other metal ions and can be easily recovered by removing metal ions through water washing.

    11. Conversion of CO2 and C2H6 to Propanoic Acid over a Au-Exchanged MCM-22 Zeolite (pages 514–520)

      Dr. Winyoo Sangthong, Prof. Dr. Michael Probst and Prof. Dr. Jumras Limtrakul

      Article first published online: 20 DEC 2013 | DOI: 10.1002/cphc.201300931

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      Bifunctional at low temperatures: The conversion of CO2 and C2H6 to propanoic acid over a Au-exchanged MCM-22 zeolite (see picture) are investigated by means of density functional calculations with the M06 L functional.

    12. Reorientational Dynamics of Water Confined in Zeolites (pages 521–529)

      Dr. Aoife C. Fogarty, Dr. François-Xavier Coudert, Dr. Anne Boutin and Dr. Damien Laage

      Article first published online: 21 JAN 2014 | DOI: 10.1002/cphc.201300928

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      Water dynamics in extreme confinement: When considering water molecules within a zeolite pore, the presence of the interface has a much greater impact on reorientational dynamics than the additional structuring of water due to the influence of the confinement.

    13. On the Structures, Lifetimes, and Infrared Spectra of Alkylmercury Hydrides (pages 530–541)

      Dr. Abdessamad Benidar, Dr. M. Merced Montero-Campillo, Dr. Al Mokhtar Lamsabhi, Prof. Manuel Yáñez, Dr. Michaelle Bouilloud, Dr. Jean-Claude Guillemin and Prof. Otilia Mó

      Article first published online: 17 JAN 2014 | DOI: 10.1002/cphc.201300876

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      Vibrating quicksilver: The IR spectra of n-propyl-, isopropyl-, n-butyl-, and 3-butenylmercury hydride are provided for the first time, together with an analysis of their structure and stability. Comparison of the experimental and theoretical results allows the assignment of the vibrational modes of the hydrides, despite the low intrinsic stability of some of the derivatives investigated.

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