_tcm18-11426.gif )
Latest News
Call for papers: Advances in Mass Spectrometry for Biological Science
22 January 2010
Submit your best work to this high profile PCCP themed issue. Submission deadline: 24 May 2010
Abstract deadline - 29 January - rapidly approaching!
21 January 2010
Don't miss the deadline for submitting your poster abstract for any of the 2010 ISACS Conferences.
Chemist named new CNRS head
21 January 2010
Chemical engineer Alain Fuchs has been named the new president of the CNRS, France's massive government funded research organisation
Contents list for Physical Chemistry Chemical Physics, issue 7, 2010
Front cover
Phys. Chem. Chem. Phys., 2010, 12, 1409
DOI: 10.1039/c001367f
Inside front cover
Phys. Chem. Chem. Phys., 2010, 12, 1410
DOI: 10.1039/c001368b
Contents
Phys. Chem. Chem. Phys., 2010, 12, 1411
DOI: 10.1039/c001369m
Perspective
Biomimetic behavior of synthetic particles: from microscopic randomness to macroscopic control
Yiying Hong, Darrell Velegol, Neetu Chaturvedi and Ayusman Sen,
Phys. Chem. Chem. Phys., 2010, 12, 1423
DOI: 10.1039/b917741h
Synthetic particles can be designed to communicate and act cooperatively mimicking behaviors typically seen in living systems.
Communications
Formation of surface relief gratings with homeotropically oriented photopolymer from a photocross-linkable organic monomer
Dongyu Zhao, Zeda Xu, Guojie Wang, Hui Cao, Wenbo Li, Wanli He, Wei Huang, Zhou Yang and Huai Yang,
Phys. Chem. Chem. Phys., 2010, 12, 1436
DOI: 10.1039/b919659e
A simple method to fabricate surface relief gratings (SRG) from a dual photocross-linkable organic monomer PDACE is described.
A thermodynamic limit of the melting/freezing processes of water under strongly hydrophobic nanoscopic confinement
Johnny Deschamps, Fabrice Audonnet, Nancy Brodie-Linder, Markus Schoeffel and Christiane Alba-Simionesco,
Phys. Chem. Chem. Phys., 2010, 12, 1440
DOI: 10.1039/b920816j
Thermodynamic limit for the melting/crystallization of water confined within highly hydrophobic nanopores.
Papers
Self-assembled structures formed by a wedge-shaped molecule in 2D and 3D: the role of flexible side chains and polar head groups
Xiaomin Zhu, Ahmed Mourran, Uwe Beginn, Martin Möller, Denis V. Anokhin and Dimitri A. Ivanov,
Phys. Chem. Chem. Phys., 2010, 12, 1444
DOI: 10.1039/b918365e
The 2D and 3D mesomorphism of a wedge-shaped amphiphilic molecule is delicately controlled by the peripheral alkyl chain packing.
On the electrochemical dealloying of Al-based alloys in a NaCl aqueous solution
Qian Zhang and Zhonghua Zhang,
Phys. Chem. Chem. Phys., 2010, 12, 1453
DOI: 10.1039/b919313h
The electrochemical dealloying of rapidly solidified Al-based alloys in a 1 M NaCl solution has been investigated using electrochemical measurements and microstructural analysis.
Pore size and surface charge control in mesoporous TiO2 using post-grafted SAMs
Dereje Hailu Taffa, Murugavel Kathiresan, Lorenz Walder, Britta Seelandt and Michael Wark,
Phys. Chem. Chem. Phys., 2010, 12, 1473
DOI: 10.1039/b921743f
Two types of TiO2 are used as mesoporous scaffolds, one sintered yielding an average pore size of 15–20 nm (s-TiO2), the other prepared by evaporation-induced self-assembly with a pore size of 7–9 nm (t-TiO2)
Adsorption and activation of O2 at Au chains on MgO/Mo thin films
Pentti Frondelius, Hannu Häkkinen and Karoliina Honkala,
Phys. Chem. Chem. Phys., 2010, 12, 1483
DOI: 10.1039/b917723j
According to density functional theory calculations, MgO(3L)/Mo supported Au2–6 clusters, as well as the bare MgO(3L)/Mo substrate, bind and activate O2 molecule, i.e., weaken the double bond of O2 by occupying its antibonding 2
* orbital. This should facilitate the O2 to react with other species like CO.
Tuning magnetic properties of Mn4 cluster with gold coating
Q. Wang, Q. Sun, P. Jena and Y. Kawazoe,
Phys. Chem. Chem. Phys., 2010, 12, 1493
DOI: 10.1039/b921095d
Gold surface coating provides a method to tune the magnetic coupling between Mn atoms in Mn clusters.
Periodic DFT investigation of the effect of aluminium content on the properties of the acid zeolite H-FER
L. Grajciar, C. O. Areán, A. Pulido and P. Nachtigall,
Phys. Chem. Chem. Phys., 2010, 12, 1497
DOI: 10.1039/b917969k
The effect of Al content in H-FER on the O–H stretching frequency and on the acidity of the Brønsted acid sites was investigated computationally.
Electronic and molecular structures of organic dye/TiO2 interfaces for solar cell applications: a core level photoelectron spectroscopy study
Maria Hahlin, Erik M. J. Johansson, Stefan Plogmaker, Michael Odelius, Daniel P. Hagberg, Licheng Sun, Hans Siegbahn and Håkan Rensmo,
Phys. Chem. Chem. Phys., 2010, 12, 1507
DOI: 10.1039/b913548k
The electronic and molecular properties of three organic dye molecules with the general structure donor–linker–anchor have been investigated using core level photoelectron spectroscopy (PES).
Functionalization of single-wall carbon nanotubes through chloroform adsorption: theory and experiment
Eduardo C. Girão, Yvonne Liebold-Ribeiro, Jerias A. Batista, Eduardo B. Barros, Solange B. Fagan, Josué Mendes Filho, Mildred S. Dresselhaus and Antonio G. Souza Filho,
Phys. Chem. Chem. Phys., 2010, 12, 1518
DOI: 10.1039/b916955e
The interaction of chloroform (CHCl3) with single-wall carbon nanotubes (SWCNT) is investigated using theoretical and experimental techniques.
X-Ray absorption spectroscopy quantitative analysis of biomimetic copper(II) complexes with tridentate nitrogen ligands mimicking the tris(imidazole) array of protein centres
Elena Borghi and Luigi Casella,
Phys. Chem. Chem. Phys., 2010, 12, 1525
DOI: 10.1039/b921769j
The importance of considering atom clusters of large size for structural XAS studies of biosystems employing structured and flexible ligands.
31P solid-state NMR studies of the short-range order in phosphorus–selenium glasses
Aleksei Bytchkov, Franck Fayon, Dominique Massiot, Louis Hennet and David L. Price,
Phys. Chem. Chem. Phys., 2010, 12, 1535
DOI: 10.1039/b919118f
2D 31P through-bond correlation and J-resolved MAS NMR experiments provide insights about P–P and P–Se–P connectivities in phosphorus selenium glasses.
Atomistic origin of lattice strain on stiffness of nanoparticles
G. Ouyang, W. G. Zhu, C. Q. Sun, Z. M. Zhu and S. Z. Liao,
Phys. Chem. Chem. Phys., 2010, 12, 1543
DOI: 10.1039/b919982a
Size dependence of single bond energy and average coordination numbers of nanoparticles.
Helquats, helical extended diquats, as fast electron transfer systems
Lubomír Pospí
il, Filip Teplý, Miroslav Gál, Louis Adriaenssens, Michal Horá
ek and Luká Severa,
Phys. Chem. Chem. Phys., 2010, 12, 1550
DOI: 10.1039/b915148f
Heterogeneous and self-exchange electron transfer rates of helquats, evaluated from electrode impedance and EPR spectra, correlate with the Marcus model.
Experimental and theoretical studies on the self-motion of a phenanthroline disk coupled with complex formation
Keita Iida, Nobuhiko J. Suematsu, Yumi Miyahara, Hiroyuki Kitahata, Masaharu Nagayama and Satoshi Nakata,
Phys. Chem. Chem. Phys., 2010, 12, 1557
DOI: 10.1039/b918691c
We propose a mathematical model for the motion of the phenanthroline disk and discuss the validity of this model based on a comparison with the experimental results.
Wannier orbital overlap population (WOOP), Wannier orbital position population (WOPP) and the origin of anomalous dynamical charges
Joydeep Bhattacharjee and Umesh V. Waghmare,
Phys. Chem. Chem. Phys., 2010, 12, 1564
DOI: 10.1039/b918890h
Change in charge distribution due to Wannier functions with symmetry of p orbitals centred on the bridging oxygen, as Ti off-centres and breaks the inversion symmetry of the crystal.
Preparation of protic ionic liquids with minimal water content and 15N NMR study of proton transfer
Geoffrey L. Burrell, Iko M. Burgar, Frances Separovic and Noel F. Dunlop,
Phys. Chem. Chem. Phys., 2010, 12, 1571
DOI: 10.1039/b921432a
15N NMR, fluidity and conductivity measurements indicated that association of ionic molecules was occurring in room temperature protic ionic liquids.
First-principles investigation of electron-induced cross-linking of aromatic self-assembled monolayers on Au(111)
Pepa Cabrera-Sanfelix, Andrés Arnau and Daniel Sánchez-Portal,
Phys. Chem. Chem. Phys., 2010, 12, 1578
DOI: 10.1039/b919336g
A first attempt to theoretically describe the geometry and stability of the cross-linked structures present in the irradiated SAMs containing BP units as spacers is presented.
Ab initio study of the structure and chemical bonding of stable Ge3Sb2Te6
Baisheng Sa, Naihua Miao, Jian Zhou, Zhimei Sun and Rajeev Ahuja,
Phys. Chem. Chem. Phys., 2010, 12, 1585
DOI: 10.1039/b920990e
The atomic arrangements and chemical bonding of stable Ge3Sb2Te6 have been investigated by means of ab initio total energy calculations.
Cholic acid micelles—controlling the size of the aqueous cavity by PEGylation
F. Despa, J. T. Luo, J. Li, Y. Duan and K. S. Lam,
Phys. Chem. Chem. Phys., 2010, 12, 1589
DOI: 10.1039/b914440d
We show that PEGylated cholic acid (CA-PEG4) molecules form 
hollow-core
micelles that can be optimized for cancer drug delivery.
Breaking AB stacking order in graphite oxide: ab initio approach
Dinh Loc Duong, Gunn Kim, Hae-Kyung Jeong and Young Hee Lee,
Phys. Chem. Chem. Phys., 2010, 12, 1595
DOI: 10.1039/b919683h
The AB stacking order is no longer maintained in hydrated high oxidation graphite oxide because of weak interlayer interaction and entropic disorder.
Resistive memories based on Rose Bengal and related xanthene derivatives: insights from modeling charge transport properties
Daniele Fazzi, Chiara Castiglioni and Fabrizia Negri,
Phys. Chem. Chem. Phys., 2010, 12, 1600
DOI: 10.1039/b920792a
Electron injection into Rose Bengal semiconductor improves level alignment at the electrode/organic interface thereby switching ON the memory device.
Heat transfer in protein–water interfaces
Anders Lervik, Fernando Bresme, Signe Kjelstrup, Dick Bedeaux and J. Miguel Rubi,
Phys. Chem. Chem. Phys., 2010, 12, 1610
DOI: 10.1039/b918607g
Using a novel simulation technique, we show that proteins can develop temperature gradients within their structure that are larger than those in aqueous solutions.
Controlling intermolecular spin interactions of La@C82 in empty fullerene matrices
Yasuhiro Ito, Jamie H. Warner, Richard Brown, Mujtaba Zaka, Rudolf Pfeiffer, Takayuki Aono, Noriko Izumi, Haruya Okimoto, John J. L. Morton, Arzhang Ardavan, Hisanori Shinohara, Hans Kuzmany, Herwig Peterlik and G. Andrew D. Briggs,
Phys. Chem. Chem. Phys., 2010, 12, 1618
DOI: 10.1039/b913593f
La@C82 in C82 matrix showed the narrowest ESR spectrum, which suggests that C82 is the best matrix for La@C82.
Back matter
Phys. Chem. Chem. Phys., 2010, 12, 1624
DOI: 10.1039/c001370f
Back cover
Phys. Chem. Chem. Phys., 2010, 12, 1627
DOI: 10.1039/c001371b
RSS feed
