Archive for July, 2012

PCCP Editor’s choice: bonding, reaction kinetics and dynamics

journal cover imagePhysical Chemistry Chemical Physics (PCCP) Advisory Board member Professor Elangannan Arunan, an expert in the field of bonding, reaction kinetics and dynamics, has picked his favourite articles recently published in this area in PCCP.

You can read these articles for free for a limited period by clicking on the links below.

Publishing work of the highest quality in the broad fields of physical chemistry, chemical physics and biophysical chemistry, PCCP is the ideal place to publish your research.

Be among the first to hear about the newest articles being published in PCCP – sign up to receive our free table of contents e-alerts.

On behalf of the Editorial Board we invite you to submit your best work to PCCP.

Read Professor Arunan’s Editor’s choice selection for free today:

Perspectives

The role of weak hydrogen bonds in chiral recognition
Debora Scuderi, Katia Le Barbu-Debus and A. Zehnacker
DOI: 10.1039/C1CP20987F

Proton transfer and polarity changes in ionic liquid–water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate–water mixtures—Part 1
Martin Brehm, Henry Weber, Alfonso S. Pensado, Annegret Stark and Barbara Kirchner
DOI: 10.1039/C2CP23983C

Original research

Molecular geometries of H2S ICF3 and H2O ICF3 characterised by broadband rotational spectroscopy
Susanna L. Stephens, Nicholas R. Walker and Anthony C. Legon
DOI: 10.1039/C1CP22339A

Infrared spectra of the protonated neurotransmitter histamine: competition between imidazolium and ammonium isomers in the gas phase
Anita Lagutschenkov, Judith Langer, Giel Berden, Jos Oomens and Otto Dopfer
DOI: 10.1039/C1CP21681C

A π-stacked phenylacetylene dimer
Surajit Maity, G. Naresh Patwari, Robert Sedlak and Pavel Hobza
DOI: 10.1039/C1CP20677J

Experimentally measured permanent dipoles induced by hydrogen bonding. The Stark spectrum of indole–NH3
Adam J. Fleisher, Justin W. Young and David W. Pratt
DOI: 10.1039/C2CP23902G

Infrared spectrum of the 2-chloroethyl radical in solid para-hydrogen
Jay C. Amicangelo, Barbara Golec, Mohammed Bahou and Yuan-Pern Lee
DOI: 10.1039/C1CP22524C

Experimental and modeling study of carbon suboxide decomposition behind reflected shock waves
M. Aghsaee, H. Böhm, S. H. Dürrstein, M. Fikri and C. Schulz
DOI: 10.1039/C1CP22044F

Exploring microsolvation of the anesthetic propofol
Iker Leon, Emilio J. Cocinero, Judith Millán, Sander Jaeqx, Anouk M. Rijs, Alberto Lesarri, Fernando Castaño and José A. Fernández
DOI: 10.1039/C2CP23583H

Low-temperature combustion chemistry of biofuels: pathways in the initial low-temperature (550 K–750 K) oxidation chemistry of isopentanol
Oliver Welz, Judit Zádor, John D. Savee, Martin Y. Ng, Giovanni Meloni, Ravi X. Fernandes, Leonid Sheps, Blake A. Simmons, Taek Soon Lee, David L. Osborn and Craig A. Taatjes
DOI: 10.1039/C2CP23248K

You can find many more excellent articles on our website.

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Incredible ionic liquids: an article collection

Image of liquidIonic liquids are pretty self explanatory; they are ionic materials in a liquid state. In a ‘normal’ liquid, interactions are usually governed by Van de Waals or H-bonding forces. In ionic liquids it is ionic bonding interactions which dominate, meaning ionic liquids possess some interesting and unique properties.

The field of ionic liquids grew after Paul Walden’s observations of ethylammonium nitrate in 1914,1 since then the study and use of ionic liquids has grown phenomenally, with applications in analytics, biology, electrochemistry, physical chemistry, engineering, solvents and catalysis.

The academic and industrial interest in ionic liquids has thrown up some remarkable discoveries, particularly in recent years, so to keep you up to date with latest break-through research in the field we have collected these high quality articles which are free to access!*

Click here for the full list of free articles

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Fuel cell catalysts – alternatives to platinum needed

Prof. Alfred B. Anderson of Case Western Reserve University has discussed the content of his recent PCCP Perspective on Nanowerk. Anderson argues that the platinum electrodes commonly used in fuel cells have fundamental drawbacks that mean their full potential will never be reached, and scientists would be better putting more efforts into searching for an alternative.

Read the full details of Prof. Anderson’s fascinating PCCP Perspective today:

Insights into electrocatalysis
Alfred B. Anderson
Phys. Chem. Chem. Phys., 2012, 14, 1330-1338
DOI: 10.1039/C2CP23616H

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Hedi Mattoussi is new PCCP Associate Editor

Hedi mattoussi photoWe are delighted to announce that Professor Hedi Mattoussi of the Florida State University has joined the Physical Chemistry Chemical Physics (PCCP) Editorial Board as an Associate Editor. His Editorial Office will open for submissions soon.

Prof. Mattoussi’s research interests are in the design synthesis and characterisation of inorganic nanocrystals and multidentate, multifunctional ligands. His work also includes the design of nanoparticle-bioconjugates as analytical tools for sensing, imaging and diagnostics.

Read Prof. Matoussi’s PCCP Perspective article today:

Quantum dot-based resonance energy transfer and its growing application in biology
Igor L. Medintz and Hedi Mattoussi
DOI: 10.1039/B813919A

Check out this exciting themed issue from our series on Biophysics and biophysical chemistry:

Nano-bio: The interface between bio-systems and nano-devices
Phys. Chem. Chem. Phys., 2011, 13, Issue 21
Guest Editors: Seong Keun Kim, Taekjip Ha and Jean-Pierre Schermann

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Biomolecular toolkit for building bioelectrochemical interfaces

Scientists in Argentina, Germany and Austria have made electrodes by combining enzymes and mediators using concanavalin A (Con A) as a binding reagent.

This introduces a new and flexible way to assemble functional multi-enzyme layers and architectures on an electrode surface, forming highly versatile enzymatic electrodes.

Using redox-active Con A as a biorecognisable platform enables spontaneous assembly. Electrical wiring of multiple enzyme layers onto electrodes is an unexplored research topic and this is the first study on this.

The research could be used to create functional soft biointerfaces displaying specific building blocks at controlled sites into 3D interfacial nanoarchitectures.

Read the PCCP article today hot off the press:

Recognition-Driven Layer-by-Layer Construction of Multiprotein Assemblies on Surfaces:
Biomolecular Toolkit for Building Up Chemoresponsive Bioelectrochemical Interfaces
Diego Pallarola et al.
Phys. Chem. Chem. Phys.,
2012, DOI: 10.1039/c2cp41225j

PCCP publishes great research in the fields of biophysical chemistry and biophysics – take a look at the PCCP Biophysics & Biophysical Chemistry themed issue series.

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Poster Prizes: Theoretical Chemistry Group Graduate Student Meeting

It was a pleasure for PCCP to award Poster Prizes at the recent TCG Graduate Student Meeting which took place in May at Kings College, London.

The winners were Gabrielle Tocci (University College London) for his poster entitled: ‘Structure and dynamics of the water-ZnO(10-10) interface from density functional theory’ and Leo Holroyd (University of St Andrews) for his poster: ‘Structure and energetics of the mutagenic base analog 5-bromouracil’
 

PCCP Poster prize winners Gabrielle Tocci and Leo Holroyd

PCCP Poster Prize winners Gabrielle Tocci and Leo Holroyd

PCCP is pleased to continue to support the TCG by sponsoring the student prizes again this year.

To keep up to date with our latest news: sign up to our e-alert and follow us on twitter.

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Top 10 most-read PCCP articles in May

This month sees the following articles in PCCP that are in the top ten most accessed in May:

Density functional theory for transition metals and transition metal chemistry 
Christopher J. Cramer and Donald G. Truhlar  
Phys. Chem. Chem. Phys., 2009, 11, 10757-10816 
DOI: 10.1039/B907148B

Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory 
Álvaro Valdés, Jeremie Brillet, Michael Grätzel, Hildur Gudmundsdóttir, Heine A. Hansen, Hannes Jónsson, Peter Klüpfel, Geert-Jan Kroes, Florian Le Formal, Isabela C. Man, Rafael S. Martins, Jens K. Nørskov, Jan Rossmeisl, Kevin Sivula, Aleksandra Vojvodic and Michael Zäch  
Phys. Chem. Chem. Phys., 2012, 14, 49-70 
DOI: 10.1039/C1CP23212F 

Studying disorder in graphite-based systems by Raman spectroscopy 
M. A. Pimenta, G. Dresselhaus, M. S. Dresselhaus, L. G. Cançado, A. Jorio and R. Saito  
Phys. Chem. Chem. Phys., 2007, 9, 1276-1290 
DOI: 10.1039/B613962K 

Nanostructure-based WO3 photoanodes for photoelectrochemical water splitting 
Xien Liu, Fengying Wang and Qing Wang  
Phys. Chem. Chem. Phys., 2012, 14, 7894-7911 
DOI: 10.1039/C2CP40976C 

The electrochemistry of CVD graphene: progress and prospects 
Dale A. C. Brownson and Craig E. Banks 
Phys. Chem. Chem. Phys., 2012, 14, 8264-8281 
DOI: 10.1039/C2CP40225D 

Fragment and localized orbital methods in electronic structure theory 
Gregory J. O. Beran and So Hirata  
Phys. Chem. Chem. Phys., 2012, 14, 7559-7561 
DOI: 10.1039/C2CP90072F 

Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries 
Junbo Hou, Yuyan Shao, Michael W. Ellis, Robert B. Moore and Baolian Yi  
Phys. Chem. Chem. Phys., 2011, 13, 15384-15402 
DOI: 10.1039/C1CP21915D 

Titania supported gold nanoparticles as photocatalyst 
Ana Primo, Avelino Corma and Hermenegildo García  
Phys. Chem. Chem. Phys., 2011, 13, 886-910 
DOI: 10.1039/C0CP00917B 

Layer-by-layer assembly as a versatile bottom-up nanofabrication technique for exploratory research and realistic application 
Katsuhiko Ariga, Jonathan P. Hill and Qingmin Ji 
Phys. Chem. Chem. Phys., 2007, 9, 2319-2340 
DOI: 10.1039/B700410A 

Carbon materials for supercapacitor application  
Elzbieta Frackowiak  
Phys. Chem. Chem. Phys., 2007, 9, 1774-1785 
DOI: 10.1039/B618139M 

Why not take a look at the articles today and blog your thoughts and comments below.

Fancy submitting an article to PCCP? Then why not submit to us today!

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Xanthines may have been building blocks in prebiotic Earth

US-based scientists Jinquan Chen and Bern Kohler have studied the excited-state dynamics of 5 xanthine derivatives. The compounds display ultrashort excited state lifetimes – analogous to adenine and guanine – and the authors conclude that these compounds may be candidates for the building blocks of life on prebiotic Earth.

Read this fascinating PCCP paper today:

Ultrafast nonradiative decay by hypoxanthine and several methylxanthines in aqueous and acetonitrile solution
Jinquan Chen and Bern Kohler
DOI: 10.1039/C2CP41296A

Graphical Abstract image

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