International Conference on Molecular Energy Transfer iCOMET

PCCP is pleased to anounce its involvement with iCOMET, the International Conference on Molecular Energy Transfer in Complex Systems: From chemical Dynamics to new Technologies which will be held in Chengdu, China from 11th to 15th October 2015.

The scope of the iCOMET conference is summarized by observing that knowledge on interactions between atoms and molecules is vital to our understanding of the nanoworld, which includes everything from combustion to molecular biology. Such interactions are best deciphered by studying energy transfer in dynamical processes. This field has developed by studies of energy transfer of small molecules in the gas-phase. Today, we are striving toward understanding of more complex problems like molecular interactions at surfaces, in the condensed phase, biological molecules and technology applications. Our goal is to obtain an atomic scale understanding of dynamical events controlling complex physico-chemical phenomena. The field is characterized by advanced experimental tools and has demonstrated a close connection with highly sophisticated theoretical analysis.
Topics

Energy Transfer in Inelastic and Reactive Scattering
Energy Transfer in Photoinitiated and Unimolecular Reactions
Energy Transfer at Surfaces and Interfaces
Energy Transfer in Solution and Solid: Clusters, Droplets, and Aerosols
Energy Transfer in Complex and Biological Systems
Energy transfer in ultra-fast dynamics
Energy transfer at ultra-low temperatures
Energy transfer in reactive plasma
Non-adiabatic Effects in Energy Transfer
Laboratory Astrochemistry
Energy Transfer: New vistas and horizons

Prizes

One iCOMET2015 Prize for the Best Oral Presentation and Three Young Investigator iCOMET2015 Best Poster Prizes, consisting of a cash prize and a certificate will be awarded.

PhD Students or Postdoctoral Associates who submitted their PhD thesis to the faculty not earlier than two years before the Conference are eligible for the iCOMET2015 Prize.

Undergraduate, M.S. or Ph.D. Students are eligible for the Young Investigator iCOMET2015 Poster Prizes.

The iCOMET2015 Prize is offered in partnership with PCCP and the Center of Interface Dynamics for Sustainability. The award intends support young researchers with a creative vision to spark the understanding of the nanoworld.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Developments in Density Functional Theory – upcoming PCCP Themed Issue

Image Credtit: ACMM PCCP is now open for submissions to the themed issue ‘Developments in Density Functional Theory’. This issue aims to highlight state-of-the-art density functional theory (DFT), ranging from mathematical development of the formalism, via software development and development of bonding and reactivity models through applications in physical, (in)organic, and biological/supramolecular chemistry. Contributions that provide insight into the density functional model for the electronic energy itself, as well as those that describe its application to topical problems in chemistry and physics will be welcomed.

This themed issue has been arranged to coincide with the 70th birthday of Professor Dr Evert Jan Baerends who has made an immense contribution to the field of theoretical chemistry in general and DFT in particular. In honour of this event, the Evert Jan Baerends Symposium is to be held at the Amsterdam Center for Multiscale Modeling (ACMM), in the Netherlands on 25th September 2015.  The deadline for submissions to this themed issue is 15th January 2016 and the issue will be published later in the year. If you would like more information on making a submission, please contact the editorial office directly, pccp-rsc@rsc.org.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Recent HOT articles in PCCP

The following HOT articles have been highlighted by the reviewers of the articles as being particularly interesting or significant pieces of research. These are all free to access until 30/09/2015. The order they appear in the list has no meaning or ranking.


Nuclear depolarization and absolute sensitivity in magic-angle spinning cross effect dynamic nuclear polarization
Frédéric Mentink-Vigier, Subhradip Paul, Daniel Lee, Akiva Feintuch, Sabine Hediger, Shimon Vega and Gaël De Paëpe
Journal Article
DOI: 10.1039/C5CP03457D, Paper

C5CP03457D GA


A photoionization mass spectroscopic study on the formation of phosphanes in low temperature phosphine ices
Andrew M. Turner, Matthew J. Abplanalp, Si Y. Chen, Yu T. Chen, Agnes H. H. Chang and Ralf I. Kaiser
Journal Article
DOI: 10.1039/C5CP02835C, Paper

C5CP02835C GA


Insights into colour-tuning of chlorophyll optical response in green plants
Joaquim Jornet-Somoza, Joseba Alberdi-Rodriguez, Bruce F. Milne, Xavier Andrade, Miguel A. L. Marques, Fernando Nogueira, Micael J. T. Oliveira, James J. P. Stewart and Angel Rubio
Journal Article
DOI: 10.1039/C5CP03392F, Paper

C5CP03392F GA


Real time observation of the excimer formation dynamics of a gas phase benzene dimer by picosecond pump–probe spectroscopy
Mitsuhiko Miyazaki and Masaaki Fujii
Journal Article
DOI: 10.1039/C5CP03010B, Paper
From themed collection Optical spectroscopy coupled with mass spectrometry methods

C5CP03010B GA


Charting the known chemical space for non-aqueous lithium–air battery electrolyte solvents
Tamara Husch and Martin Korth
Journal Article
DOI: 10.1039/C5CP02937F, Paper

C5CP02937F GA


Thermotropic interface and core relaxation dynamics of liquid crystals in silica glass nanochannels: a dielectric spectroscopy study
Sylwia Całus, Lech Borowik, Andriy V. Kityk, Manfred Eich, Mark Busch and Patrick Huber
Journal Article
DOI: 10.1039/C5CP03039K, Paper

C5CP03039K GA


PRESTO polarization transfer to quadrupolar nuclei: implications for dynamic nuclear polarization
Frédéric A. Perras, Takeshi Kobayashi and Marek Pruski
Journal Article
DOI: 10.1039/C5CP04145G, Paper

C5CP04145G GA


Photovoltaic performance and the energy landscape of CH3NH3PbI3
Yecheng Zhou, Fuzhi Huang, Yi-Bing Cheng and Angus Gray-Weale
Journal Article
DOI: 10.1039/C5CP03352G, Paper

C5CP03352G GA


Retinal shows its true colours: photoisomerization action spectra of mobility-selected isomers of the retinal protonated Schiff base
N. J. A. Coughlan, B. D. Adamson, L. Gamon, K. Catani and E. J. Bieske
Journal Article
DOI: 10.1039/C5CP03611A, Paper

C5CP03611A GA


Microstructural characteristics of natural gas hydrates hosted in various sand sediments
Jiafei Zhao, Lei Yang, Yu Liu and Yongchen Song
Journal Article
DOI: 10.1039/C5CP03698D, Paper

C5CP03698D GA


Born–Oppenheimer and Renner–Teller coupled-channel quantum reaction dynamics of O(3P) + H2+(X2Σg+) collisions
Pablo Gamallo, Paolo Defazio, Miguel González, Miguel Paniagua and Carlo Petrongolo
Journal Article
DOI: 10.1039/C5CP03451E, Paper

C5CP03451E GA


Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Surface-enhanced spectroscopies

Novel types of spectroscopies with promising technological applications have been developed through the combination of molecular spectroscopies based on infrared absorption, Raman scattering, and fluorescence emission with metal nanostructures generating very high locally increased electric fields upon resonant excitation. This PCCP themed collection, ‘Surface-enhanced spectroscopies‘, brings together contributions from various disciplines (physics, chemistry, materials science, engineering, life sciences) and covers the full range of topics from fundamentals to methods and applications.

The Guest Editors for this themed collection are Rudolf Holze (Chemnitz University of Technology, Germany) and Sebastian Schlücker (University of Duisburg-Essen, Germany). Their Editorial can be viewed for free until 30th September 2015, along with this selection of articles:

In situ Raman and surface-enhanced Raman spectroscopy on working electrodes: spectroelectrochemical characterization of water oxidation electrocatalysts, Khurram S. Joya and Xavier Sala, Phys. Chem. Chem. Phys., 2015,17, 21094-21103, DOI: 10.1039/C4CP05053C

Plasmonic properties of regiospecific core–satellite assemblies of gold nanostars and nanospheres, A. Swarnapali D. S. Indrasekara, Roney Thomas and Laura Fabris, Phys. Chem. Chem. Phys., 2015,17, 21133-21142, DOI: 10.1039/C4CP04517C

Bio-sensing with butterfly wings: naturally occurring nano-structures for SERS-based malaria parasite detection, Natalie L. Garrett, Ryo Sekine, Matthew W. A. Dixon, Leann Tilley, Keith R. Bambery and Bayden R. Wood, Phys. Chem. Chem. Phys., 2015,17, 21164-21168, DOI: 10.1039/C4CP04930F

Surface- and tip-enhanced resonant Raman scattering from CdSe nanocrystals, E. Sheremet, A. G. Milekhin, R. D. Rodriguez, T. Weiss, M. Nesterov, E. E. Rodyakina, O. D. Gordan, L. L. Sveshnikova, T. A. Duda, V. A. Gridchin, V. M. Dzhagan, M. Hietschold and D. R. T. Zahn, Phys. Chem. Chem. Phys., 2015,17, 21198-21203, DOI: 10.1039/C4CP05087H (Open Access)

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

International Symposium on Relations between Homogeneous and Heterogeneous Catalysis -ISHHC17

The 17th International Symposium on Relations between Homogeneous and Heterogeneous Catalysis (ISHHC17), was held at Utrecht University between 12th-15th July, 2015. The opening ceremony took place in the Dom church in the city centre, with plenary lectures given by Professor Robert Schlögl (Fritz Haber Institute of the Max Planck Society, Germany) and Professor Jan van Hest (Radboud University, the Netherlands).

Catalysis Science & Technology and PCCP were proud to sponsor two poster prizes during the event. These were awarded to Amanda E. Anderson (Christopher J. Baddeley and Paul A. Wright) of EaStCHEM School of Chemistry, University of St. Andrews (UK) for her poster, ‘Immobilization of Nanoparticles in Metal Organic Frameworks for Tandem Catalysis’; and to Pim Huat Phua (Boon Ying Tay, Cun Wang, Ludger Paul Stubbs) of Institute of Chemical and Engineering Science (A*STAR) (Singapore), for his poster, ‘Hydrogenation of Levulinic acid to γ-valerolactone: Homogeneous vs Heterogeneous Catalysis’.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Chemical compartmentalisation by membranes: from biological mechanism to biomimetic applications

This PCCP themed issue is devoted to research into understanding, mimicking and harnessing the compartmentalisation of biology using in vitro model systems. ‘Chemical compartmentalisation by membranes: from biological mechanism to biomimetic applications‘ explores the methods physical scientists have developed to reconstitute in vitro models of biologically functional interfaces and compartments, whether they may be membranes composed of natural lipids, or biomimetic self-assembled membranes constructed from block copolymers or polyelectrolytes.

The Guest Editors for this themed collection are Barbara Ciani (University of Sheffield, UK) and Paul Beales (University of Leeds, UK) and their Editorial can be views for free until the 31st August 2015, along with this selection of articles:

Credit: Barbara Ciani and Paul Beales

Bioinspired nanoreactors for the biomineralisation of metallic-based nanoparticles for nanomedicine, Jennifer Bain and Sarah S Staniland, Phys. Chem. Chem. Phys.,2015,17, 15508-15521, DOI: 10.1039/C5CP00375J

Protein synthesis in artificial cells: using compartmentalisation for spatial organisation in vesicle bioreactors, Yuval Elani, Robert V. Law and Oscar Ces, Phys. Chem. Chem. Phys.,2015,17, 15534-15537, DOI: 10.1039/C5CP05933F (Open Access)

Mechanical and molecular basis for the symmetrical division of the fission yeast nuclear envelope, Stefania Castagnetti, Bojan Božič and Saša Svetina, Phys. Chem. Chem. Phys.,2015,17, 15629-15636, DOI: 10.1039/C5CP01243K

Native silica nanoparticles are powerful membrane disruptors, Hend I. Alkhammash, Nan Li, Rémy Berthier and  Maurits R. R. de Planque, Phys. Chem. Chem. Phys.,2015,17, 15547-15560, DOI: 10.1039/C5CP05882H

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

A single hydrogen bond affects photophysics of chromophores

Green fluorescent protein (GFP) is a luminescent protein with a central chromophore and is used in biological imaging. By modifying the chromophore itself or the protein environment, the photophysical properties can be fine-tuned, yet until recently this has not been well understood. However, Lars Andersen (Aarhus University) and his group have developed a laser-action spectroscopy technique to enable the chromophore to be studied in a vacuum. This has revealed that a single hydrogen bond initiated a 0.5eV shift in the absorption spectrum of the GFP chromophore and highlights the importance of understanding the biophysics of  chromophores and how this can help in the development of new colour chromophores.

Interested to know more?

Read the full article in Chemistry World by Michaela Muehlberg.

Or, take a look at the original communication which is free to access until 6th August 2015:

How far can a single hydrogen bond tune the spectral properties of the GFP chromophore, H. Y. Kiefer et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/C5CP02764K

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

PCCP record Impact Factor of 4.49

We are pleased to announce that PCCP’s Impact Factor* has risen to a record high of 4.49.

Co-owned by 19 national societies, PCCP has a large and truly international readership which spans many communities in the broad fields of physical chemistry, chemical physics and biophysical chemistry.

With fast publication times, great author service and a popular themed issue programme, PCCP remains the ideal home for high-quality research.

We thank all of our authors, referees and Board members for their continued support of the journal.

We invite you to submit your next high-quality paper to PCCP.

Check out the following selection of highly cited articles that contributed to this Impact Factor:

Peter Politzer, Jane S. Murray and Timothy Clark
DOI: 10.1039/C3CP00054K

Peng Wang, Baibiao Huang, Ying Dai and  Myung-Hwan Whangbo
DOI: 10.1039/C2CP40823F

Min-Quan Yangab and Yi-Jun Xu
DOI: 10.1039/C3CP53325E

Jianzhang Zhao, Shaomin Ji , Yinghui Chen , Huimin Guo and Pei Yang
DOI: 10.1039/C2CP23144A

Samuel L. Kleinman, Renee R. Frontiera, Anne-Isabelle Henry, Jon A. Dieringer and Richard P. Van Duyne
DOI: 10.1039/C2CP42598J

*The Impact Factor provides an indication of the average number of citations per paper. Produced annually, Impact Factors are calculated by dividing the number of citations in a year by the number of citeable articles published in the preceding two years. Data based on 2014 Journal Citation Reports®, (Thomson Reuters, 2015).
Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Bunsentagung 2015 – Poster Prize Winners

The 114th General Assembly of the German Bunsen Society for Physical Chemistry, Bunsentagung 2015, was held on 14-16th May 2015 in Bochum, Germany. PCCP were proud to award 16 poster prizes that were presented by Professor Joachim Sauer of Humboldt University of Berlin (pictured).

Bunsentagung 2015 Poster Prize Winners:

Vasileios Balos, MPI for Polymer Research, Mainz/D

Andre Fielicke, TU Berlin/D

Stefan Frittmann, Karlsruhe Institute of Technology/D

Norah Heinz, Universität zu Köln, Germany

Max Kauer, Ruhr-Universität Bochum/D

Dr Tilman Kottke, Universität Bielefeld/D

Bastian Kruger, Universität Göttingen/D

Svenja Maria Janke, Universität Göttingen/D

Jessica Luck, Helmholtz-Institut Ulm für elektrochemische Energiespeicherung/D

Dr Hubertus Marbach, Universität Erlangen-Nürnberg/D

Dr Konrad Meister, FOM Institute AMOLF, Amsterdam/NL

Suraj Naskar, Universität Hannover/D

Ibrahim Sadiek, Universität Kiel/D

Dominik Spiegel, Universität Düsseldorf/D

Anke Stamm, TU Kaiserslautern/D

Banu Yesilyurt, Universität Köln/D

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Theoretical chemistry developments: from electronic structure to simulations

PCCP would like to introduce this week’s themed issue that explores theoretical chemistry, ranging from electronic structure theory to molecular dynamics simulations. ‘Theoretical chemistry developments: from electronic structure to simulations‘ aims to give an overview of developments in the field and give a voice to the younger researchers who are shaping the future through the development of theoretical tools that will dominate the field of quantum chemistry.

The guest editors of the issue are Barbara Kirchner (University of Bonn) and Frank Neese (Max-Planck Institute for Chemical Energy Conversion) and their editorial can be viewed for free untill  30th July 2015, along with this selection of articles:

Simulations of room temperature ionic liquids: from polarizable to coarse-grained force fields, Mathieu Salanne, Phys. Chem. Chem. Phys., 2015,17, 14270-14279, DOI: 10.1039/C4CP05550K

Towards an ab initio description of the optical spectra of light-harvesting antennae: application to the CP29 complex of photosystem II, Sandro Jurinovich, Lucas Viani, Ingrid G. Prandi, Thomas Renger and Benedetta Mennucci, Phys. Chem. Chem. Phys., 2015,17, 14405-14416, DOI: 10.1039/C4CP05647G

How simple is too simple? Computational perspective on importance of second-shell environment for metal-ion selectivity, Ondrej Gutten and Lubomír Rulíšek, Phys. Chem. Chem. Phys., 2015,17, 14393-14404, DOI: 10.1039/C4CP04876H

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)