UKTC 2012 PCCP Poster Prize Winners

PCCP was delighted to award three ‘PCCP Poster Prizes’ at the National Training School in Theoretical Chemistry 2012 (UKTC2012) which was held at the University of Oxford this week.

The winner was Jonathan Gledhill (Durham) with his poster on tuned range-separated hybrid functionals in DFT. The two runners-up were Martina Stella (Bristol) and William Vigor (Imperial College London) for their posters on a novel DFT embedding scheme and Full Configuration Interaction Quantum Monte Carlo (FCIQMC), respectively.

Each student received a PCCP Prize certificate, presented by Professor David Logan, School Chair, as well as a financial award from the journal.

Professor Logan with PCCP Prize winners Jonathan, William and Martina (left to right)

PCCP will be awarding more Poster Prizes next year, so please do let us know of any suitable conferences which PCCP could sponsor in 2012.

We also encourage you to submit your latest research to PCCP today!

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PCCP Prizes at the ICCT and CALCON meetings in Brazil

The 22nd ICCT (International Conference on Chemical Thermodynamics) and the 67th Calorimetry Conference (CALCON) meetings took place in Búzios-RJ, Brazil from 5–8th August.

Elizabeth Magalhaes from the RSC’s São Paulo Office attended the meeting and presented PCCP poster prizes to J A Simoni (Universidade Estadual de Campinas, Brazil), Aneta Pobudkowska-Mirecka (Warsaw University of Technology, Poland) and Manuel Eduardo R. Minas Piedade (Universidade de Lisboa, Portugal). Congratulations to the winners!

Photograph of PCCP Prize winnerPhotograph of PCCP Prize winnerPhotograph of PCCP Prize winner

Keep up to date with the latest PCCP articles and news: sign up to receive our free table of contents e-alerts and follow us on twitter.

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PCCP Asian Symposia

Physical Chemistry Chemical Physics (PCCP) is delighted to announce the upcoming series of Asian Symposia taking place in China, Japan and Korea.

PCCP-ICCAS Symposium: Frontiers of physical chemistry
Friday 28th September 2012
09:30 – 16:30
Lecture Theatre, Ground floor, Building One, Institute of Chemistry of Chinese Academy of Science (ICCAS), Beijing

PCCP-MANA symposium on Nanotechnology, Materials and Physical Chemistry
Monday 1st October 2012
09:40 – 16:10
WPI-MANA Auditorium, Namiki, NIMS, Tsukuba

PCCP-KCS Symposium on Interfaces in Physical Chemistry
Thursday 4th October 2012
09:40 – 17:50
Mogam Hall, Building 500, Seoul National University

The scientific programme at each event will features a series of world-class speakers both international and local:

  • Prof Katsuhiko Ariga, National Institute for Materials Science
  • Prof Kai Wu, Peking University
  • Prof Graham Hutchings, Cardiff University
  • Prof Can Li, Dalian Institute of Chemical Physics
  • Prof Buxing Han, ICCAS
  • Prof Eiichi Nakamura, University of Tokyo
  • Prof Hiroshi Nishihara, University of Tokyo
  • Prof David Nesbitt, University of Colorado at Boulder
  • Prof Minghua Liu, ICCAS
  • Prof Marie-Paule Pileni, University Pierre & Marie Curie
  • Prof Kazuhiko Maeda, Tokyo Institute of Technology
  • Prof Jinhua Ye, MANA
  • Prof Takayoshi Sasaki, MANA
  • Prof Mitsutoshi Masuda, AIST
  • Prof Yukio Nagasaki, MANA and University of Tsukuba
  • Prof Dongho Kim, Yonsei University
  • Prof Sang Bok Lee, University of Maryland
  • Prof Byung Hee Hong, Seoul National University
  • Prof Zee Hwan Kim, Korea University

All three events are free to attend and we look forward to welcoming you to these exciting meetings.

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Graphene printer helps fight Parkinson’s disease

The simple, cheap and large-scale production of graphene is a hurdle in its commercial realisation

The simple, cheap and large-scale production of graphene is a hurdle in its commercial realisation

Scientists in China have developed a method to produce large-scale, high quality, graphene composite films easily and cheaply. The process could be invaluable in commercialising the material for electrochemical biosensor applications.

Graphene has become something of a wonder material since the Nobel prize for physics was awarded to Andre Geim and Konstantin Novoselov in 2010 for their groundbreaking investigations into the material. Its remarkable chemical and electronic applications have led to many researchers finding new applications for it. However, its simple, cheap and large-scale production has remained a major hurdle in its commercial realisation.

Read the full article in Chemistry World

Link to journal article
Layer-by-layer inkjet printing of fabricating reduced graphene-polyoxometalate composite film for chemical sensors
H Zhang et al
Phys. Chem. Chem. Phys., 2012, DOI: 10.1039/c2cp41561e

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Top ten most accessed articles in July

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

Plasmonic photocatalysts: harvesting visible light with noble metal nanoparticles
Peng Wang, Baibiao Huang, Ying Dai and Myung-Hwan Whangbo
Phys. Chem. Chem. Phys., 2012,14, 9813-9825, DOI: 10.1039/C2CP40823F, Perspective

Evidence of catalyzed oxidation of Li2O2 for rechargeable Li–air battery applications
Jonathon R. Harding, Yi-Chun Lu, Yasuhiro Tsukada and Yang Shao-Horn
Phys. Chem. Chem. Phys., 2012,14, 10540-10546, DOI: 10.1039/C2CP41761H, Paper

A new generation of platinum and iodine free efficient dye-sensitized solar cells
Shahzada Ahmad, Takeru Bessho, Florian Kessler, Etienne Baranoff, Julien Frey, Chenyi Yi, Michael Grätzel and Mohammad K. Nazeeruddin
Phys. Chem. Chem. Phys., 2012,14, 10631-10639, DOI: 10.1039/C2CP41611E, Paper

New insights into organic chemistry from forefront physical measurements
Barry K. Carpenter
Phys. Chem. Chem. Phys., 2012,14, 10376-10376, DOI: 10.1039/C2CP90109A, Editorial

Adsorption of DNA onto gold nanoparticles and graphene oxide: surface science and applications
Juewen Liu
Phys. Chem. Chem. Phys., 2012,14, 10485-10496, DOI: 10.1039/C2CP41186E, Perspective

Cu2ZnSnS4 (CZTS) nanoparticle based nontoxic and earth-abundant hybrid pn-junction solar cells
Sudip K. Saha, Asim Guchhait and Amlan J. Pal
Phys. Chem. Chem. Phys., 2012,14, 8090-8096, DOI: 10.1039/C2CP41062A, Paper

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, Perspective

Computational methodologies and physical insights into electronic energy transfer in photosynthetic light-harvesting complexes
Leonardo A. Pachón and Paul Brumer
Phys. Chem. Chem. Phys., 2012,14, 10094-10108, DOI: 10.1039/C2CP40815E, Perspective

Interplay between halogen bonds and Π-Π stacking interactions: CSD search and theoretical study
Haiying Li, Yunxiang Lu, Yingtao Liu, Xiang Zhu, Honglai Liu and Weiliang Zhu
Phys. Chem. Chem. Phys., 2012,14, 9948-9955, DOI: 10.1039/C2CP41149K, Paper

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, Perspective

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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Cavitation and ice nucleation in doubly-metastable water

A mixture of amorphous ice, ice-Ih/Ic and the high-pressure form, ice-III is observed

Water under tension in a Berthelot tube has been studied by high-speed photography and neutron diffraction.

The water was cooled below the normal ice-nucleation temperature and was in a doubly-metastable state prior to a collapse of the liquid state. The observed pattern does not exhibit the usual crystalline pattern of hexagonal ice [Ih] that is formed under ambient conditions, but indicates the presence of other ice forms. The composite features can be attributed to a mixture of amorphous ice, ice-Ih/Ic and the high-pressure form, ice-III, and the diffraction pattern continues to evolve over a time period of about an hour.

Read this ‘HOT’ PCCP paper:

Studies of cavitation and ice nucleation in ‘doubly-metastable’ water: time-lapse photography and neutron diffraction
Matthew S. Barrow, P. Rhodri Williams, Hoi-Houng Chan, John C. Dore and Marie-Claire Bellissent-Funel
Phys. Chem. Chem. Phys., 2012, DOI: 10.1039/C2CP41925D

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Themed Issue on Biophysical Studies on Protein Misfolding and Amyloid Diseases: Call for papers

PCCP themed issue: Biophysical Studies on Protein Misfolding and Amyloid Diseases

Guest Editor: Ayyalusamy Ramamoorthy (University of Michigan, USA)

PCCP is delighted to announce the high-profile themed issue ‘Biophysical Studies on Protein Misfolding and Amyloid Diseases’. It is our pleasure to invite you to submit an original research article for this themed issue.

The themed issue will be published in PCCP in 2013. It will receive great exposure, and get significant promotion.

PCCP is a high-impact, community spanning, international journal publishing work of the highest quality in the broad fields of physical chemistry, chemical physics and biophysical chemistry.

Deadline for Submissions: 15th December 2012

Amyloid diseases include a number of untreatable and devastating diseases such as Alzheimer’s, type II diabetes, Huntington’s and Parkinson’s diseases. The underlying mechanisms of pathology in these diverse diseases are all linked by the accumulation of misfolded proteins. Therefore, a detailed understanding of the molecular and cellular mechanisms of protein misfolding might facilitate new therapeutic discoveries across a broad family of disorders. Towards this goal, the challenge is to bring together an interdisciplinary collection of biophysical investigations required to link molecular mechanisms with cellular pathways and potential drug development.

This PCCP themed issue will cover a variety of topics including:
• The latest structural and kinetic studies on amyloid proteins
• Biophysical techniques to characterize the structure and oligomerization of amyloid proteins
• Novel approaches to inhibit and characterize the amyloid aggregation
• Theoretical and molecular dynamic simulation studies providing insights into the misfolding pathways and structure of amyloid proteins.

Manuscripts can be submitted in any reasonable format using our online submissions service. Submissions should be high quality manuscripts and will be subject to rigorous peer review. Please indicate upon submission that your manuscript is intended for this themed issue.

The deadline for submissions to the themed issue is 15th December 2012, though submissions before this date are of course welcomed.

If you haven’t already, check out our web collection of articles on biophysics and biophysical chemistry in PCCP.

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Layer-by-layer inkjet printing to make a graphene-based film for a chemical sensor

Scientists in China have used graphene oxide and polyoxometalate solution as ink to fabricate a composite film with a photo printer.

The film shows a linear relationship between the coverage and number of printing cycles, which indicates a steady-state film growth. The team performed a proof-of-principle experiment on the application of the composite for electrochemical sensing and successfully detected dopamine, with increasing current response to increasing concentration. Dopamine is a neurotransmitter, levels of which are monitored to diagnose Parkinson’s disease.

Graphene films are used for transistors and sensors, and there is a need for efficient and facile strategies for large-scale fabrication; this method has potential in terms of reducing material waste, lower costs and scalability.

Read more about this exciting work in the full PCCP article:

Layer-by-layer inkjet printing of fabricating reduced graphene-polyoxometalate composite film for chemical sensors
Hui Zhang, Anjian Xie, Yuhua Shen, Lingguang Qiu and Xingyou Tian
DOI: 10.1039/C2CP41561E

Table of contents image

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Top 10 most-read PCCP articles in June

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

Low-temperature ZnO atomic layer deposition on biotemplates: flexible photocatalytic ZnO structures from eggshell membranes  
Seung-Mo Lee, Gregor Grass, Gyeong-Man Kim, Christian Dresbach, Lianbing Zhang, Ulrich Gösele and Mato Knez  
Phys. Chem. Chem. Phys., 2009, 11, 3608-3614 
DOI: 10.1039/B820436E 

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 

Gas phase metal cluster model systems for heterogeneous catalysis  
Sandra M. Lang and Thorsten M. Bernhardt  
Phys. Chem. Chem. Phys., 2012, 14, 9255-9269 
DOI: 10.1039/C2CP40660H 

Excited state intramolecular proton transfer (ESIPT): from principal photophysics to the development of new chromophores and applications in fluorescent molecular probes and luminescent materials  
Jianzhang Zhao, Shaomin Ji, Yinghui Chen, Huimin Guo and Pei Yang  
Phys. Chem. Chem. Phys., 2012, 14, 8803-8817 
DOI: 10.1039/C2CP23144A 

From VO2 (B) to VO2 (A) nanobelts: first hydrothermal transformation, spectroscopic study and first principles calculation  
Shudong Zhang, Bo Shang, Jinlong Yang, Wensheng Yan, Shiqiang Wei and Yi Xie 
Phys. Chem. Chem. Phys., 2011, 13, 15873-15881 
DOI: 10.1039/C1CP20838A 

Quantum chemistry simulation on quantum computers: theories and experiments  
Dawei Lu, Boruo Xu, Nanyang Xu, Zhaokai Li, Hongwei Chen, Xinhua Peng, Ruixue Xu and Jiangfeng Du 
Phys. Chem. Chem. Phys., 2012, 14, 9411-9420 
DOI: 10.1039/C2CP23700H 

Cu2ZnSnS4 (CZTS) nanoparticle based nontoxic and earth-abundant hybrid pn-junction solar cells  
Sudip K. Saha, Asim Guchhait and Amlan J. Pal  
Phys. Chem. Chem. Phys., 2012, 14, 8090-8096 
DOI: 10.1039/C2CP41062A 

The role of hydrogen bonding in excited state intramolecular charge transfer  
Francis A. S. Chipem, Anasuya Mishra and G. Krishnamoorthy  
Phys. Chem. Chem. Phys., 2012, 14, 8775-8790 
DOI: 10.1039/C2CP23879A 

A microporous–mesoporous carbon with graphitic structure for a high-rate stable sulfur cathode in carbonate solvent-based Li–S batteries  
Da-Wei Wang, Guangmin Zhou, Feng Li, Kuang-Hsu Wu, Gao Qing (Max) Lu, Hui-Ming Cheng and Ian R. Gentle 
Phys. Chem. Chem. Phys., 2012, 14, 8703-8710 
DOI: 10.1039/C2CP40808B 

Structure and dynamics of water at a clay surface from molecular dynamics simulation 
Virginie Marry, Benjamin Rotenberg and Pierre Turq  
Phys. Chem. Chem. Phys., 2008, 10, 4802-4813 
DOI: 10.1039/B807288D 

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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New drug delivery method for ibuprofen examined

French scientists have prepared silica microspheres containing the commonly used drug ibuprofen using a spray drying and sol-gel process. The team found that the ibuprofen forms separate nano-domains within the silica microspheres.

For the full details about the properties of these fascinating materials read the PCCP article today:

Drug nano-domains in spray-dried ibuprofen–silica microspheres
Mohamed Fatnassi, Corine Tourné-Péteilh, Tzonka Mineva, Jean-Marie Devoisselle, Philippe Gaveau, Franck Fayon and Bruno Alonso
DOI: 10.1039/C2CP42092A

Table of contents image. Caption: Confined and fluid imbuprofen

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