Archive for the ‘Uncategorized’ Category

International Conference on Physical Chemistry and Functional Materials (PCFM’18)

The International Conference on Physical Chemistry and Functional materials (PCFM’18) will be held in Elazığ, Turkey, between 19–21 June 2018.

With a theme of ‘Physical Chemistry and Functional Materials’, the PCFM 2018 conference features three days of scientific sessions, keynote & invited lectures, oral and poster communications, as well as exceptional networking opportunities, an exhibition and a unique social programme. The PCFM 2018 conference reflects the outstanding research being done in Europe and around the world by bringing together scientists from different countries and professional backgrounds to exchange ideas, advance knowledge and discuss key issues for physical chemistry and material science.

Physical Chemistry Chemical Physics (PCCP) is delighted to be supporting the meeting and provide three poster prizes.

Register now!

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PCCP Themed Collection: Theory, experiment, and simulations in laboratory astrochemistry

Guest-edited by Laurent Wiesenfeld (Université Grenoble Alpes), Allan Shi-Chung Cheung (The University of Hong Kong) and Jos Oomens (Radboud University), this themed issue of PCCP overviews the recent developments showing physical insights in the areas of theory, experiment, and simulation as applied to molecular astrophysics environments.

Read the full collection here now!

It includes:

Editorial 
Theory, experiment, and simulations in laboratory astrochemistry
Laurent Wiesenfeld, Jos Oomens and Allan S. C. Cheung
Phys. Chem. Chem. Phys., 2018, 20, 5341-5343. DOI: 10.1039/C8CP90026D

Perspective 
Spectroscopy of prospective interstellar ions and radicals isolated in para-hydrogen matrices
Masashi Tsuge, Chih-Yu Tseng and Yuan-Pern Lee
Phys. Chem. Chem. Phys., 2018, 20, 5344-5358. DOI: 10.1039/C7CP05680J

Paper 
A general method for the inclusion of radiation chemistry in astrochemical models
Christopher N. Shingledecker and Eric Herbst
Phys. Chem. Chem. Phys., 2018, 20, 5359-5367. DOI: 10.1039/C7CP05901A

Paper 
Radiation chemistry of solid acetone in the interstellar medium – a new dimension to an old problem
L. Hudson
Phys. Chem. Chem. Phys., 2018, 20, 5389-5398. DOI: 10.1039/C7CP06431D

Paper 
Dissociative ionisation of adamantane: a combined theoretical and experimental study
Alessandra Candian, Jordy Bouwman, Patrick Hemberger, Andras Bodi and Alexander G. G. M. Tielens
Phys. Chem. Chem. Phys., 2018, 20, 5399-5406. DOI: 10.1039/C7CP05957D

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2018 Joint ICTP-IAEA School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments poster award winners!

The 2018 Joint ICTP-IAEA School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments was held at ICTP in Trieste, Italy, from 16 – 20 April 2018. Six Physical Chemistry Chemical Physics poster prizes were awarded.

First prize was awarded to Marta Patricia Alejandra Mendez for her contribution “Inelastic collision calculations of heavy targets”.

Joint second prize was awarded to Szabolcs Goger for “Theoretical studies on the dynamics of the HO + HBr → H2O + Br reaction” and Francisco Ramirez for “Real time electron dynamics using TDDFT”.

Joint third prize was awarded to Jerome Deprince for “Plasma environment effects on K-lines of astrophysical interest”, Chuanguo Zhang for “Long-term evolution of cascades in bcc tungsten: effects of size distribution of interstitial clusters” and Suvam Singh for “Electron and positron induced scattering from propene”.

 

Congratulations to the awardees!

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PCCP Tulip VII Summer School Award

We are delighted to announce the winner of the PCCP Tulip2018 award that was given at the Tulip VII Summer School on Modern Developments in Spectroscopy, 3–6 April 2018 in Noordwijk, the Netherlands.  The winner for the best presentation was Meissa Diouf of the Free University Amsterdam with a poster on HIGH-RESOLUTION CARS STUDY OF THE FUNDAMENTAL VIBRATION IN T2 AND DT. The winner received a certificate and a cash prize.

Pictured (left to right): Prof. Wybren Jan Buma (co-chair of the Tulip Summer School), Meissa Diouf (PCCP Poster prize winner for best presentation), Prof. Ivan Powis (lecturer at Tulip2018 and presenting the award on behalf of the committee of all 6 Tulip lecturers) and Dr. Maurice Janssen (co-chair of the Tulip Summer School).

Congratulations to Meissa Diouf!

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RSC Theoretical Chemistry Group Conference

The Theoretical Chemistry Group of the Royal Society of Chemistry is pleased to announce the TCG conference 2018, which will be held at the University of Sheffield between 16 – 18 July.

The meeting will cover a broad spectrum of theoretical and computational chemistry, including talks by leading international and UK scientists. It will also incorporate the TCG Graduate Student Meeting, where final-year graduate students compete for the Coulson prize for the best graduate student talk.

Confirmed speakers:
  • Christine Mottet (Centre Interdisciplinaire de Nanoscience de Marseille, France)
  • Karen Johnston (University of Strathclyde, UK)
  • Paul Popelier (The University of Manchester, UK)
  • Daniel T. Crawford (Virginia Tech, USA)
  • Marie-Pierre Gaigeot (University of Evry, France)

For more information, please visit the conference web page.

Physical Chemistry Chemical Physics (PCCP) is pleased to support the meeting and will provide a prize for the best graduate student talk.

The deadline for registration is 8 June. The deadlines for talk and poster abstracts are 18 May and 1 June, respectively.

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Mourning the loss of Professor Gaoquan Shi

Photograph of Gaoquan Shi

We are sad to announce that Professor Gaoquan Shi passed away on the 1st March 2018. Gaoquan will be sorely missed by PCCP and the entire community. A PCCP Associate Editor for over five years, his contributions to the journal, field and community were widespread.

As a Professor of Chemistry at Tsinghua University, his research interests were focused on functional polymers, especially the syntheses and applications of conducting polymers and carbon nanomaterials.

A selection of Gaoquan’s recently published articles are highlighted below in his memory.

Paper 
High-performance gas sensors based on a thiocyanate ion-doped organometal halide perovskite
Yue Zhuang, Wenjing Yuan, Liu Qian, Shan Chen and Gaoquan Shi
Phys. Chem. Chem. Phys., 2017, 19, 12876-12881. DOI: 10.1039/C7CP01646H

Communication 
Pyridinic nitrogen-rich carbon nanocapsules from a bioinspired polydopamine derivative for highly efficient electrocatalytic oxygen reduction
Zhengran Yi, Zheye Zhang, Shuai Wang and Gaoquan Shi
J. Mater. Chem. A, 2017, 5, 519-523. DOI: 10.1039/C6TA09315A
 
Edge Article 
Water-enhanced oxidation of graphite to graphene oxide with controlled species of oxygenated groups
Ji Chen, Yao Zhang, Miao Zhang, Bowen Yao, Yingru Li, Liang Huang, Chun Li and Gaoquan Shi
Chem. Sci., 2016, 7, 1874-1881. DOI: 10.1039/C5SC03828F

Review Article 
Flexible graphene devices related to energy conversion and storage
Xiluan Wang and Gaoquan Shi
Energy Environ. Sci., 2015, 8, 790-823. DOI: 10.1039/C4EE03685A

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Themed collection now online: Complex molecular systems: supramolecules, biomolecules and interfaces

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Complex molecular systems: supramolecules, biomolecules and interfaces is now online. 

It includes:

Editorial 
Complex molecular systems: a frontier of molecular science
Tahei Tahara, Akio Kitao, Yasuhisa Mizutani, Hideki Kandori and Masaaki Fujii
Phys. Chem. Chem. Phys., 2018, 20, 2945-2946. DOI: 10.1039/C8CP90010H

Perspective 
Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics
Andriy Kovalenko and Sergey Gusarov
Phys. Chem. Chem. Phys., 2018, 20, 2947-2969. DOI: 10.1039/C7CP05585D

Communication 
The effect of regioisomerism on the photophysical properties of alkylated-naphthalene liquids
Narayan, K. Nagura, T. Takaya, K. Iwata, A. Shinohara, H. Shinmori, H. Wang, Q. Li, X. Sun, H. Li, S. Ishihara and T. Nakanishi
Phys. Chem. Chem. Phys., 2018, 20, 2970-2975. DOI: 10.1039/C7CP05584F

Paper 
Protonation/reduction dynamics at the [4Fe–4S] cluster of the hydrogen-forming cofactor in [FeFe]-hydrogenases
Moritz Senger, Stefan Mebs, Jifu Duan, Olga Shulenina, Konstantin Laun, Leonie Kertess, Florian Wittkamp, Ulf-Peter Apfel, Thomas Happe, Martin Winkler, Michael Haumann and Sven T. Stripp
Phys. Chem. Chem. Phys., 2018, 20, 3128-3140. DOI: 10.1039/C7CP04757F

Paper 
Analysis of the conformational properties of amine ligands at the gold/water interface with QM, MM and QM/MM simulations
Dongyue Liang, Jiewei Hong, Dong Fang, Joseph W. Bennett, Sara E. Mason, Robert J. Hamers and Qiang Cui
Phys. Chem. Chem. Phys., 2018, 20, 3349-3362. DOI: 10.1039/C7CP06709G

We hope you enjoy reading the articles. Please get in touch if you have any questions about this themed collection or PCCP.

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Understanding and Reconstructing Biointerfaces with 3D Soft Nanolithography: Faraday Discussion

We are delighted to announce that Understanding and Reconstructing Biointerfaces with 3D Soft Nanolithography will be held in London, United Kingdom on 3 – 5 July 2019.

Recently, groups from different fields have been making significant advances in creating the printing tools, chemical reactions, and analytical approaches for developing and studying 3D nanostructures composed of glycans and glycomimetics. This Faraday Discussion aims to bring these communities together in a single symposium to create a new language for approaching the challenge of carbohydrate-based biointerfaces ranging from researchers who focus entirely on printing tools, surface chemistry, binding thermodynamics, and glycobiology, and others whose nascent efforts to combine these are leading to groundbreaking new materials and a revolutionary understanding of these unconventional surface interactions, where multivalency and cooperativity have an outsized role. This symposium will show how chemistry, particularly the combination of physical and organic chemistry, will continue to drive advances in the field, and provide new approaches to understanding, and in turn, creating biomimetic materials with precisely controlled nanoscale structure in three dimensions.

The themes of this Faraday Discussion will be:

  • Multidimensional Micro- and Nano-printing Technologies
  • Preparation of Multivalent Glycan Micro- and Nano-Arrays
  • Glycan Interactions on Glycocalyx Mimetic Surfaces
  • New Directions in Surface Functionalization and Characterization

For more information, please visit the event web page.

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2017 PCCP HOT Articles collection – online and free to access

This collection showcases all 2017 Physical Chemistry Chemical Physics (PCCP) articles highlighted as HOT by the handling editor.  Congratulations to all the authors whose articles are featured.

Read it here now for free until the end of February 2018!

It includes:

Perspective 
Solid surface vs. liquid surface: nanoarchitectonics, molecular machines, and DNA origami
Katsuhiko Ariga, Taizo Mori, Waka Nakanishi and Jonathan P. Hill
Phys. Chem. Chem. Phys., 2017, 19, 23658-23676. DOI: 10.1039/C7CP02280H

Perspective 
Carbon nitrides: synthesis and characterization of a new class of functional materials
S. Miller, A. Belen Jorge, T. M. Suter, A. Sella, F. Corà and P. F. McMillan
Phys. Chem. Chem. Phys., 2017, 19, 15613-15638. DOI: 10.1039/C7CP02711G

Perspective 
Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory
Juan Andrés, Patricio González-Navarrete, Vicent Sixte Safont and Bernard Silvi
Phys. Chem. Chem. Phys., 2017, 19, 29031-29046. DOI: 10.1039/C7CP06108K

Communication 
Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells
Tao Cheng, William A Goddard, Qi An, Hai Xiao, Boris Merinov and Sergey Morozov
Phys. Chem. Chem. Phys., 2017, 19, 2666-2673. DOI: 10.1039/C6CP08055C

Paper 
Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin films
Florian Steiner, Carl Poelking, Dorota Niedzialek, Denis Andrienko and Jenny Nelson
Phys. Chem. Chem. Phys., 2017, 19, 10854-10862. DOI: 10.1039/C6CP06436A

Paper 
Influence of cations in lithium and magnesium polysulphide solutions: dependence of the solvent chemistry
Georg Bieker, Julia Wellmann, Martin Kolek, Kirsi Jalkanen, Martin Winter and Peter Bieker
Phys. Chem. Chem. Phys., 2017, 19, 11152-11162. DOI: 10.1039/C7CP01238A

Paper 
Covalent-reaction-induced interfacial assembly to transform doxorubicin into nanophotomedicine with highly enhanced anticancer efficiency
Chenchen Qin, Jinbo Fei, Ganglong Cui, Xiangyang Liu, Weihai Fang, Xiaoke Yang, Xingcen Liu and Junbai Li
Phys. Chem. Chem. Phys., 2017, 19, 23733-23739. DOI: 10.1039/C7CP02543B

We hope you enjoy reading the articles.

Is your research HOT? Our editors are already handpicking the hottest 2018 content for our rolling 2018 PCCP HOT Articles collection. Submit your work for consideration now.

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From a PCCP Associate Editor’s Desk

Professor Ayyappanpillai Ajayghosh, National Institute for Interdisciplinary Science and Technology (NIIST)

Dr. Ayyappanpillai Ajayaghosh is the Director of the CSIR-National Institute for Interdisciplinary Science and Technology (CSIR-NIIST), Thiruvananthapuram, India and is a Professor and former Dean of Chemical Sciences, Academy of Scientific and Innovative Research (AcSIR). His research contributions are in the interdisciplinary areas of organic photoresponsive materials, supramolecular chemistry, molecular self-assembly, organogels, molecular probes and sensors. He has developed a new class of functional soft materials namely pi-gels having potential applications in energy harvesting, sensing and security materials. His scientific contributions are recognized with the prestigious awards a few of these includes Shanti Swarup Bhatnagar Prize for Chemical Sciences (2007), the Infosys Science Prize (2012), the Silver Medal of the Chemical Research Society of India (2013), the TWAS Prize for Chemistry (2013) and the J. C. Bose National Fellowship (2015). He is a fellow of the three major science academies of India and is a fellow of the World Academy of Sciences. He is an Associate Editor of PCCP and shares some of his thoughts & experiences.

 

Question: Could you share a short story on your most inspiring/satisfying research?

Answer: I believe my main contribution in science is the development of a new class of soft materials called π-gels made of self-assembled π-conjugated molecules. Most of these materials are fluorescent which a sensitive property is and hence these materials have potential applications in sensing, imaging and security. Our contributions in this area are well recognized nationally and internationally. It is very satisfying to note that the scientific community across the globe recognizes us.

 

Question: What, in your opinion has been the most exciting part of being an Associate Editor?

Answer: Associating with a journal from Royal Society of Chemistry is a prestige to any chemist, so is for me. The most exciting and interesting aspect, being an Associate Editor is the opportunity to read articles fresh before publishing. I enjoyed reading some of the best Physical Chemistry related work on soft materials. It is also exciting to see that many of the young researchers are impressed by the quality of PCCP and therefore submission to PCCP from India is going up.

 

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