Archive for the ‘News’ Category

New PCCP Associate Editor, John Zhang

We are delighted to welcome John Zhang as our newest Physical Chemistry Chemical Physics Associate Editor.

 

John Zhang, New York University Shanghai

ORCiD 0000-0003-4612-1863

John Zhang is professor of chemistry at New York University Shanghai and Director of NYU-ECNU Center for Computational Chemistry at NYU Shanghai. His current research focuses on protein structure and dynamics, fragment quantum chemistry study of biomolecules, polarizable force field, protein-ligand interaction, protein-protein interaction, ab initio molecular dynamics study of biomolecules and computational drug design.

Submit your best work to John now.

Read John’s latest Papers in PCCP here:
BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation: the nonequilibrium stratification
Xiaohui Wang, Xingzhao Tu, John Z. H. Zhang and Zhaoxi Sun
Phys. Chem. Chem. Phys., 2018,20, 2009-2021. DOI: 10.1039/C7CP07573A

Direct folding simulation of helical proteins using an effective polarizable bond force field
Lili Duan, Phys. Chem. Chem. Phys., 2017,19, 15273-15284. DOI: 10.1039/C7CP02101A

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99th Chemical Society of Japan Annual Meeting – PCCP Prize Winners

The 99th Chemical Society of Japan Annual Meeting took place in Konan University, Japan between the 16th – 19th March 2019.

The Royal Society of Chemistry’s Emma Wilson, Director of Publishing delivered a greeting speech and awarded PCCP Prize Certificates for Outstanding Achievement of Young Scientists in Physical Chemistry and Chemical Physics with committee chair and PCCP Advisory Board member Professor Yasuhiro Iwasawa.

Prizes were awarded to:

1. Dr. Hikaru Kuramochi, Research Scientist RIKEN Center for Advanced Photonics – “Development of ultrafast time-domain Raman spectroscopy using few-cycle pulses and its application to complex molecular systems”

2. Dr. Koji Oohora, Assistant Professor Osaka University, Graduate School of Engineering – “Hemoprotein engineering by chemical modification toward artificial enzyme and biomaterials”

3. Dr. Ken Sakaushi, Senior Researcher, National Institute for Materials Science Center for Green Research on Energy and Environmental Materials – “Two-Dimensional Conjugated Frameworks towards Unveiling Microscopic Energy Storage/Conversion Mechanisms”


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Outstanding Reviewers for Physical Chemistry Chemical Physics in 2018

We would like to highlight the Outstanding Reviewers for Physical Chemistry Chemical Physics (PCCP) in 2018, as selected by the editorial team, for their significant contribution to the journal. The reviewers have been chosen based on the number, timeliness and quality of the reports completed over the last 12 months.

We would like to say a big thank you to those individuals listed here as well as to all of the reviewers that have supported the journal. Each Outstanding Reviewer will receive a certificate to give recognition for their significant contribution.

Dr Attila Bende, National Institute for R&D of Isotopic and Molecular Technologies, ORCID: 0000-0002-5347-1514

Dr Leonardo Bernasconi, University of Pittsburgh, ORCID: 0000-0002-9460-7975

Professor Francesc Illas Riera, Institute of Theoretical and Computational Chemistry (IQTCUB), ORCID: 0000-0003-2104-6123

Dr Vladan Mlinar, School of Engineering, Brown University, ORCID: 0000-0003-0078-3693

Dr Isao Ohkubo, National Institute for Material Science (NIMS), ORCID: 0000-0002-4187-0112

Dr Aurelien Perera, LPTMC Sorbonne University, ORCID: 0000-0001-9119-6659

Dr Antonio Rizzo, Istituto per I Processi Chimico Fisici (IPCF), CNR

Professor Dennis Salahub, University of Calgary, ORCID: 0000-0002-9848-3762

Dr Ian Shuttleworth, Nottingham Trent University, ORCID: 0000-0001-8655-9718

Dr Héctor Vázquez, Institute of Physics, Academy of Sciences of the Czech Republic, ORCID: 0000-0002-3865-9922

We would also like to thank the PCCP board and the physical chemistry, chemical physics and biophysical chemistry community for their continued support of the journal, as authors, reviewers and readers.

 

If you would like to become a reviewer for our journal, just email us with details of your research interests and an up-to-date CV or résumé.  You can find more details in our author and reviewer resource centre

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Challenges in spectroscopy: accuracy vs interpretation from isolated molecules to condensed phases themed collection now online

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection Challenges in spectroscopy: accuracy vs interpretation from isolated molecules to condensed phases is now online and free to access until 15 April 2019.

Guest-edited by Cristina Puzzarini (Università di Bologna), Maria J. Ramos (Universidade do Porto) and Maria Pilar de Lara-Castells (CSIC Madrid), the special issue is a collection of the latest research outcomes in the modelling of spectroscopic properties of chemical systems spanning from isolated molecules to condensed phases, with particular focus on accuracy and interpretative capabilities of computational methodologies and the interplay of experiment and theory.

It includes:

Editorial 
Challenges in spectroscopy: accuracy versus interpretation from isolated molecules to condensed phases
Cristina Puzzarini, Maria Pilar de Lara-Castells and Maria J. Ramos
Phys. Chem. Chem. Phys., 2019, 21, 3395-3396. DOI: 10.1039/C9CP90025J
 
Perspective 
Quantum approaches to vibrational dynamics and spectroscopy: is ease of interpretation sacrificed as rigor increases?
Chen Qu and Joel M. Bowman
Phys. Chem. Chem. Phys., 2019, 21, 3397-3413. DOI: 10.1039/C8CP04990D
 
Perspective 
On the prediction of core level binding energies in molecules, surfaces and solids
Francesc Viñes, Carmen Sousa and Francesc Illas
Phys. Chem. Chem. Phys., 2018, 20, 8403-8410. DOI: 10.1039/C7CP08503F

Paper 
Far-IR and UV spectral signatures of controlled complexation and microhydration of the polycyclic aromatic hydrocarbon acenaphthene
Alexander K. Lemmens, Sébastien Gruet, Amanda L. Steber, Jens Antony, Stefan Grimme, Melanie Schnell and Anouk M. Rijs
Phys. Chem. Chem. Phys., 2019, 21, 3414-3422. DOI: 10.1039/C8CP04480E
 
Paper 
Rovibrational quantum dynamics of the vinyl radical and its deuterated isotopologues
Jan Šmydke, Csaba Fábri, János Sarka and Attila G. Császár
Phys. Chem. Chem. Phys., 2019, 21, 3453-3472. DOI: 10.1039/C8CP04672G

Paper 
Theoretical insight into joint photodynamic action of a gold(I) complex and a BODIPY chromophore for singlet oxygen generation
Bruna C. De Simone, Gloria Mazzone, Wichien Sang-aroon, Tiziana Marino, Nino Russo and Emilia Sicilia
Phys. Chem. Chem. Phys., 2019, 21, 3446-3452. DOI: 10.1039/C8CP04848G

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PCCP Associate Editor Henry F. Schaefer III awarded American Institute of Chemists Gold Award

First presented by the American Institute of Chemists (AIC) in 1926, the Gold Medal is the AIC’s highest
award. It recognizes service to the science of chemistry and to the profession of chemistry or chemical engineering in the United States. Previous winners include a number of Nobel laureates Glenn T. Seaborg and Herbert C. Brown, as well as other renowned researchers and scientists representing the many facets of the world of chemistry. Recent medalists include Ronald Breslow, Jacqueline Barton, Chad Mirkin, Stephen Lippard and Gerald Meyer.

PCCP is delighted to learn that Associate Editor Henry F. Schaefer III has been selected to receive the 2019 American Institute of Chemists Gold Medal.

Professor Henry F. Schaefer III is currently Graham Perdue Professor of Chemistry and Director of the Center for Computational Quantum Chemistry at the University of Georgia, USA. His research involves the use of state-of-the-art computational hardware and theoretical methods to solve important problems in molecular quantum mechanics.

Read his recent research:

Paper 
The reaction of alkyl hydropersulfides (RSSH, R = CH3 and tBu) with H2S in the gas phase and in aqueous solution
Linxing Zhang, Xinhao Zhang, Yun-Dong Wu, Yaoming Xie, Jon M. Fukuto and Henry F. Schaefer
Phys. Chem. Chem. Phys., 2019, Advance Article. DOI: 10.1039/C8CP05503C

Paper 
The bismuth tetramer Bi4: the ν3 key to experimental observation
Mitchell E. Lahm, Preston R. Hoobler, Justin M. Turney, Kirk A. Peterson and Henry F. Schaefer
Phys. Chem. Chem. Phys., 2018, 20, 21881-21889. DOI: 10.1039/C8CP03529F

Paper 
Vibrational frequencies, structures, and energetics of the highly challenging alkali metal trifluorides MF3 (M = Li, Na, K, Rb, and Cs)
Zhi Sun and Henry F. Schaefer
Phys. Chem. Chem. Phys., 2018, 20, 18986-18994. DOI: 10.1039/C8CP03434F

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Introducing PCCP’s new Editorial Board Chair David Rueda

David Rueda, Imperial College London, UK

Having served on the Physical Chemistry Chemical Physics (PCCP) Editorial Board as Deputy Chair, David looks forward to his new role as Editorial Board Chair.
 
“It’s an honour to Chair the Editorial Board of Physical Chemistry Chemical Physics in 2019.
 
“In this new role, I look forward to assisting the Editorial Board to maintain the high-quality standards of our journal.”
 
Submit your best physical chemistry, chemical physics and biophysical chemistry research today.

 

David’s research involves the development of quantitative single-molecule approaches to investigate the interactions between proteins and nucleic acids to elucidate the mechanism of complex biochemical reactions.

Find out more about David here or read his recent PCCP article:

Paper 
Reduced structural flexibility for an exonuclease deficient DNA polymerase III mutant
Hailey L. Gahlon, Alice R. Walker, G. Andrés Cisneros, Meindert H. Lamers and David S. Rueda
Phys. Chem. Chem. Phys., 2018, 20, 26892-26902. DOI: 10.1039/C8CP04112A

David has selected some of the most outstanding physical chemistry and chemical physics research from the past year to share with you. Read them now for free until the end of March 2019:

Paper
Consequences of Mg2+ binding on the geometry and stability of RNA base pairs
Antarip Halder, Rohit Roy, Dhananjay Bhattacharyya and Abhijit Mitra
Phys. Chem. Chem. Phys., 2018, 20, 21934-21948. DOI: 10.1039/C8CP03602K

Paper
Conformational changes of DNA induced by a trans-azobenzene derivative via non-covalent interactions
Hong Zhang, Haohao Fu, Xueguang Shao, Christophe Chipot, Antonio Monari, François Dehez and Wensheng Cai
Phys. Chem. Chem. Phys., 2018, 20, 22645-22651. DOI: 10.1039/C8CP03836H
 
Paper
Turn-off mode fluorescent norbornadiene-based photoswitches
Behabitu Ergette Tebikachew, Fredrik Edhborg, Nina Kann, Bo Albinsson and Kasper Moth-Poulsen
Phys. Chem. Chem. Phys., 2018, 20, 23195-23201. DOI: 10.1039/C8CP04329A

To keep up to date the latest physical chemistry and chemical physics research and other journal news, sign up to the e-alerts.

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2018 PCCP Emerging Investigator Lectureship: awarded to Professor Debashree Ghosh

Nominations were open to all and were made by leading researchers from around the world. The nominee list was shortlisted by the Editorial Board prior to the Fall PCCP Editorial Board meeting, at which, Professor Debashree Ghosh (Indian Association for the Cultivation of Science) was selected as the 2018 recipient.

Professor Ghosh develops and applies accurate quantum chemical methods to understand the interaction between light and coupled bio-chromophores. Electronic structure theory gives us unique tools to understand the energy states of the chromophores and their coupling to each other and therefore, gives us a glimpse into their photochemistry and photo-dynamics.

As part of the Lectureship, Professor Ghosh will be awarded a travel bursary of £1000 to attend and present at a leading international event in 2019, where she will be presented her Lectureship award. Professor Ghosh has also been invited to contribute a Perspective article to PCCP.

Many congratulations to Professor Ghosh on behalf of the PCCP Ownership Societies and Editorial Board.

Nominations for the 2019 PCCP Emerging Investigator Lectureship will open next summer, keep up to date with latest journal news on the blogTwitternewsletter and e-TOC alerts.

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Celebrating 20 years of society collaboration in physical chemistry and chemical physics

We are proud to announce that PCCP is holding a symposium at the 7th EuCheMS Chemistry Congress on Monday 27th August entitled: “Celebrating 20 years of society collaboration in physical chemistry and chemical physics”. Join us at this special one-day symposium to mark volume 20 of PCCP being published, which aims to celebrate and encourage collaboration between nations across the physical chemistry and chemical physics community.

This unique event will feature scientific talks from distinguished PCCP Editorial Board members and the recipient of the 2017 PCCP Emerging Investigator Lectureship, Professor Ryan Steele (University of Utah), covering a variety of topics that reflect journal’s broad scope. The symposium also includes a panel discussion, led by the Chair of the PCCP Ownership Board, Dr Lene Hviid (Shell) on the importance and value of collaboration in the physical chemistry community for the benefit of research and individual careers.

The symposium will be led by Professor Seong Keun Kim, the Chair of PCCP and Dr Katie Lim, PCCP Executive Editor.

Confirmed speakers include:

  • Professor Kiyotaka Asakura (Institute for Catalysis, Hokkaido University)
    “The sensitivity and resolution development of X-ray spectroscopy – smaller, faster, thinner and sparser samples”
  • Professor Piero Baglioni (University of Florence)
    “Polymer hydrogel networks and complex fluid for the conservation of modern and contemporary art”
  • Professor Luis Bañares (Universidad Complutense de Madrid)
    “Molecules under strong laser fields: Shaping ultrafast photodissociation dynamics and stereodynamics”
  • Professor Anna Krylov (University of Southern California)
    “Collaboration between theory and experiment in physical chemistry and chemical physics: The whole is larger than the sum of the parts”
  • Dr Anouk Rijs (Radboud University)
    “Peptide self-assembly; one non-covalent interaction at a time”
  • Professor David Rueda (Imperial College London)
    “How Cas9 Finds Off-Targets”
  • Professor Henry Schaefer (University of Georgia)
    “Some Chemistry Involving Hypervalent Iodine”
  • Professor Ryan Steele (The University of Utah)
    “2017 PCCP Lectureship – From Electrons to Molecular Vibrations … and Back”

Join us at the the Arena and Convention Centre Liverpool (ACC Liverpool) on Monday, 27th August for this special event. For more information, see the Full Programme.

The European Association for Chemical and Molecular Sciences (EuCheMS) is holding its 7th Chemistry Congress in Liverpool, United Kingdom on 26th – 30th August 2018. The Congress is an internationally respected, large-scale event for the chemical sciences.

For more information about this exciting conference, please visit the conference web page.

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Recent Appointees in Physical Chemistry (RAPC) 2018

Recent Appointees in Physical Chemistry (RAPC) 2018

20-22 August 2018, University of Birmingham, UK.

Registration closes on 06th August 2018

RAPC provides an important forum bringing together early-career researchers and academics appointed in the last 5-years. Established colleagues will share their experiences on becoming a research leader covering topics such as the funding landscape, innovation in teaching, public engagement, publishing and commercialisation will also be covered. Dr Steven Lee (University of Cambridge) will present his Marlow Award<http://www.rsc.org/ScienceAndTechnology/Awards/MarlowAward/2017-winner.asp> winning work on single molecule fluorescence microscopy. Conference delegates are invited to present an overview of their research via oral and poster presentations. The social programme comprises of conference dinner and numerous networking opportunities.

Registration is £100 and will cover registration, accommodation, the conference dinner and meals throughout the conference.

Don’t miss this chance to build your network and to present your research. Please submit your abstract by 31st July via following link: https://www.birmingham.ac.uk/schools/chemistry/news/events/2018/recent-appointees-physical-chemistry-2018.aspx.

For any queries, please contact Dr Ruchi Gupta (r.gupta.3@bham.ac.uk).

 

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Changes to PCCP Communication articles

PCCP Communications are urgent reports of highly original and significant work likely to have a high impact on the community and of such importance that rapid publication is justified.

We are making some changes to the format of PCCP Communications to ensure they are succinctly communicating the most urgent research.

 

From 1st August 2018, all Communications articles submitted to PCCP must:

  • Not exceed 4 printed journal pages
  • Be submitted on a Communications template
  • Include 4 or fewer figures including tables
  • Be submitted with a short statement justifying why the work merits urgent publication as a Communication

 

PCCP Communications are:

  • given priority treatment
  • fast-tracked through the publication process
  • appear prominently at the front of the journal in a dedicated Communications section ensuring rapid exposure 

 

Submit your most urgent work as a Communication here now!

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