Jane Hordern, Deputy Editor – Page 17

Author Archive

Protein–water electrostatics: bioenergetics principles

29 Oct 2010

HOT Perspective review article – read it now

David LeBard and Dmitry Matyushov show that standard considerations based on rules of Gibbs thermodynamics are not sufficient, and the dynamics of the protein and the protein–water interface need to be involved. The protein–water tandem allows both the formation of a ferroelectric mesophase in the hydration shell and an efficient control of the energetics by manipulating the relaxation times.

Protein–water electrostatics and principles of bioenergetics
David N. LeBard and Dmitry V. Matyushov
Phys. Chem. Chem. Phys., 2010, DOI: 10.1039/C0CP01004A

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PCCP periodic table paper in the press

28 Oct 2010

Pekka Pyykkö’s (PCCP Editorial Board Chair) theoretical study which extends the periodic table from 118 to 172 elements using Dirac-Fock calculations, has been featured on a number of top scientific news sites, including in The Alchemist and Chemie.de.

Read the news stories:

Read the PCCP paper now:
A suggested periodic table up to Z ≤ 172, based on Dirac–Fock calculations on atoms and ions
P Pykko, Phys. Chem. Chem. Phys, 2010
DOI: 10.1039/ c0cp01575j

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A novel definition for the hydrogen bond

26 Oct 2010

An IUPAC task group chaired by PCCP Advisory Board member Professor Arunan (Indian Institute of Science) has recommended a novel definition for the hydrogen bond:

“The hydrogen bond is an attractive interaction between a hydrogen atom from a molecule or a molecular fragment X–H in which X is more electronegative than H, and an atom or a group of atoms in the same or a different molecule, in which there is evidence of bond formation.”

For more information on the task group and to view the provisional recommendation see the IUPAC report.

You can also read Professor Arunan’s recent PCCP Perspective review article:

The hydrogen bond: a molecular beam microwave spectroscopist’s view with a universal appeal
Mausumi Goswami and E. Arunan
Phys. Chem. Chem. Phys., 2009, 11, 8974-8983

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Off-magic-angle sample spinning

26 Oct 2010

HOT Communication article – estimating dipolar couplings

In this Communication by Malcolm Levitt and colleagues, dipolar couplings between selected pairs of nuclei in a solid are estimated by off-magic-angle sample spinning.

Read it now:

Selective internuclear coupling estimation in the solid-state NMR of multiple-spin systems
Pierre Thureau, Andrea C. Sauerwein, Maria Concistrè and Malcolm H. Levitt
Phys. Chem. Chem. Phys., 2010,
DOI: 10.1039/C0CP01262A

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Periodic table extended from 118 to 172 elements

22 Oct 2010

An extended periodic table with 54 predicted elements has been mapped out and is reported in Physical Chemistry Chemical Physics this week.

Pekka Pyykkö uses a highly accurate modern computational model to predict electronic structures and therefore the periodic table positions of elements up to proton number 172 – far beyond the limit of elements that scientists can currently synthesise.

The extra 54 super heavy elements predicted by Pyykkö may exist under extreme conditions with very short lifetimes due to radioactive decay but have not yet been synthesised. The work shows how the rules of quantum mechanics and relativity function in determining chemical properties, says Pyykkö, such as the potentially record-high oxidation states that he predicts.

Mendeleev’s classification of elements into groups and periods was given a solid theoretical foundation by the development of chemical quantum mechanics in the early 20th century. Quantum mechanical rules describing interactions of electrons and protons dictate electronic structures for elements which give rise to the properties of elements and therefore their positions in the periodic table.

Read the paper now:
A suggested periodic table up to Z ≤ 172, based on Dirac–Fock calculations on atoms and ions
P Pykko, Phys. Chem. Chem. Phys, 2010
DOI: 10.1039/ c0cp01575j

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PCCP Honorary Board member William H. Miller awarded Ahmed Zewail Prize

19 Oct 2010

Congratulations to PCCP Honorary Board member William H. Miller, who has been awarded the 2011 Ahmed Zewail Prize in Molecular Sciences, for his research into molecular collision theory and chemical reaction dynamics.

PCCP will be publishing a themed issue on Molecular Collision Dynamics, Guest Edited by Editorial Board members Piergiorgio Casavecchia and David Nesbitt – submit your paper before 08 November 2010!

Professor Bill Miller from the University of California, Berkeley, USA, will recieve the award at the 2011 Spring ACS Meeting in California – look out for Editor of PCCP, Philip Earis who will be attending the meeting and would love to meet you there!

Learn more about PCCP and our different Boards.

Sign-up to the free PCCP e-alerts to receive the latest news and issue contents direct to your inbox.

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Eye-friendly light sources – PCCP paper featured in Science Daily

18 Oct 2010

A PCCP paper on tuneable white fluorescence has been highlighted in Science Daily and on Photonics Online.

In this paper scientists have discovered that organic substrates can emit white light with a continuous spectrum, providing evidence that only a single component luminophore will be needed to construct eye-friendly light sources and displays.

Read the exciting article now:
Tuneable white fluorescence from intramolecular exciplexes
Jerzy Karpiuk, Ewelina Karolak and Jacek Nowacki
Phys. Chem. Chem. Phys., 2010, 12, 8804-8809

Read the press coverage: Artificial White Light Becomes Eye-Friendly

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Nobel Laureate Yuan Tseh Lee joins PCCP Honorary Board

06 Oct 2010

We are delighted to announce that renowned scientist Yuan Tseh Lee has joined the PCCP Honorary Board.

Learn more about PCCP and our different Boards – which contain other Nobel Prize Laureates…

Professor Lee was the first Taiwanese to win the Nobel Prize – along with John Polanyi and Dudley R. Herschbach, they won the Nobel Prize in Chemistry in 1986 “for their contributions to the dynamics of chemical elementary processes.”

Their ground-breaking work made it possible to analyze much larger and more complex chemical molecules than those previously studied.

Lee studied at the National Taiwan University and National Tsinghua University, and in 1962 moved to the University of California at Berkeley to complete his Ph.D, where he later became a professor of chemistry. In 1994 Professor Lee returned to his home country, Taiwan, to serve as President of Academia Sinica.

Sign-up to the free PCCP e-alerts to receive the latest news and issue contents direct to your inbox.

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Coherence and Control – extended oral abstract deadline

04 Oct 2010

Faraday Discussion 153: Coherence and Control in Chemistry
25 – 27 July 2011 Leeds, UK

***Extended oral abstracts deadline: 15th October 2010 – submit your abstract for oral presentation today***

This meeting will bring together experimentalists and theoreticians working in all areas of physics and chemistry who have an interest in probing and controlling chemical interactions at the quantum resolved level with the aim of defining the future challenges in the field of molecular reaction dynamics and coherent control.

See the Faraday Discussions Blog for more information.

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Biomimetic membrane at a gold electrode surface

30 Sep 2010

biomimetic membrane ‘HOT’ PCCP Perspective article – read it today:

In this feature article neutron reflectivity, infrared spectroscopy and scanning probe microscopies are employed to study structure and electric field driven transformations of lipid bilayers supported at a gold electrode surface.

Building biomimetic membrane at a gold electrode surface
Jacek Lipkowski
Phys. Chem. Chem. Phys., 2010, DOI: 10.1039/C0CP00658K

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