Nanoparticles to detect simultaneous fluorescence and absorption

gold nanoparticles fluorescenncePCCP ‘HOT’ articleread it today hot of the press!

Michel Orrit and colleagues propose to use single 20 nm diameter gold nanoparticles as a calibration standard for simultaneous detection of fluorescence and absorption (by means of photothermal detection).

Making gold nanoparticles fluorescent for simultaneous absorption and fluorescence detection on the single particle level
Alexander Gaiduk, Paul V. Ruijgrok, Mustafa Yorulmaz and Michel Orrit
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01389G

Look out for the PCCP themed issue in January 2011 on Single-Molecule Optical Studies of Soft and Complex Matter, Guest Edited by Michel Orrit, – sign-up to our free contents e-alerts to receive this direct to your inbox

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Protein–water electrostatics: bioenergetics principles

HOT Perspective review articleread 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

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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Top Ten most-read PCCP articles in September

The latest top ten most accessed PCCP articles

See the most-read papers of September 2010 here:

Frank Endres and Sherif Zein El Abedin, Phys. Chem. Chem. Phys., 2006, 8, 2101-2116
DOI: 10.1039/B600519P
 
Lin Guo, Qunjian Huang, Xiao-yuan Li and Shihe Yang, Phys. Chem. Chem. Phys., 2001, 3, 1661-1665
DOI: 10.1039/B009951L
 
Mordechai L. Kremer, Phys. Chem. Chem. Phys., 1999, 1, 3595-3605
DOI: 10.1039/A903915E
 
David J. Earl and Michael W. Deem, Phys. Chem. Chem. Phys., 2005, 7, 3910-3916
DOI: 10.1039/B509983H
 
Katharina Bica, Christiaan Rijksen, Mark Nieuwenhuyzen and Robin D. Rogers, Phys. Chem. Chem. Phys., 2010, 12, 2011-2017
DOI: 10.1039/B923855G
 
K. J. P. Schouten, M. J. T. C. van der Niet and M. T. M. Koper, Phys. Chem. Chem. Phys., 2010 Advance Article
DOI: 10.1039/C0CP00104J
 
Christopher J. Cramer and Donald G. Truhlar, Phys. Chem. Chem. Phys., 2009, 11, 10757-10816
DOI: 10.1039/B907148B
 
Christopher J. Orendorff, Latha Gearheart, Nikhil R. Jana and Catherine J. Murphy, Phys. Chem. Chem. Phys., 2006, 8, 165-170
DOI: 10.1039/B512573A
 
Kazuhide Ueno, Hiroyuki Tokuda and Masayoshi Watanabe, Phys. Chem. Chem. Phys., 2010, 12, 1649-1658
DOI: 10.1039/B921462N
 
Shuxun Cui, Phys. Chem. Chem. Phys., 2010, 12, 10147-10153
DOI: 10.1039/C002414G
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A novel definition for the hydrogen bond

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

HOT Communication article – estimating dipolar couplings

off-magic-angle sample spinningIn 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

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

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

white lightA 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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PCCP Themed Issue: Weak Hydrogen Bonds – Strong Effects?

Call for papers: Weak Hydrogen Bonds – Strong Effects?

Deadline for Submission: 08 March 2011

A wide variety of weak hydrogen bonds at the limit of the classical definition play a very decisive role in the physico-chemical properties of molecular assemblies. In contrast to classical hydrogen bonds, the modeling of weak hydrogen bonds remains in its infancy, because it requires very high level electronic structure calculations and involves subtle influences of the environment and thermal excitation. A range of spectroscopic and other physico-chemical techniques have to be combined to make significant progress.

The themed issue will be published in PCCP in summer 2011 and will be displayed at relevant international conferences to maximise the visibility of the work published, including the XIX Congress on “Horizons in Hydrogen Bond Research to be held in Göttingen in September 2011.

Submissions should be high quality manuscripts of original, unpublished research.

Both Communications and Full Papers can be submitted for consideration, which will be subject to rigorous peer review.

Please indicate upon submission that your manuscript is intended for this themed issue.

Pass this invitation on to any relevant colleagues!

Read more about PCCP

See more PCCP Themed Issues

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