Author Archive

Chemistry World news article on CrystEngComm enamel regeneration paper

A CrystEngComm Hot article on using nanofibre mats to remineralise tooth enamel has been picked up by the society magazine Chemistry World.

This fascinating paper from Stephen Mann’s group at Bristol University, describes a way to reduce hypersensitivity in teeth.

Read the Chemistry World news story, or access the original paper:

Electrospun mats of PVP/ACP nanofibres for remineralization of enamel tooth surfaces
Jane Fletcher, Dominic Walsh, Christabel Emma Fowler and Stephen Mann
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00806K, Paper

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January Crystal Clear: Strontium sulphate stars

This month’s Crystal Clear is a strontium sulphate nano-star, made by a two step growth process from SrCrO4 nanowires in a solution of Na2SO4 at room temperature.

Liang Zhen and colleagues at Harbin Institute of Technology, China published this work in Issue 3 of CrystEngComm

Synthesis and formation process of SrSO4 sisal-like hierarchical structures at room temperature
Wen-Shou Wang, Liang Zhen, Cheng-Yan Xu and Wen-Zhu Shao
CrystEngComm, 2011, 13, 620-625
DOI: 10.1039/C0CE00062K, Paper

READ FOR FREE until 21st February

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FREE Chemistry World Webinar

Chemistry World are hosting the first Chemistry World webinar on 31 January. This will include an active audience in Burlington House and be FREE to watch online.

Find out more by reading the blog, and to find out how to register.

Connecting Chemistry and Mass Spectrometry on the Internet – ChemSpider
Monday 31 January 2011


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HOT Article: Use of DFT for physisorption

This latest work from Marcus A. Neumann’s group uses dispersion-corrected density functional theory to look at the energy minimisation of 2,6-bis(2,4-dichlorobenzylidene)cyclohexanone. In this CrystEngComm Hot article they discover that this method predicts the low-temperature phase transition seen in experiment.

As the authors state ‘we believe that DFT-D energy minimisation provides a valuable tool since the calculations have now been shown to be sufficiently reliable to guide experimental studies towards targets most likely to exhibit interesting temperature dependent variation’

READ the full article for free until 18th February

Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation
Andrew D. Bond, Katarzyna A. Solanko, Jacco van de Streek and Marcus A. Neumann
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00676A, Communication

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Meet The Team: Conferences in 2011

Jamie Humphrey, CrystEngComm‘s Managing Editor, and Ruth Doherty, Deputy Editor are planning on attending a number of conferences this year. You will be able to find us at:

27/03/2011, ACS National Meeting and Exposition, Anaheim, California, USA, Meet Jamie
11/04/2011, British Crystallographic Association, Keele, UK, Meet Ruth
01/05/2011, Coordination Chemistry Discussion Group, UK, Meet Ruth
05/06/2011, 94th Canadian Chemistry Conference and Exhibition, Montreal, Canada, Meet Jamie
10/07/2011, British Assocation of Crystal Growth, London, UK, Meet Jamie
17/07/2011, GRC: Thin Film & Crystal Growth Mechanisms, Biddeford, ME, USA, Meet Jamie
22/08/2011, IUCr 2011 XXII Congress and General Assembly, Madrid, Spain, Meet Ruth

If you are attending these conferences and would like to meet Jamie or Ruth, please contact us at

crystengcomm-rsc@rsc.org


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HOT Article: Using supercritical water to make hybrid ceria nanoparticles

In this CrystEngComm Hot article, Minori Taguchi and colleagues make CeO2 nanoparticles with hydrophilic polymers attached to the surface. Hybrid nanoparticles like these are especially useful as they allow the physical properties of the metal oxide to be combined with the desirable tunablity of the organic molecules.

Ceria nanoparticles are used in many applications from three-way catalysts to oxygen ion conductors, and also in cosmetics, for their UV shielding.

Read the full article to see how these researchers used an efficient supercritical hydrothermal method to make these interesting particles…

READ FOR FREE until 5th February

Supercritical hydrothermal synthesis of hydrophilic polymer-modified water-dispersible CeO2 nanoparticles
Minori Taguchi, Seiichi Takami, Tadafumi Adschiri, Takayuki Nakane, Koichi Sato and Takashi Naka
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00467G, Paper

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Interview: Davide Proserpio talks to CrystEngComm

Davide Proserpio discusses topological crystal chemistry, amongst other things, with CrystEngComm

Professor Proserpio works in the field of applied theoretical chemistry at the Dipartimento di Chimica Strutturale e Stereochimica Inorganica in Milan, Italy.  He is a member of the CrystEngComm advisory board.

1) Why did you to become a scientist?

I was child with a very enquiring mind, always curious about the fact of nature and science.  So I decided to find some high school that could give me a good scientific background, and the only one available near my hometown was a technical school in chemistry… so I started chemistry at 14 and I never abandoned the field!

2) What projects are you working on at the moment?

Applications of what I call “topological crystal chemistry” to all possible crystal structures from the entanglements in coordination networks, to the analysis of the zeolites and intermetallics compounds in terms of nanoclusters, to the nets formed by halogen bonding.

3) What do you think will be the next big breakthrough in your field?

I dream of a computer expert system that will predict with a high probability the overall topology (including possible entanglements) for a coordination framework composed of a given set of building units.

4) How do you think crystal engineering will develop in the next five years?

The number of examples of planned synthesis of predicted architectures will increase, and there will be market application of MOFs.

5) What is the most rewarding aspect of your work?

To work in connection with people all around the world and from very different backgrounds, from crystallographers, to mathematician and physicists.  And being able to put them in connection to solve complex problems.

6) What is the secret to a successful research group?

Interdisciplinarity and an open mind.

7) What achievement are you most proud of?

Two computer programs:

CACAO (Computer Aided Composition of Atomic Orbitals) for Extended Huckel calculation on PC following the applied theoretical chemistry approach I learned from Carlo Mealli and Roald Hoffmann, and TOPOS, that is written and developed mostly by my friend Vladislav Blatov, but that I helped to extend to the field of topological crystal chemistry.

8 ) What advice would you give to a young scientist?

Don’t get too narrow minded in your field but look around for connections.

9) What would you do if you weren’t a scientist?

I never think in terms of “what if”, but my other interests are movies and cuisine… so probably a chef or a movie critic…
or both?

10) Can you tell us a little known fact about yourself?

I like to read modern comics, in particular graphic novels :  Will Eisner, Jiro Taniguchi, Art Spiegelman, Joe Sacco…

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HOT Article: Mapping the empty spaces in crystals

This latest paper from Mark A. Spackman‘s group, based at the University of Western Australia, explores the void space in crystal structures.

An appreciation of the empty spaces in crystalline materials is vital to our understanding of how these materials behave, and in this paper, these scientists do just that. They use a new computational modelling approach to map the voids in molecular solids. Their method can be applied to molecular crystals, organic, metal–organic and inorganic polymers, so that we can understand and improve their use in various applications from gas storage to catalysis and separation.

Read this CrystEngComm Hot article FOR FREE until January 20th.

Visualisation and characterisation of voids in crystalline materials
Michael J. Turner, Joshua J. McKinnon, Dylan Jayatilaka and Mark A. Spackman
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00683A, Paper

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CrystEngComm Cover Image: Issue 2 now published

In this fortnight’s issue of CrystEngComm the outside cover showcases work by O-Pil Kwon and colleagues at Ajou University, Suwon, Korea and collaborators at the Korea Advanced Institute of Science and Technology and the Nonlinear Optics Laboratory, Zurich, Switzerland . The image shows a N-benzyl stilbazolium nonlinear optical chromophore with a non-polar benzyl group achieving acentric molecular ordering in the crystalline state.

The inside cover was produced by Mathias Wagner and co-workers, and shows thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer.

View the issue online here: CrystEngComm Issue 2, 2011

Outside cover article:

Acentric nonlinear optical N-benzyl stilbazolium crystals with high environmental stability and enhanced molecular nonlinearity in solid state
Pil-Joo Kim, Jae-Hyeok Jeong, Mojca Jazbinsek, Seong-Ji Kwon, Hoseop Yun, Jong-Taek Kim, Yoon Sup Lee, In-Hyung Baek, Fabian Rotermund, Peter Günter and O-Pil Kwon
CrystEngComm, 2011, 13, 444-451
DOI: 10.1039/C0CE00456A, Paper

Inside cover article:

Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer
Ngoc Hien Phan, Ivan Halasz, Ingo Opahle, Edith Alig, Lothar Fink, Jan W. Bats, Pham Thanh Cong, Hans-Wolfram Lerner, Biprajit Sarkar, Bernd Wolf, Harald O. Jeschke, Michael Lang, Roser Valentí, Robert Dinnebier and Matthias Wagner
CrystEngComm, 2011, 13, 391-395
DOI: 10.1039/C0CE00367K, Communication

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Happy Christmas from CrystEngComm

The Editorial Board and team at CrystEngComm would like to wish all their readers a very merry Christmas.

We are looking forward to an exciting time next year, with 24 issues of high quality crystal engineering research to appear in 2011. Following on from a fantastic year, where CrystEngComm acheived a 2009 impact factor of 4.18, we are expecting great things in 2011. Read the CrystEngComm editorial for more information.

The RSC Publishing office will be closed over Christmas, from 25th December until 4th January. We look forward to receiving your submission in the New Year. Submit your paper online now.

Best wishes and have a safe and happy holiday,

CrystEngComm Editorial Office

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