CrystEngComm (2015) 17, 1927-1934 [ doi:10.1039/C4CE01912A ]
Machine learning algorithms can be used to create models which separate molecular materials which will form good-quality crystals from those that will not, and predict how synthetic modifications will change the crystallinity.
Chemistry World Article: Will It Crystallise
Publisher’s copy
Crystal Growth & Design (2014). 14 (12), 6294–6301. [ doi:10.1021/cg500983s ]
Investigations into the phase transition of Barluenga’s reagent revealed a transient incommensurately modulated phase. To understand the origin of the modulated phase and the chemistry that can affect it, analogues of Barluenga’s reagent were synthesized and studied. In this context, the halogen and anion can easily be exchanged. Studying different analogues led to the development of the Ratchet Model to describe the behavior in the solid state leading to a better understanding of modulation in this class of molecular crystal structure.
Publisher’s copy
29 October 2014 – Somerville College
UNESCO and the International Union of Crystallography will join Somerville this October to host a symposium marking the 50th anniversary of the award of Professor Dorothy Hodgkin’s Nobel Prize for Chemistry.
The Symposium will take place in Oxford on Wednesday 29th October and will feature a number of distinguished speakers, among them Professor (Sir) Venkatraman Ramakrishnan, winner of the Nobel Prize for Chemistry in 2009. The day will kick off with a screening of Hidden Glory: Dorothy Hodgkin in her own words, a filmed performance of a short, one-woman play about the life and work of Dorothy Hodgkin, followed by Q&A with the playwright Georgina Ferry. Â Guests will then be welcomed by Dr Alice Prochaska, Principal of Somerville College and Dr Wendy Watson-Wright, Assistant Director General of UNESCO. Â The academic programme includes a keynote talk and a panel discussion on how crystallography will continue to help solve the world’s great medical problems, after which there will be a drinks reception and a dinner in Hall.
More details are available on the Somerville College website.
Sophie is investigating control of crystallinity in poorly crystalline materials. The project will use results from and provide data for crystallisation prediction calculations carried out as part of Jerome Wicker‘s Part II and DPhil research.
Charlotte is collaborating with researchers at the University of Sydney on the control of spin-crossover properties in molecular and framework materials. She will spend four months of her project in Sydney studying these materials. While not in the lab she enjoys surfing, barbecues and Australian lager.
The CRYSTALS v14.5481 installer is now available.
This update fixes usability problems related to new features in the latest series of releases. There may be a problem with OpenGL rendering on ATI graphics cards – please report problems if you see any ‘artefacts’ while viewing crystal structure models.
Version 14.60 onwards are built with a new compiler and libraries – therefore please report any unusual installation or usage problems.
Note the slight change in version numbering (v14.62 -> v14.5481) The minor component now refers to a specific snapshot of the source code enabling us to better identify and fix bugs in older releases.
Changes
See v1460 release for more changes.
Felix is studying, designing and synthesizing quasi-racemic crystal structures to find the key requirements for making stable co-crystalline materials. He is a keen football player, and eager to represent his research group in the annual Chem Cryst vs Goodwin Group grudge match.
Marta is researching porous complexes which can be used in analysis of non-crystalline compounds. Outside of the lab Marta reads crime novels, goes to the theatre, opera and cinema. She also makes a chatty volunteer!
Welcome to our new cohort of Part II students for 2014/15: Felix Easton-Smith, Sophie Gearing and Charlotte Kirk.
The Chemistry Between Them, a new play by Adam Ganz will be first broadcast on Radio 4 on Wednesday 20th August at 14:15. The play examines the life-long friendship between Nobel Prize winning crystallographer Professor Dorothy Hodgkin and her former student (and Chem. Cryst. alumna) Margaret Thatcher. Despite their extremely different political viewpoints, the pair corresponded regularly. The events in the play are set during a visit by Dorothy to Chequers in 1983 during which she is pushing the case for nuclear disarmament.
Guardian Article: Margaret Thatcher’s Surprising Relationship with Dorothy Hodgkin
Radio 4 website: The Chemistry Between Them
Thatcher, c. 1938 (CC-BY4.0)
Hodgkin