Details of Grant

EPSRC Reference:

GR/S24114/01

Title:

Basic Technology: Control and Prediction of the Organic Solid State

Principal Investigator:

Other Investigators:

Harris, Professor KDM	Florence, Professor AJ	Tremayne, Dr M
Tocher, Professor DA	Catlow, Professor R	David, Professor B
Wilson, Professor CC	Leslie, Dr M

Researcher Co-Investigators:

Project Partners:

AstraZeneca	Avecia Limited	Ben-Gurion University(israel)
Cambridge Crystallographic Data Centre	GlaxoSmithKline plc (GSK)	University of Strathclyde

Department:

Chemistry

Organisation:

UCL

Scheme:

Standard Research (Pre-FEC)

Starts:

01 October 2003

Ends:

31 March 2008

Value (£):

2,438,768

EPSRC Research Topic Classifications:

Chemical Structure	Modelling & simul. of IT sys.
Physical Organic Chemistry

EPSRC Industrial Sector Classifications:

Chemicals

Pharmaceuticals and Biotechnology

Related Grants:

Panel History:

Summary on Grant Application Form

Many organic materials can adopt more than one solid state form. This can be exploited in the development of new speciality materials with optimised physical properties such as non-linear optical coefficients, or in the case of pharmaceuticals, it can prove disastrous when the new form appears unexpectedly during the production or storage. This proposal seeks to understand the mysterious phenomenon of polymorphism, by developing a range of experimental and computational technologies to provide a complete atomistic description of the polymorphs of several organic molecules. These include the use of automated crystallisation techniques to find all likely polymorphs, diffraction technology to gain an understanding of the structures and transformations between different polymorphs, nuclear magnetic resonance to detect the structures of the initial nuclei, and computer simulation to predict possible structures and their physical properties. The results of these studies will be used in developing a database of known and hypothetical crystal structures and their properties, covering a wide range of organic molecules and capable of easy extension, so that it provides the basic technology for polymorph prediction and control.

Key Findings

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Potential use in non-academic contexts

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Impacts

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Summary
Date Materialised

Sectors submitted by the Researcher

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Project URL:

http://www.cposs.org.uk

Further Information:

Organisation Website: