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Research Group

Characterisation and Analytics

The Characterisation and Analytics research group specialises in research-led analytical problem-solving by using the latest instruments to examine and analyse chemical data.

Part of Chemistry

About

Our research focuses on using methods to identify, isolate or quantify chemicals and materials. We also investigate what characterises their physical properties.

Using the latest instruments and facilities, which are available to researchers across the University, we examine both organic and inorganic chemicals.

Our techniques include:

  • powder and materials X-ray diffraction
  • nuclear magnetic resonance (NMR) spectroscopy
  • mass spectrometry and chromatography-mass spectrometry

People, projects and publications

People

Dr Aileen Day

Senior Research Fellow DataEngineer PSDI

Research interests

  • Research in the physical sciences;
  • Computer modelling, programming, databases
Connect with Aileen

Email: A.E.Day@soton.ac.uk

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Dr Graham Tizzard

Operations Manager, Nat Crystallography
Connect with Graham

Email: Graham.Tizzard@soton.ac.uk

Tel: +44 23 8059 6722

ORCID

Professor John Langley

Professorial Fellow-Enterprise

Research interests

  • The application of separation science and mass spectrometry as a routine tool for chemistry/chemical biology/oilfield chemistry;
  • Probing new areas for research using these tools;
  • The application of hyphenated approaches (GC-MS, GCxGC-MS, HPLC-MS & SFC-MS).
Connect with John

Email: G.J.Langley@soton.ac.uk

Tel: +44 2380592182

ORCID

Dr Julie Herniman

Senior Experimental Officer

Research interests

  • chromatography-mass spectrometry
  • supercritical fluid chromatography-mass spectrometry
  • high resolution mass spectrometry
Connect with Julie

Email: J.M.Herniman@soton.ac.uk

Tel: +44 23 8059 3320

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Dr Laura Mccormick BSc(Hons) Melb

Research Fellow
Connect with Laura

Email: L.J.Mccormick@soton.ac.uk

Tel: +44 23 8059 6722

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Dr Mark Light

X Ray Diffraction Manager

Research interests

  • Single crystal X-ray diffraction
  • Powder and materials X-ray diffraction
  • Total scattering and pair distribution function analysis

Accepting applications from PhD students

Connect with Mark

Email: M.E.Light@soton.ac.uk

Tel: +44 23 8059 9429

ORCID

Dr Neil Wells

Sen Exp Officer in NMR Spectroscopy

Research interests

  • Applied NMR Spectroscopy
  • Structural elucidation by NMR Spectroscopy
Connect with Neil

Email: N.J.Wells@soton.ac.uk

Tel: +44 23 8059 3593

ORCID

Dr Nicola Knight

Coordinator-PSDI
Connect with Nicola

Email: N.Knight@soton.ac.uk

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Dr Raymond Whorley

Research Software Engineer (PSDI)
Connect with Raymond

Email: R.P.Whorley@soton.ac.uk

Tel: +44 23 8059 6805

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Professor Simon Coles

Professor of Structural Chemistry

Research interests

  • The work we do is highly collaborative and multidisciplinary and can broadly be split into three overlapping themes:
  • 1) National Crystallography Service (NCS, www.ncs.ac.uk) & Physical Sciences Data-science Service (PSDS, www.psds.ac.uk) These national centres provide centralised facilities for UK researchers at a level that is beyond that achievable in any single institution. The NCS provides data collection and crystal structure analysis for the UK chemistry community. It also performs projects based on more advanced techniques, involving a dedicated team of experts employing cutting edge techniques and the use of very high-powered laboratory diffractometers or the UK synchrotron, Diamond. The PSDS provides national-level access to databases and is building infrastructure on top of these to drive and support data-driven approaches to scientific discovery.
  • 2) Structural Chemistry We have an interest in determining the mechanisms of solid-state reactions and transformations and use a variety of diffraction and physical characterisation methods for this. Other work focuses on discovering and investigating structure-property relationships, the determination of charge densities and their properties and 'value-added' quantum mechanical calculations to compute properties from crystal structures. We also collaborate with other disciplines in a number of areas such as macromolecular crystallography (Biology), crystal growth (biology) and CT imaging (Engineering).

Accepting applications from PhD students

Connect with Simon

Email: S.J.Coles@soton.ac.uk

Tel: +44 23 8059 6721

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The ability to elucidate complex atomic-scale structures through their interactions with X-rays is truly incredible.
Dr Mark Light
X Ray Diffraction Manager