THE COMMITTEE

Dr Helen Blade[email protected] (Chair)

I graduated from Liverpool University with a PhD under Prof. Matt Rosseinsky in the field of functional materials, linking the crystal structure of a material to its properties.

As an associate principal scientist (structural science) working in AstraZeneca, Macclesfield since 2008, I have continued to work in this field and have recently been leading the establishment of crystal structure assessment to predict and explain the properties of pharmaceutical materials.

Dr Luca Russo – [email protected]   (Vice-Chair)

Currently working as crystallographer for GlaxoSmithKline (GSK) in the Physical Properties department, part of product development, with main remit in the structural characterisation and property modelling of crystalline drug substances. After a PhD in supramolecular chemistry and Single-Crystal XRD methods at Newcastle University with Prof. Bill Clegg, I have been working as PDRA in crystallography for some years in the research groups of Prof. Kari Rissanen (Jyväskylä University, FI) and Prof. Bill Clegg, before moving on to the more technological side of things, working as XRD application scientist for Rigaku Europe, previous to my current role. Main scientific interests: Single-Crystal XRD, XRPD structure solution & Rietveld refinement, physical properties of crystalline materials, structural informatics, Pair Distribution Function.

Dr Angeles Pulido[email protected] (Secretary)

Dr Angeles Pulido obtained her degree in Chemistry from the University of Oviedo (Asturias, Spain). After working in the private sector, in IT and R&D departments of multinational companies, she returned to academia earning her PhD in Computational Chemistry from the Polytechnic University of Valencia (Spain), with Prof. Germán I. Sastre Navarro, to study the role of organic and inorganic additives in the synthesis of zeolites. She went on to do a postdoc with Prof. Petr Nachtigall (Prague, Czech Republic), where her research focussed on ab initio modelling of the thermodynamics of gas sorption into zeolite microporous void space. After that, she moved to the Institute of Chemical Technology (Valencia, Spain) to work in Prof. Avelino Corma’s group, where she applied computational techniques to investigate the structure of heterogenous catalysts and catalysed reaction mechanism. Angeles then moved to the University of Southampton (Southampton, United Kingdom) to join Prof. Graeme M. Day’s group where she used computational crystal structure prediction (CSP) and ab initio NMR crystallography as tools for the rationalization, prediction and resolution of the structure of organic molecular crystals. Angeles joined the CCDC in June 2017 as Research and Application Scientist within the Materials Science team to applied computational techniques to study organic molecular crystals relevant to pharmaceutical industry, with especial interest in computer-aided function materials design.

Miss Katy Alexander[email protected] (Treasurer)

I am currently a principal scientist at Pfizer, where I lead a solid form screening and characterisation team.  I utilise a variety of solid-state techniques to explore and understand the solid form landscape of our API’s, starting materials and synthetic intermediates throughout product development.  My main focus is on salt, polymorph, hydrate and early crystallisation screening of these pharmaceutical materials, including the use of automation and high-throughput PXRD.

My early career was in analytical chemistry following an industrial placement at Pfizer as part of my MChem degree at the University of York.  I first moved into pharmaceutical materials science in 2007 and have continued in this field, holding roles in both big pharma and CRO’s.

Dr Anthony Bell – [email protected]

First degree in Chemistry at University of Sheffield 1981-84, in my final year I did a single-crystal research project which got me into crystallography. This helped me get my first job with AEA Technology near Preston (1985-90) when I did X-ray powder diffraction on nuclear and non-nuclear materials. I then left for academia; I worked at the Daresbury Synchrotron Radiation Source 1990-95, where I got a M.Sc. in chemistry from Keele. I then went up to Cambridge University to be a mature PhD student in chemistry (1995-99). I then did postdocs in Montpellier (France), Oxford and Manchester before returning to Daresbury (2005-8) to be a powder diffraction beamline scientist. After the closure of the Daresbury SRS in 2008 I went to Hamburg in Germany (2009-12) to be a powder diffraction beamline scientist on the DORIS synchrotron. I returned to the UK in 2013 and worked as an XRD/SEM experimental officer at Newcastle University 2014-15. In 2015 I returned to Sheffield where I run an XRD/XRF laboratory at Sheffield Hallam University. My research interests are powder diffraction, synchrotron radiation and crystal structures of minerals from powder data.

Miss Judith Shackleton – [email protected]

Judith Shackleton, CEng. CSci. received an MSc from the University of Aston in 1984 and has worked the field of X-ray crystallography for over 40 years. She retired from full time work in the Civil Large Engines Division of Rolls-Royce plc in December 2020 where she was responsible for most of their X-ray diffraction analysis, principally the measurement of residual stress and phase identification. She has worked in both Industry and academia including, Lucas Industries, Philips Analytical (now Malvern Panalytical), The University of Manchester Department of Materials Science and finally Rolls-Royce.

Her principal interests are residual stress measurement; primarily those based on laboratory X-ray sources, phase identification, line broadening and crystallographic texture. Although now retired she retains an active interest in the field.

Dr Irina Gordovskaya – [email protected]

I graduated from University of Manchester with a PhD supervised by Prof. George Thompson and Prof. Peter Skeldon (corrosion protection of aluminium alloys using rare earth species).

Currently working as advanced technologist for NSG Group in the Surface analysis and materials properties department, providing technical support for manufacturing lines and teams within the R&D.

Dr Natalie Johnson[email protected](Young Crystallographer Representative)

I am currently a post-doctoral researcher at the Cambridge Crystallographic Data Centre, working in data integrity.

My main area of research is in the completeness of data within the Cambridge Structural Database – a database of 1 million small-molecule organic and metal organic crystal structures. I also explore ways to identify and investigate any fraudulent or plagiarised data within the database.

Previously, I was a PhD student at Newcastle University, investigating the reproducibility of charge density data refinements.

Dr Christian Schürmann – [email protected]

I have a background in crystallography – more specifically in the field of experimental charge density and single crystal data quality assessment. I joined Rigaku as applications specialist last year and have been more and more involved in the powder diffraction applications since then. Through these applications, I am in ever-growing contact with our industrial partners and customers – thus I have been asked and would be honoured to join BCA-IG committee as Rigaku representative.

Dr Paul O’Meara – [email protected]

I have worked as an XRD Specialist for Malvern Panalytical since 2001 as an X-ray Diffraction Product Technical Specialist. I train and support XRD users in the full range of analytical techniques that a modern diffractometer is capable of. While focused mainly on customers in the UK I have taught in labs all over the world in a diverse range of industrial and academic institutions. Previous to this, I worked as a powder metallurgist and hold a PhD in solid state chemistry from the University of Nottingham.

Dr Jonathan Loughrey[email protected]

Currently Head of Screening for Cambrex Edinburgh (formerly Solid Form Solutions), I oversee the drug substance pre-formulation technical group specialising in screening pharmaceutical agents for novel polymorphs, salts, and co-crystals, and conducting early crystallization and single crystal growth studies to locate a crystalline form of a specific pharmaceutical target. My career started at Abbott B.V. in The Netherlands where I specialised in the quantitative determination of polymorphic forms within drug substance batches, using XRPD, vibrational spectroscopy and chemometrics. I then pursued a Ph.D. in the Halcrow group at the University of Leeds, focussing on investigating the metal-supported redox activity of multivalent bis- and tris-dioxolenes and dithiolenes. Following my Ph.D., I held a number of roles within academia, including the staff crystallographer post at the University of Leeds and a PDRA at University of Arizona where I focussed on the preparation and full structural characterisation of haem degradants and the preparation of organic-supported radical species for redox catalysis.

At Cambrex, my interests lie in understanding the utility and process viability of hydrated forms of active pharmaceutical agents, with a particular interest in chiral species, racemates, and conglomerates.

Dr Christopher Cameron[email protected]

I graduated with an MChem with Honours from the University of Edinburgh in 2010, and then completed a PhD in chemical crystallography under Professor Simon Parsons at the University of Edinburgh in 2014. The main focus of my PhD was the development and utilization of novel high-pressure low-temperature SXRD techniques, with the aim of elucidating structure-property relationships in coordination compounds with interesting properties under these conditions. Following this I undertook a one year postdoctoral position in time-resolved crystallography under Professor Paul Raithby at the University of Bath in 2015. After a short period I moved into the pharmaceutical industry as a solid form scientist with Eurofins in 2018, and then progressed to a senior scientist with Pfizer in 2020. In my current role I utilize a variety of solid-state techniques to explore the solid form landscape of APIs, provide crystallographic expertise to colleagues in order to solve problems or understand outcomes, and develop improvements to our crystallographic methods.

We have plenty of space to get involved, if you’d like to know more please get in touch!  Dr Helen Blade[email protected]