The Birchall Centre Keele University UK Activity Report 2013 The Birchall Centre Keele University CONTACT INFORMATION Birchall Centre Lennard Jones Laboratories Keele University Keele ST5 5BG Staffordshire UK Centre Director Dr Vladimir Zholobenko Tel: +44 (0)1782 734352 email: v.l.zholobenko@keele.ac.uk Secretary Dr Chrystelle Egger Tel: +44 (0)1782 733337 email: c.c.egger@keele.ac.uk The Birchall Centre, Keele University, UK, 2013 Table of Contents 1- Introduction p. 2 2- Members List p. 3 3- News Update p. 6 4- Research Highlights p. 7 5- Projects and Grants p. 11 6- Conferences, Workshops and Presentations p. 14 7- Seminars, Visits and Collaborations p. 16 8- Funding and Acknowledgements p. 19 9- Publications p. 20 10- Key Research Equipment p. 23 - 1- The Birchall Centre, Keele University, UK, 2013 1- The Birchall Centre for Inorganic Chemistry and Materials Science: 1992-2014 The Birchall Centre started its life in 1992 as the Unit for Inorganic Chemistry and Materials Science. It was the idea of the late Professor JD Birchall FRS OBE who along with Dr C Exley and Professor K Kendall FRS came to Keele University following the re-organisation of what was then, the United Kingdom’s largest chemical company, Imperial Chemical Industries, ICI. The Unit was established with the support of Sir Brian Fender (at this time the Vice-Chancellor at Keele) and Sir Ronald Mason (the Chairman of CERAM Research in Stoke-on-Trent). The philosophy behind setting up the Birchall Centre was simple and has not really changed to this day. It was to provide an academic environment in which fundamental and applied sciences across a breadth of fields would both prosper and inform one another. To understand a problem at the fundamental level and to look to apply the knowledge gained within everyday life. The Unit started off with three general themes; Aluminium and Silicon in Biology; Cement Chemistry; and Fuel Cells; and these simply reflected the research interests of its founders, Chris Exley, Kevin Kendall and Derek Birchall. The Unit soon became a ‘Centre’ (being officially opened in 1994 by Sir Geoffrey Wilkinson FRS) before the untimely death of Derek Birchall in late 1995. The Centre was re-named in his honour (by Professor RJP (Bob) Williams FRS) and continues to this day to foster his philosophy of fundamental science informing everyday life. The Birchall Centre today embraces a wide diversity of research interests and though the general themes of inorganic chemistry and materials science still prevail to some extent, all areas of science which fit well with the aforementioned philosophy are always welcome. Link to the Birchall Centre web page, where further information can be found: http://www.keele.ac.uk/birchallcentre/ Link to the RSC Materials for Industry - Dereck Birchall Award Launched in 2008: http://www.rsc.org/ScienceAndTechnology/Awards/MaterialsforIndustryAward/ - 2- The Birchall Centre, Keele University, UK, 2013 2- Members List “Porous Materials” Dr Chrystelle Egger Lecturer in Chemistry & Forensic (0.5 FTE) Raphael Pastorello Internship Summer 2013 “Bioinorganic Chemistry of Aluminium and Silicon” Prof. Exley Dr. Beardmore Dr. Mold Prof Christopher Exley Professor of Bioinorganic Chemistry Dr James Beardmore Post-doctoral Researcher Dr Matthew Mold Post-doctoral Researcher Krista Jones PhD Student Ambreen Mirza PhD Student Emma Shardlow PhD Student Ian Stokes PhD Student Gulnar Vasta PhD Student “Computer Modelling of Inorganic Materials” Dr Rob Jackson Reader in Chemistry Thomas Littleford PhD Student Scott Walker PhD Student - 3- The Birchall Centre, Keele University, UK, 2013 “Catalysis and Sustainable Materials” Professor Mark Ormerod Pro Vice-Chancellor (Research and Enterprise) Professor of Clean Technology & Inorganic Materials Chemistry Dr John Staniforth Research Associate Sam Evans PhD Student Oliver Good PhD Student Sophie Bessant PhD Student James Johns MPhil Student Nicola Ruston MPhil Student Matt Cupas Research Student (Summer 2013) “Sensors And Materials for Bio/environmental Applications (SAMBA)” Dr Aleksandar Radu Lecturer in Chemistry & Environmental Sci. Dr Sami Ullah Lecturer in Environmental Sc. (Keele) Lukasz Mendecki PhD Student Tolulope Fayose PhD Student Robert Price Research student (Summer 2013) “Chemical Characterisation of Surfaces” Dr Frank Rutten Lecturer in Physical Chemistry “Zeolite Research” Dr Vladimir Zholobenko Senior Lecturer in Chemistry & Forensic Science - 4- The Birchall Centre, Keele University, UK, 2013 Associate Members of the Birchall Centre The following have kindly agreed to be Associate Members of the Birchall Centre in recognition of their contributions to the Centre and also as recipients of the RSC Materials for Industry, Derek Birchall Award Medal. RJP (Bob) Williams FRS Professor Emeritus, Chemistry, Oxford Sir Brian Fender CMG Chairman of the Institute of Knowledge Transfer Neil M Alford MBE Professor of Engineering, Imperial College, London WJ (Bill) Clegg Professor of Materials Science and Metallurgy, Cambridge Kevin Kendall FRS Professor of Chemical Engineering, Birmingham Medal Winners (Biennial RSC Award) Terry McGrail Director, Irish Centre for Composites Research, Limerick Medal 2009 John Goodby FRS Professor of Materials Chemistry, York Medal 2013 - 5- The Birchall Centre, Keele University, UK, 2013 3- News Update The Birchall Centre Committee, Summer 2013 Dr Vladimir Zholobenko Director Dr Chrystelle Egger Secretary / Web Page Administrator Dr Aleks Radu BC Colloquium Organiser HEFCE Research Capital Funding Antaris II Near Infrared Spectrometer £29,000 Mercury Porosimeter, Autopore IV 9500, Micromeritics £43,200 Upgrade for the XPS £12,000 RSC Materials for Industry - Dereck Birchall Award - Winner 2013: Prof John W Goodby, University of York, UK- For his wide-ranging work on the application of liquid crystals and other forms of soft matter in fields from display materials and construction, stealth coatings and adhesives to materials for medical gel dosimetry and spinal cages. RSC Lecture Award at Keele on December 18th 2013. Research Degree Awards: Winter 2013 Elizabeth Norris, PhD, ‘Steam reforming of methane over alumina supported nickel catalysts: Influence of calcination temperature, gold doping and sulphur addition’ Lead supervisor, Prof. Mark Ormerod David Nixon, PhD, ‘Catalytic behaviour of nickel-based catalysts operating on simulated biogas: Optimisation through oxygen addition, temperature variation and catalyst modification’ Lead supervisor, Prof. Mark Ormerod - 6- The Birchall Centre, Keele University, UK, 2013 4- Research Highlights A- Dr. Matthew Mold, Prof. Chris Exley Medical Research Council (MRC) funded project: Mechanism of toxicity of aluminium-based adjuvant (ABA) nanomaterials Establishing the intracellular aluminium content in a monocytic THP-1 cell line Since their inception in the 1920s, aluminium-based adjuvants (ABAs) remain to be the only approved adjuvants for use in human vaccinations [1]. ABAs potentiate the immune response, however their mechanism of action remains unclear [2]. Whilst a consensus is yet to be reached upon the aetiology of the biological activities of ABAs [2], an intense research effort has purported to the role played by dendritic cells (DCs) and cells of the myeloid lineage (including T helper cells) which are thought to be critical for the adjuvanticity of ABAs [3]. Whether aluminium can or even does enter dendritic or T helper cells remains to be elusive. A key area in this MRC funded project aims to address the fate of aluminium at the injection site, i.e. where does the aluminium go? Our first efforts have centred on the unequivocal identification of the cellular location of aluminium within a monocytic THP-1 cell line. Adaptation of standard paraffin-embedding protocols has allowed for cell-sections of only a few microns thick to be produced. Use of a fluorescent stain which binds strongly to aluminium called lumogallion has allowed for some of the first images of adjuvant particles to be viewed inside THP-1 cells (Figure 1a). Counter-staining with 4’,6-diamidino-2-phenylindole, dihydrochloric acid (DAPI) has also proved effective for the visualisation of cell nuclei, confirming the presence of cellular material (Figure 1b). Figure 1 THP-1 cells incubated in the presence of 50µg/mL of an aluminium oxyhydroxide adjuvant for 24h. a: Lumogallion staining highlighting intracellular adjuvant particles, b: DAPI nuclear counter-staining (viewed under oil at X1000 magnification). References: 1. Ghimire, T. R., Benson, R. A., Garside, P. & Brewer, J. Immunology Letters, 2012, 147 (1-2), 55-62. 2. Exley, C., Siesjö, P. & Eriksson, H. Trends in Immunology, 2010, 31 (3), 103-109. 3. Flach, T. L., Ng, G., Hari, A., Desrosiers, M. D., Zhang, P. et al., Nature Medicine, 2011, 17(4), 479-488. - 7- The Birchall Centre, Keele University, UK, 2013 B- Dr James Beardmore, Prof. Chris Exley Engineering and Physical Sciences Research Council (EPSRC) funded project: A Combined Computational and Benchtop Chemistry Approach to Produce an Effective Model of the Formation, Growth and Precipitation of Hydroxyaluminosilicates Since the late 1980s, the presence of silicic acid (Si(OH)4) has been known to have an ameliorating effect on the toxicity of aluminium1. The reaction of silicic acid with aluminium is believed to reduce the biological availability of aluminium2 via the formation of hydroxyaluminosilicates (HAS)3. Two distinct forms of HAS (HASA and HASB) have been identified, with Si:Al ratios of 0.5 and 1.0 respectively4. Dependant upon conditions such as pH, HAS structures grow, forming larger and more stable aggregates until precipitating out of solution. HAS solutions are being investigated both in the lab and in silico. In the lab, aggregation is investigated by measuring particle size and zeta potential using dynamic light scattering and electrophoresis techniques. Filtration combined with atomic absorption spectrometry provide further insight into the results obtained, whilst collaborators in Finland are performing total surface charge measurements. Computational investigations are being performed using two complementary techniques in collaboration with researchers in the Basque country. At the detailed, structural level, potential structures are identified using Density Functional Theory, with potential growth pathways determined by considering the energetic favourability of structures. At a higher level of abstraction, an earlier model5 is being adapted to examine HAS particle aggregation by modelling Al and Si with a “balls in a box” approach6. The system is modelled using a Markov-chain Monte Carlo method with information-hiding for computational efficiency7 (lattice-gas automaton)6. Figure 1 shows example output from a molecular orbital calculation, and from a Monte Carlo lattice-gas automaton. In the latter, explicit modelling of H+ and OH- ions in the system allowed the pHbuffering effect of aluminium hydroxide to be modelled. Fig. 1: (a) Example structure of an HAS-A precursor calculated with DFT. (b) Example of the progression of a multi-particle Monte Carlo simulation over time. Time (arbitrary units) is on the x-axis, and particle-count and pH are on the y-axes. The solid lines represent the count of different particle species at time x, and the dashed line represents pH at time x. 1 Birchall, Exley et al., (1989) Nature 338, 146-148 Exley C & Birchall JD (1996) European Journal of Soil Science 47, 137 3 Exley C, Schneider C & Doucet FJ (2002) Coordination Chemistry Reviews 228, 127-135 4 Doucet FJ, Schneider C, Bones SJ, Kretchmer A, Moss I, Tekely P & Exley C (2001) Geochimica et Cosmochimica Acta 65, 2461-2467 5 Beardmore J & Exley C (2009) Journal of Inorganic Biochemistry, vol. 103, pp.205-209 6 Beardmore J, Rugg G & Exley C (2007) Journal of Inorganic Biochemistry, vol. 101, issue 9, pp.1187-1191 7 Exley C, Beardmore J, Rugg G (2007) International Journal of Quantum Chemistry, vol. 107, pp.275-278 2 - 8- The Birchall Centre, Keele University, UK, 2013 C- Lukasz Mendecki, Dr Aleksandar Radu Adaptable sensors “Smart” or adaptable sensors are considered as “modern sensor technologies” that exhibit a high rate of growth (10%/year as opposed to 4%/year of “traditional technologies”) in the global market with an estimated worth between $15-$25 billion1,2,3,4. “Smart sensors” are generally thought to be able to adapt themselves automatically to the measuring task and/or to have self-diagnostic and selfcalibration capabilities. Development of sensors with increased level of functionality will be the key in the development of new sensing technologies and their application in wide variety of industries (e.g. environmental, food, pharmaceutical, automotive, sport etc). This project involves close collaboration between Keele University, UK and Clark University, USA. The two groups will team up in order to (a) design and synthesize hybrid materials capable of changing physico-chemical properties when exposed to external stimuli and (b) use these stimuliresponsive materials as the active layer for chemical sensors capable of modulating their selectivity upon changes in the media and the nature of the samples. Figure 1: left) Reversible, light-driven transformation of spiropyran (SP) into merocyanine (MC) (top line), followed by the formation of MC-metal ion complex (bottom line). Middle) spectra of three possible forms of Spiropyran (SP) – passive spiropyran (dotted line), active merocyanine (full line) and complex of MC with ion of interest indicated as MC-I complex (dashed line). Right) Absorbancies measured at 431 nm (full line) and at 560 nm (dashed line) for cyclical transformation between the SP, MC and MC-I (with H+ used as ion of interest). Absorbancies measured for SP, MC and MC-H+ are depicted with semi-filled, open and full circles respectively. 1. 2. 3. 4. INTECHNO Consulting. 2008 McGeehin, P. Sensor Rev. 2002, 22, 303 Decision Etudes Conseil. 2008 Scottish Development International. 2011 - 9- The Birchall Centre, Keele University, UK, 2013 D- Tolulope Fayose, Dr Sami Ullah, Dr Aleksandar Radu Nutrients inventory in animal slurry; Technologies that allow quick, simple and low-cost insitu measurements Livestock farms in England produce about 24 million cubic meters of slurry each year. Under the UK Environment Agency’s regulations manure slurry is stored over the winter period by the farmer and allowed only in the summer month for application to land surfaces as a source of plant nutrients. The storage of slurry in farms over the winter leads to losses of nutrients such as organic and inorganic nitrogen into nitrous oxide and di-nitrogen gases as well as production of methane and carbon dioxide. Thus, there is a need for the identification of slurry handling and storage techniques that could reduce emissions of greenhouse gases and optimize retention of nutrients. Moreover, there is a need for technologies that would allow the farmer determination of nutrient content hence optimize the management and re-use of the slurry. This project will have two main objectives: !" #$%&'(')$*%+',%-'./+$)$01%-/2-%,3))%2))$,%435*)'6%783.9%2+&%!"#$!%&%5'248:'5'+-4%$;%+8-:3'+-4%3+% 2+352)%4)8::1<%% In this project, the student will explore several new materials (e.g. ionic liquids) with the view of development of sensors that have reduced bio-fouling which is an issue that is expected to affect the behaviour of sensors in highly complex matrix such as animal slurry. This will be done through some synthesis of materials and more importantly through development and characterization of sensors in terms of sensitivity, selectivity, life-time and its comparison to the conventional nutrient measurement and relatively expensive Diffusive Equilibrium in Thin (DET) films techniques. =" #$% '(2)82-'% 2+&% .$5*2:'% (2:3$84% 4)8::1% 4-$:20'% -'./+378'4% ;$:% -/'% $*-353>2-3$+% $;% +8-:3'+-% :'-'+-3$+% ?+3-:$0'+% 2+&% */$4*/$:84% 523+)1"% 3+% -/'% 4)8::1% ;$:% )2+&% 2**)3.2-3$+% 2+&% :'&8.-3$+% $;% 0:''+/$84'%024%'53443$+4<% This research will evaluate the influence of biogeochemical and climate variables (temperature, moisture and aeration) on nutrient retention and greenhouse gas losses. Given the applied nature of this research, a further research need exists on developing cheap and reproducible sensors for in situ measurement of nutrient contents (nitrate and ammonium mainly) in the slurries that could be used by any farmer with simple instructions. This is expected to result characterization of nutrient status at farm scale and to allow the farmers to estimate slurry application rates in response to fertilization needs of farms. Figure 2.: Left) Slurry tank. Right) Ion-selective electrode in measurement of nitrate in a sample with ~10%wt of solid matter (analogous to average slurry soup). - 10- The Birchall Centre, Keele University, UK, 2013 5- Projects and Grants Dr Chrystelle Egger 1. Design of novel porous functional organic networks for applications in separation (previously supported by BASF AG). 2. Understanding of the silicification process in undersaturated conditions in collaboration with Prof. Chris Exley (Undergraduate project running). Prof Christopher Exley 1. A mechanism of formation and aggregation of hydroxyaluminosilicates. Funded by EPSRC and Santander. 2. The bioinorganic chemistry of aluminium adjuvants. Funded by MRC, Dwoskin Foundation and Keele ACORN fund. 3. Silica deposition in plants and especially rice. Funded by NERC. 4. Silicon-rich mineral waters as non-invasive therapies for multiple sclerosis and other aluminiumrelated disorders. Funded by Spritzer Mineral Water Co. and Keele ACORN Fund. 5. Infant feeding and the body burden of aluminium. Funded by Children’s Medical Research Institute (CMRI) and Keele ACORN fund. 6. Measurement and identification of aluminium in human tissue. Funded by Children’s Medical Research Institute (CMRI) and Keele ACORN fund. Dr Rob Jackson (i) Computer modelling of optical materials (funded by the Atomic Weapons Establishment) Mixed metal fluorides, e.g. YLiF4, when doped with rare earth ions have applications in optical materials such as scintillators and solid state lasers. This ongoing project investigates the location of dopant ions in the structure and the effect of doping on crystal morphology. (ii) Computer modelling of actinide oxides for energy applications (funded by the Atomic Weapons Establishment) This project is involved with modelling nuclear fuel materials including UO2 and PuO2, and is aimed at predicting the properties of the mixed oxide (MOX) fuel PuxU1-xO2. (iii) Computer modelling of Th-doped CaF2 for nuclear clock applications This project is a research collaboration with the Technical University of Vienna. The 229Th isotope is being investigated for use in a nuclear clock, offering significant accuracy improvements over conventional atomic clocks. The doping of CaF2 with Th has been modelled to predict dopant location and guide ongoing sample preparation. - 11- The Birchall Centre, Keele University, UK, 2013 Prof. Mark Ormerod !< @$&'))3+0%A..')':2-'&%A0'3+0%2+&%B'0:2&2-3$+%3+%C$)3&%DE3&'%F8')%G'))4%?@AABHCDFG"<% This £1.35 million project is funded by the Research Councils UK Energy Programme, EPSRC and India Department of Science and Technology, as part of a specific UK-India initiative to promote low carbon technologies. The UK-Indo collaborative project is led by Keele University, and has Birmingham University (Department of Chemical Engineering) and Loughborough University (Department of Materials and Automotive Engineering) as UK partners and the Indian Institute of Technologies of Madras, Delhi and Hyderabad as Indian partners. The project aims to gain an improved understanding of ageing and degradation mechanisms and processes in solid oxide fuel cells. =< C8:;2.'% ./'534-:1% $;% 5'-/2+'% :';$:53+0% .2-2)14-4% I% J+&':4-2+&3+0% 5$)'.8)2:% 48:;2.'% :'2.-3$+% *2-/,214%2+&%&'2.-3(2-3$+%3448'4<% This research has involved a major collaborative project, ‘Towards a molecular understanding of deactivation issues in methane reforming catalysts’, which has received combined funding from the EPSRC and STFC totalling well over £1 million, and has involved making substantial use of inelastic neutron scattering at the STFC ISIS Neutron facility at the Rutherford Appleton Laboratory. The collaborative project involves the University of Glasgow and the Rutherford Appleton Laboratory. K< L;;3.3'+-%.2-2)1-3.%.$+(':43$+%$;%,24-'%M3$024%$(':%+3.9')%M24'&%.2-2)14-4%<% This project has received significant funding from EPSRC and various industry (including contract research and consultancy). N< C1+-/'4346%./2:2.-':342-3$+%2+&%.2-2)1-3.%-'4-3+0%$;%+3.9')%M24'&%*':$(493-'%52-':32)4%5'-/2+'%2+&% M3$024%:';$:53+0%.2-2)14-4%2+&%24%4$)3&%$E3&'%;8')%.'))%2+$&'%52-':32)4%<% Funded by EPSRC, industry (contract research) and Keele ACORN fund. Other on-going projects within the University: O< P'&8.3+0%L+':01%G$+485*-3$+%-/:$80/%G$558+3-1%Q+$,)'&0'%R'-,$:94%?PLGGQR"<% This £465,000 project is funded by ESRC and EPSRC, and was one of seven funded through the UK Energy Programme’s ‘Energy and Communities’ programme. The project involves an interdisciplinary collaboration between natural scientists and social scientists at Keele working on energy, and the Marches Energy Agency, a nationally leading third sector energy organisation, and aims to better understand factors influencing energy consumption in two communities with very different socio-economic characteristics. S< L+':01%';;3.3'+.16%'+':01%:'&8.-3$+%2+&%3+-'))30'+-%'+':01%52+20'5'+-%414-'54<% Funded by HEFCE Revolving Green Fund (£360,000). T< U+;)8'+.3+0% '+&H84'% '+':01% &'52+&% 2+&% *:$H'+(3:$+5'+-2)% M'/2(3$8:% 3+% 4$.32))1% &342&(2+-20'&% .$558+3-3'4<% Funded by National Energy Action, Cheshire-Lehman Trust (£5,000), Staffordshire County Council (£40,000), Veolia (£30,000) and Valpak (£4,000). V< C84-23+2M)'%&'(')$*5'+-%2+&%-/'%52:9'-342-3$+%$;%L+0)34/%/30/':%'&8.2-3$+<% Funded by the Higher Education Academy. - 12- The Birchall Centre, Keele University, UK, 2013 Dr Aleksandar Radu 1- Tuneable, ionic liquid-based sensors for monitoring iodide in urine (Royal Society; December 2012-December 2013; £8990) 2- Photoswitchable chemical sensors (Analytical Chemistry Research Trust; summer 2013; £1440) 3- Externally-modulated chemical sensors (EPSAM; 2013-2016; £30 000) Dr Frank Rutten Ambient mass spectrometry for rapid reaction monitoring as well as advanced surface chemical characterisation, both with a focus, but not exclusively, on pharmaceutical and health-related applications. Whilst my main techniques revolve around novel applications of mass spectrometry and especially the further development of plasma-assisted desorption ionisation mass spectrometry (PADI-MS), this is complemented by a range of other techniques, including X-ray photoelectron spectroscopy (XPS), vibrational spectroscopies (mid- and near-IR, Raman) and electron microscopy. Dr. Vladimir Zholobenko Catalysis and characterisation of zeolites and nanostructured materials, application of spectroscopic techniques in analytical sciences. 1. Structural studies of the organic-inorganic self-assembly during the synthesis of mesoporous materials. Aim: to investigate the formation kinetics of silica and titania based nanostructured materials. 2. Microwave synthesis of nanoporous materials, utilizing research microwave systems, MARS-6 multimode and Biotage single-mode Microwave Systems (£30,000 industrial funding) 3. Characterisation of asbestos containing material (jointly with Dr. F. Rutten). This extensive work programme, which aims to demonstrate spectroscopic approaches to the identification of asbestos containing materials, has been supported by the EPSRC and industry. There is a potential for further industrial collaboration and commercial exploitation of the data obtained. 4. Characterisation of materials. This is a confidential project - details are not available at present. - 13- The Birchall Centre, Keele University, UK, 2013 6- Conferences, Workshops and Presentations Prof C. Exley: The Tenth Keele Meeting on Aluminium, 23-27 February, Winchester, England. Dr Aleksandar Radu went on ERASMUS sponsored Teaching Exchange to University of Barcelona (15-30 April 2013). There he presented a workshop on “Ionophore-based Sensors”. The workshop lasted 5 sessions and was given to PhD students (~50) as part of formal postgraduate activities for local students. Dr Frank Rutten, together with a collaborator from AstraZeneca, presented a poster on novel results from a collaborative project at the annual British Mass Spectrometry Society meeting, September 2013, Eastbourne. Prof. Mark Ormerod: Conferences 1- Hydrogen and Fuel Cell Conference, Cancun, Mexico, Invited Talk, ‘Developing more tolerant solid oxide fuel cell anodes’. 2- IUPAC 2013, 44th World Chemistry Congress, Istanbul, Turkey, August 2013, ‘Hydrothermal Synthesis of Solid Oxide Fuel Cell Anode Materials’ (with Dr John Staniforth, Sam Evans, Oliver Good). Works Involving Prof. Mark Ormerod presented by collaborators at various conferences and meetings: 1- Fuel Cells and Hydrogen, NEC Birmingham, March 2013, ‘Doping Nickel/YSZ to Increase Sulphur Tolerance when Reforming Biogas’. 2- H2FC SUPERGEN Conference, Birmingham, December 2013, ‘Overcoming carbon deactivation in biogas reforming using a hydrothermally synthesised nickel perovskite catalyst’ . 3- RGS-IBG Annual International Conference, London, August 2013, Invited talk, ‘Community knowledge networks: An action-orientated approach to energy research’. 4- British Sociological Association Conference, “Methodological and conceptual approaches for researching climate change at different societal scales”, Southampton, March 2013, ‘A local-scale approach to energy: Understanding community knowledge networks to reduce energy consumption’ Political Studies Association Annual Conference, Cardiff, April 2013, ‘Community knowledge networks: An action-orientated approach to energy research’. 5- Social Policy Association Conference, ‘Energy and Climate Change in an Unequal World’, Oxford, July 2013, ‘Community Knowledge Networks: a new approach to energy and equity’. 6- Manchester, July 2013, ‘Making energy discussable: The role of community knowledge networks’ 7- International Sustainability Conference, Nova Scotia, Canada, July 2013, ‘Developing graduate attributes through the sustainability agenda’ 8 - Cardiff University, Multi-modality workshop, July 2013, ‘Making energy discussable: The role of community knowledge networks’. - 14- The Birchall Centre, Keele University, UK, 2013 Presentations: 1- University of Sao Paulo, Brazil, February 2013, ‘Fuelling the Future: Sustainable Approaches for our Future Energy Needs’. 2- Universidade Tiradentes, Aracaju, Sergipe, Brazil, February 2013, ‘Fuelling the Future: Sustainable Approaches for our Future Energy Needs’. 3- University Federal Sergipe, Brazil, February 2013, ‘Fuelling the Future: Sustainable Approaches for our Future Energy Needs’. 4- Loughborough University, July 2013, ‘Biogas reforming over nickel-based and nickel-doped catalyst materials’. 5- Indian Institute of Technology Madras, Chennai, India, January 2013, ‘Biogas reforming, carbon deposition and sulphur tolerance over nickel based anode materials’ (Sam Evans). Workshops: 1- 2013 HEPI Conference, London, December 2013. 2- Qatar National Research Funding Programme Conference, October 2013. 3- 2013 UK Research and Innovation Conference, February 2013. 4- ‘Developing graduate attributes through the sustainability agenda’, NTFS Project Workshop, Keele Uni., Jan. 2013 / Glywdwr Uni., Feb. 2013 / Uni. Of Gloucestershire, March 2013. Dr. V. Zholobenko: 1- organised the British Zeolite Association conference BZA-2013 at Keele, April 2013, Keele, UK. 2- participated in the 17th International Zeolite Conference, July 2013, Moscow, Russian Federation. 3- attended Thermo Users Workshop, July 2013, Warwick, UK. - 15- The Birchall Centre, Keele University, UK, 2013 7- Seminars, Visits and Collaborations Dr Chrystelle Egger invited Prof Peter Cormack (University of Strathclyde, Glasgow, UK), April 2013. Prof Chris Exley attended a research meeting in San Sebastian, Spain in June 2013. Prof Chris Exley was an external examiner at The University of Aveiro, Portugal in July 2013. Prof Chris Exley, Dr Matthew Mold, Emma Shardlow attended an MRC project Meeting in Malmo and Lund, Sweden in September 2013. Prof Chris Exley gave an invited lecture at Innsbruck University, Austria in October 2013. Collaborations 1. Computational chemistry of aluminium (Professors Jesus Ugalde and Xabier Lopez, University of San Sebastian, Spain). 2. The chemistry of hydroxyaluminosilicates (Dr Tiina Leiviska, University of Oulu, Finland). 3. Immunobiology of aluminium adjuvants (Professors Håkan Eriksson, University of Malmo, Sweden, and Peter Siesjö, University of Lund, Sweden). 4. Macrophagic myofasciitis, MMF (Professors Romain Gherardi and Francois-Jérome Authier, University of Paris Est, Créteil, France). 5. IBD and Crohn’s disease (Professors Cécile Vignal and Mathilde Body-Malapel, University of Lille 2, Lille, France). 6. Breast cancer (Professor Nicole Concin and Ms Caroline Linhart, Innsbruck Medical University, Austria). 7. Diabetes (Professor Paul Fraser, University of Toronto, Canada). 8. Bees and aluminium (Professor David Goulson, University of Sussex, UK). Dr Rob Jackson was External Examiner for a PhD examination held at the University of Amsterdam, The Netherlands. Dr Rob Jackson is currently External Examiner for the Undergraduate Forensic Science programmes at the University of Kent, and Nottingham Trent University. 1- Prof Mark Ormerod was External Examiner for PhD examinations at St. Andrews and Cardiff Universities. 2- Prof Mark Ormerod is currently External Examiner for the undergraduate Chemistry programmes at Birmingham University and the postgraduate Chemistry programmes at Manchester University. - 16- The Birchall Centre, Keele University, UK, 2013 3- Prof Mark Ormerod was on the Funding Allocation Panel for the UK-India Education and Research Initiative (UKIERI). 4- Prof Mark Ormerod was on the Funding Panel for the UK-US-India Research Scheme. 5- Prof Mark Ormerod is a member of the Scientific Advisory Board for the UK Hydrogen and Fuel Cells Supergen Consortium. 6- Prof Mark Ormerod visited University of Sao Paulo, University Tiradentes, Aracaju, Sergipe and University Federal Sergipe in Brazil in February 2013, giving presentations at each. 7. Prof Mark Ormerod and Sam Evans visited the Indian Institute of Technology Madras, India in January 2013, as part of their UK-India RCUK/DST Low Carbon Technology Project Grant. 8. Prof Mark Ormerod visited the School of Chemistry, Cardiff University in January 2013 for catalysis and surface chemistry research discussions 9. Prof Mark Ormerod visited the Chemistry Department, Glasgow University to discuss ongoing research collaboration in surface chemistry and catalysis on supported metal catalysts in May 2013 10. Prof Mark Ormerod, Dr. John Staniforth, Sam Evans and Oliver Good attended a UK-India RCUK/DST Low Carbon Technology Project Grant meeting at Loughborough University in July 2013 11. Prof Mark Ormerod, Dr John Staniforth and Sam Evans made a number of visits to Loughborough University and Birmingham University during 2013 as part of their UK-India RCUK/DST Low Carbon Technology Project Grant 12. Professors Ranjit Bauri and Sreeniva Jayanti (Indian Institute of Technology, Madras, India) and Professor Vinod Janardhanan (IIT Hyderabad, India) visited Prof Ormerod and his research group in July 2013 as part of his UK-India RCUK/DST Low Carbon Technology Project Grant 13. Dr. Jung-Sik Kim (Loughborough University) and Dr. Aman Dhir (University of Birmingham) visited Prof Ormerod and his research group in April 2013 as part of his UK-India RCUK/DST Low Carbon Technology Project Grant 14. Developing graduate attributes through the sustainability agenda, NTFS Project Workshop, Keele, January 2013 Dr Frank Rutten: Collaborations 1- Development of PADI-MS (Prof. Martin McCoustra, Heriot-Watt University; Prof. David Barrett, University of Nottingham; Prof. James Bradley, University of Liverpool; Dr Andrew Bowfield, Nottingham/Liverpool/National Physical Laboratory). - 17- The Birchall Centre, Keele University, UK, 2013 2- Dr Frank Rutten: Characterisation of ancient glasses and glazes (Prof. Julian Henderson, University of Nottingham; Dr Sarah Fearn, Imperial College and Dr Rana Sodhi, University of Toronto). Dr. Vladimir Zholobenko visited Moscow State University, June 2013, Moscow, RF. Dr. Vladimir Zholobenko visited Petrochemical Research Institute, July 2013, Moscow, RF. Dr. Vladimir Zholobenko visited Thermo Scientific research laboratories, April 2013, Hemel Hempstead, UK. Dr. Vladimir Zholobenko visited Perkin-Elmer research laboratories, October 2013, Seer Green, UK. - 18- The Birchall Centre, Keele University, UK, 2013 8- Funding and Acknowledgements Analytical Chemistry Research Trust AWE Chesshire-Lehman Trust CMRI Donations from private individuals EPSAM / ISTM EPSRC ESRC Keele ACORN fund HEFCE India Department of Science and Technology Industry National Energy Action Research Councils UK Energy Programme Royal Society Santander Staffordshire County Council STFC Veolia - 19- The Birchall Centre, Keele University, UK, 2013 9- Publications 1. Davenward S, Bentham P, Wright J, Crome P, Job, D, Polwart A and Exley C (2013) Siliconrich mineral water as a non-invasive test of the ‘aluminium hypothesis’ in Alzheimer’s disease. Journal of Alzheimer’s Disease 33, 423-430. 2. Mold M, Ouru-Gnao L, Wieckowski BM and Exley C (2013) Copper prevents amyloid-!1-42 from forming amyloid fibrils under near-physiological conditions in vitro. Scientific Reports 3 : 1256 | DOI: 10.1038/srep01256. 3. Khan Z, Combadière C, Authier FJ, Itier V, Lux F, Exley C, Mahrouf-Yorgov M, Decrouy X, Moretto P, Tillement O, Gherardi RK, and Cadusseau J (2013) Slow CCL2-dependent translocation of biopersistent particles from muscle to brain. BMC Medicine 11:99. 4. Buffoli B, Foglio E, Borsani E, Exley C, Rezzani R, Rodella LF (2013) Silicic acid in drinking water prevents age-related alterations in the endothelium-dependent vascular relaxation modulating eNOS and AQP1 expression in experimental mice: an immunohistochemical study. Acta Histochemica 115, 418-424. 4. Exley C (2013) Human exposure to aluminium. Environmental Science:Processes and Impacts 15, 1807-1816. 5. House E, Polwart A, Darbre P, Barr L, Metaxas G and Exley C (2013) The aluminium content of breast tissue taken from women with breast cancer. Journal of Trace Elements in Medicine and Biology 27, 257-266. 6. Ohlsson L, Exley C, Darabi A, Sandén E, Siesjö P and Eriksson H (2013) Aluminium based adjuvants and their effects on mitochondria and lysosomes of phagocytosing cells. Journal of Inorganic Biochemistry 128, 229-236. 7. Darbre PD, Mannello F and Exley C (2013) Aluminium and breast cancer: Sources of exposure, tissue measurements and mechanisms of toxicological actions on breast biology. Journal of Inorganic Biochemistry 128, 257-261. 8. Chuchu N, Patel B, Sebastian B and Exley C (2013) The aluminium content of infant formulas remains too high. BMC Pediatrics 13, 162. 9. M P Hehlen, R R Greco, W G Rellergert, S T Sullivan, D DeMille, R A Jackson, E R Hudson, J R Torgerson, ‘Optical spectroscopy of an atomic nucleus: Progress toward direct observation of the 229 Th isomer transition’, Journal of Luminescence 133, 91-95 (2013) 10. T E Littleford, R A Jackson, M S D Read, ‘Modelling rare-earth doped BaMgF4: a potential laser material’, Phys. Stat. Sol. C 10 (2) 153-155 (2013). 11. T E Littleford, R A Jackson, M S D Read, ‘An atomistic simulation study of the effects of dopants on the morphology of YLiF4’, Phys. Stat. Sol. C 10 (2) 156-159 (2013). 12. J B Amaral, J R de Moraes, S L Baldochi, R A Jackson, M E G Valerio, ‘Computer modelling of undoped and Eu3+-doped LiLa(WO4)2’, Phys. Stat. Sol. C 10 (2) 165-167 (2013). 13. S R Walker, R A Jackson, M S D Read, ‘Atomistic modelling of actinide oxides for nuclear fuel applications’, Phys. Stat. Sol. C 10 (2) 197-201 (2013). - 20- The Birchall Centre, Keele University, UK, 2013 14. P Dessovic, P Mohn, R A Jackson, G Winkler, M Schreitl, G Kazakov, T Schumm, ‘Thoriumdoped calcium fluoride for nuclear laser spectroscopy’, Journal of Physics: Condensed Matter (2014) (in press). 15. M S D Read, S R Walker, R A Jackson, ‘Derivation of enhanced potentials for plutonium dioxide and the calculation of lattice and intrinsic defect properties’ Journal of Nuclear Materials (2014) (in press). 16. A.R. McFarlane, I.P. Silverwood, R. Warringham, E.L. Norris, R.M. Ormerod, C.D. Frost, S.F. Parker, D. Lennon, ‘The application of inelastic neutron scattering to investigate the ‘dry’ reforming of methane over an alumina-supported nickel catalyst operating under conditions where filamentous carbon formation is prevalent’, RSC Advances, 3 (2013) 16577-16589. 17. A.R. McFarlane, I.P. Silverwood, E.L. Norris, R.M. Ormerod, C.D. Frost, S.F. Parker, D. Lennon, ‘The application of inelastic neutron scattering to investigate the steam reforming of methane over an alumina-supported nickel catalyst’, Chemical Physics, 427 (2013) 54-60. Other publications from on-going projects within the University: 18. P.C. Catney, A.N.H. Dobson, S.M. Hall, S. Hards, S. MacGregor, Z.P. Robinson, R.M. Ormerod, S. Ross, ‘Community knowledge networks: an action-orientated approach to energy research’, Local Environment: The International Journal of Justice and Sustainability, 18 (2013) 506-520 19. P.C. Catney, A.N.H. Dobson, S.M. Hall, S. Hards, S. MacGregor, Z.P. Robinson, R.M. Ormerod, S. Ross, ‘Big society, little justics? Community renewable energy and the politics of localism’, Local Environment: The International Journal of Justice and Sustainability, (2013) doi: 10.1080/13549839.2013.792044 20. N. Simcock, S. MacGregor, P.C. Catney, A.N.H. Dobson, R.M. Ormerod, Z.P. Robinson, S. Ross, S. Royston, S.M. Hall, ‘Factors influencing perceptions of domestic energy information: Content, source and process’, Energy Policy, 65 (2013), 455-465 21. S.M. Hall, S. Hards, P.C. Catney, A.N.H. Dobson, S. MacGregor, Z.P. Robinson, R.M. Ormerod, S. Ross, ‘A local-scale approach to energy: Understanding community knowledge networks to reduce energy consumption’, in British Sociological Association, “Methodological and conceptual approaches for researching climate change at different societal scales” (2013) 22. S. Bessant, P.D. Bailey, Z.P. Robinson, C.B. Tomkinson, R. Tomkinson, R.M. Ormerod, R. Boast, ‘Problem-Based Learning: A Case Study of Sustainability Education’, Higher Education Academy, (2013) 23. Radu A., Radu, T., McGraw, C., Dillingham, P., Anastasova-Ivanova, S., Diamond, D.; IonSelective Electrodes in Environmental Analysis; J. Serb. Chem. Soc. 78 (11), 2013, 1729-1762 Invited contribution for the occasion of celebration of 110th anniversary of teaching of Physical Chemistry at the University of Belgrade, Serbia 24. Hoole D., Khalil M., Furness D., Zholobenko V. (2013) Effect of tapeworm parasitisation on cadmium toxicity in the bioindicator copepod, Cyclops strenuous, Ecological Indicators, v.37, p.2126. - 21- The Birchall Centre, Keele University, UK, 2013 Patents 25. S.E. Evans, O.J. Good, J.Z. Staniforth, R.M. Ormerod, R.J. Darton, ‘New catalysts’ (new nickel-doped strontium perovskite biogas reforming catalysts), UK Patent 1310953.3 (filed June 2013) 26. S.E. Evans, O.J. Good, J.Z. Staniforth, R.M. Ormerod, R.J. Darton, ‘New catalysts’ (new nickel-doped barium perovskite catalysts), UK Patent 1321230.3 (filed December 2013) Media and Press-releases 27. March 12th, Simultaneous broadcast in France and Germany by ZDF/ARTE of Bert Ehgartner’s film/documentary, ‘The Age of Aluminium’ including a 30 minute Q&A session at the end with C. Exley filmed in Keele Hall. 28. UK Science Parks Association (UKSPA) magazine for January 2014, highlights PADI-MS development in Keele by F. Rutten (www.scienceparks.co.uk / page 41 in search box; page 42 when printed). 29. Prof. Mark Ormeord: ‘Energy saving: it’s a social thing’, October 2013 – significant press and media coverage resulted from this press release. http://www.keele.ac.uk/pressreleases/2013/energy-savingitsasocialthing.html 30. Prof. Mark Ormerod: ‘Big society, big bucks’, Utility Week, June 2013. - 22- The Birchall Centre, Keele University, UK, 2013 10- Key Research Equipment within the Birchall Centre Protege 460 FTIR spectrometer equipped with transmittance vacuum in situ cell, diffuse reflectance in situ accessory, attenuated total reflection attachments and a high sensitivity MCT detector, (spectral range ~ 600 to 7000 cm-1, resolution from 1 to 32 cm-1). This instrument is specifically set up for the characterisation of solid materials, including “soft” solids, under in situ conditions, e.g. under vacuum or high pressure and elevated temperatures up to ~700oC. MARS-6 multimode and Biotage single-mode microwave systems equipped with a range of teflon and glass vessels for accelerated synthesis or digestion of a range of organic and inorganic materials. The process conditions are monitored by temperature probes and pressure sensors. Antaris II near infrared spectrometer is a versatile instrument for the identification and characterisation of inorganic materials, polymers, pharmaceuticals, etc., and for process monitoring. The instrument is equipped with a diffuse reflectance attachment, transmission cells and an external fibre optic probe for remote analyses. (Spectral range 4000 - 10000 cm-1. Resolution 2 32 cm-1). - 23- The Birchall Centre, Keele University, UK, 2013 Autosorb C1, Quantachrome is a highly sophisticated gas sorption analyzer for surface area analysis and pore size measurements (Pore size range: 0.5 to 20 nm). AutoPore IV 9500 Series, Micromeritics, characterises a material’s porosity by applying various levels of pressure to a sample immersed in mercury. The pressure required to intrude mercury into the sample’s pores can go up to 30 000 psi (Pore size range: 0.003 to 360 micrometers). Perkin Elmer AAnalyst 600 Graphite Furnace Atomic Absorption Spectrometer with AS 800 autosampler is able to measure the concentration of several elements in samples. The spectrometer and furnace are controlled automatically by computer software, which is able to automatically select and align any of the eight installed lamps. The furnace features a transversely heated graphite atomiser with protective inert gas stream. A modulated magnetic field oriented longitudinally to the optical path is used for Zeeman-effect background correction. The device also features fume extraction and circulatory cooling systems. It is used extensively for the detection of Al and Si, where it is capable of detecting concentrations as low as 1µg/L. - 24- The Birchall Centre, Keele University, UK, 2013 Malvern ZetaSizer Nano ZS is a computercontrolled particle-sizer that uses dynamic light scattering and electrophoresis to estimate the sizes and zeta potentials of particles undergoing Brownian motion in solution. It is able to measure samples from 12.0µL to 1.5mL and its detection range is from 0.3nm - 10.0µm particle diameter for size measurements, and from 3.8nm - 100µm for zeta potential measurements. The minimum particle-concentration required varies based on the optical properties of the sample. It has been used to observe the growth of aluminium hydroxide and hydroxyaluminosilicates, the aggregation of peptides, the properties of adjuvant preparations, and to check for consistency of size of commercially-available nanoparticles when introduced into biological media. Olympus BX50 upright microscope allows for both light and fluorescence images to be taken in both modes at magnifications up to X1000, via use of an oil immersion objective. The microscope is equipped with a BX-FLA reflected light fluorescence attachment equipped with a mercury burner and a vertical illuminator. This allows for fluorescence imaging at specified spectral ranges spanning from the UV to longer visible light wavelengths. Specialist filter cubes allow for fluorescent imaging of both biological and plant tissues amongst other samples that have been either labelled or stained with certain fluorophores. The microscope is also fitted with a ColorView III digital camera from Olympus Soft Imaging Solutions allowing for image acquisition and analysis on the Cell D software suite. Lawson labs, EMF 16, Electrochemistry EMF interphase. It is a high-resolution, high input impedance, data acquisition system for electrochemistry applications. It connects to a PC serial port for presentation and storage of EMF data. It allows up to 16 channels of data to be scanned and displayed. Linearity is 0.002% of full scale, input impedance is 1013 ohms, reproducibility is better than one part per million. BNC connectors are provided for the 16 buffered inputs and for the buffered reference electrode. - 25- The Birchall Centre, Keele University, UK, 2013 Ivium CompactStat.e: Portable Electrochemical Interface & Impedance Analyser. The CompactStat.e offers a complete package, all the standard Electrochemical techniques are included. The CompactStat also has an integrated highperformance Frequency Response Analyser for EIS measurements from 10!Hz to 3MHz. The CompactStat.e is equipped with the Multiplexer that has 8 channels. ! Kratos Amicus X-ray photo electron spectrometer (XPS) equipped with full catalyst sample preparation cell and Mg anode (1253.6 eV). Instrument capable of quantifying elements in the top 10 nm of a solid sample as well as electronic interactions (such as oxidation states of metals, CO or C=O moieties). This instrument can be used to analyse solid samples from powders to films up to a thickness of ca. 1 cm and with similar lateral dimensions. Samples can be conducting or insulators and need to be vacuum-compatible. This instrument is non-monochromated, but still capable of an energy resolution of ca. 0.15 eV. - 26- CONTACT INFORMATION Birchall Centre Lennard Jones Laboratories Keele University Keele ST5 5BG Staffordshire UK Centre Director Dr Vladimir Zholobenko Tel: +44 (0)1782 734352 email: v.l.zholobenko@keele.ac.uk Secretary Dr Chrystelle Egger Tel: +44 (0)1782 733337 email: c.c.egger@keele.ac.uk