Hard-soft matter interfaces: from understanding to engineering

Lead Research Organisation: University of Sheffield
Department Name: Materials Science and Engineering

Abstract

The term material is extremely broad, so for simplicity's sake, materials are often described as either hard or soft . While hard materials such as ceramics are strong, they are often brittle. In contrast, soft materials such as polymers are often mechanically weak, but can show valuable elastic properties. Combining these two in one new composite can therefore give rise to remarkable new materials, which benefit from the advantages of both components. This is just one benefit of combining hard and soft materials. In fact, interaction between hard and soft materials occurs in all walks of life. Whether a medical implant is accepted in the body depends on how cells recognise and interact with the hard implant surface. Controlling this requires that we understand molecular-scale processes, which govern how soft biomolecules interact with surfaces - and also processes occurring on much larger length-scales, most importantly how cells interact and recognise a hard surface. In this case, the soft matter must adapt to the hard surface, potentially changing its shape and chemical properties. This is important for many applications - from the toxicology of nanoparticles to strategies for environmental remediation. Perhaps surprisingly, it is not only hard materials which control the soft - the converse also occurs. Biomineralisation - the formation of mineral structures such as bones, teeth and seashells by organisms - shows this beautifully. It is through interaction of growing minerals with soft, organic matter that Nature produces these materials with their remarkable shapes and properties. Biominerals are often very different from synthetic minerals. While a crystal of calcite (calcium carbonate) precipitated in the lab has a regular, geometric form, in the spines of a sea urchin a calcite single crystal is sponge-like, with curved surfaces replacing flat crystal planes. Biominerals are also almost always composites - soft organic molecules are embedded within the crystal. It is this structure which gives biominerals such wonderful mechanical properties - indeed, tooth enamel is one of the hardest materials known. Soft matter not only affects the properties of biominerals, but controls almost every stage of their formation - from the earliest stages of nucleation, through growth, to production of the final biomineral. Insoluble organic molecules define the special environments in which biominerals form and nucleate, while small, soluble organic molecules bind to a crystal during growth, influencing its shape. Clearly, understanding how soft and hard materials interact and control each other is of great importance, and has applications spanning disciplines from medicine to geology, from climate science to nanotechnology. The strategies used by biology to produce biominerals can be applied to the design and fabrication of new materials - where the structure can be controlled at the atomic scale, and the synthesis carried out under mild conditions. If we can design molecules to attach to surfaces strongly, we can use them to inhibit crystal growth. Crystals growing where they should not - in boilers, heating systems and oil wells - remains a major problem in industry and domestic life. Finally, many biomaterials are carbonates. They are a part of the planet's carbon cycle - a major way in which carbon dioxide is removed from the atmosphere for long periods. In the oceans, structures such as coral reefs are under threat due to changes in oceanic conditions; we need to understand the mechanisms of their growth to understand fully why. Removing carbon dioxide from the atmosphere and converting it into carbonates is a possible carbon capture strategy. The research carried out in this grant will use both experiment and theory in a unique way to shed light on the fundamental mechanisms behind this most fascinating and essential capability of the biosphere and to harness this knowledge to develop of novel materials.

Planned Impact

The thrust of this project is to develop understanding that will enable new technologies in many environmental and industrial areas of key importance. Progress will be monitored by the Steering Committee (which involves our private sector partners) to produce an optimised transfer of knowledge to partners and user communities. The project has the potential to deliver maximal impact, particularly in the medium to longer term. The chemical interaction of cell macromolecules with solid surfaces is the basic mechanism underlying an enormous range of microbial processes in industry and nature. Natural attenuation and biodegradation of pollutants relies on the bacterial colonisation of surfaces in habitats such as soils, sediments or aquifers. This work relates strongly to Environment Agency programmes in the area of environmental quality and safety (contacts through the Sheffield Cell-Mineral Centre). These areas of environmental remediation also link to the broad area of environmental biotechnology for the treatment of waste and industrial effluent and biofouling of fluid transfer in water and oil pipelines. The interaction of radionuclides with cell and mineral surfaces is of major importance in the environmental behaviour of radionuclides arising from industrial contamination and waste disposal (working with the Nuclear First DTC). Biphosphonates are known to be effective in the treatment of osteoporosis. Our work will enable the design of better inhibitors for bone resorption (project partner: Pfizer Institute). Results on the nanoscale structure of bone will lead to new replacement biocomposites. Work on the control of crystal growth and inhibition (leading to the design of better inhibitor molecules) will provide the means to prevent scaling or deposition in heating plant pipes, in beer production and in the use of consumer products (Proctor and Gamble). New models of nucleation and growth as the aggregation of nanoparticles will inform biomimetic strategies for the manufacture of nanoscale biocomposites. New strategies for recovering the 60% of oil remaining in chalk reservoirs after standard extraction methods rely on understanding the growth and structure of the fossil coccoliths in chalk and their interaction with the oil (Copenhagen and industrial partner Maersk). Carbon capture strategies involving the removal of carbon dioxide as carbonates in the pores of sedimentary rocks require knowledge of the nucleation and growth of carbonates under confinement. Consortium work on nucleation, growth in confinement and crystal growth control will feed into new energy strategies (project partner Molecular Foundry and the Center for Nanoscale Control of Geologic CO2). High level electron microscopy of the hard-soft interfaces characteristic of biomineralising systems will be applied and developed to access these systems down to the atomic level. This will lead to new techniques relevant for the next generation of electron imaging (project partner JEOL). The integrated use of molecular and mesoscale methods will open up new methodological developments in simulation (Accelrys). The project will train at least 10 PhD students (not counting studentships gained by leveraged funding) and about 13 postdocs in a multidisciplinary project with major international collaborations. Joint theoretical/experimental collaboration will be strongly encouraged and specific training will be given as required. This will produce people with an exceptionally broad base of skills, including transferable skills. Students and postdocs will have many opportunities to gain international recognition. They will be encouraged to enter the annual House of Commons SET for Britain to meet UK policymakers and see their work in a public context. The results and implications of the work will be communicated to the general public through school, public discussions (Caf Scientifique) and the media - all routes for advocacy of the physical sciences.

Publications

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Andersson M (2012) How acidic is water on calcite? in The Journal of Physical Chemistry C

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Andersson M (2016) Is bicarbonate stable in and on the calcite surface? in Geochimica et Cosmochimica Acta

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Andersson M (2016) A Microkinetic Model of Calcite Step Growth in Angewandte Chemie

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Andersson MP (2014) Predicting the pKa and stability of organic acids and bases at an oil-water interface. in Langmuir : the ACS journal of surfaces and colloids

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Andersson MP (2013) Predicting pKa for proteins using COSMO-RS. in PeerJ

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Andersson MP (2016) A Microkinetic Model of Calcite Step Growth. in Angewandte Chemie (International ed. in English)

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Bano AM (2014) New insight into the stability of CaCO3 surfaces and nanoparticles via molecular simulation. in Langmuir : the ACS journal of surfaces and colloids

 
Description The purpose of our work is to understand the design rules and strategies underlying the formation of biominerals with particular shapes and properties. This will both advance our understanding of the process by which animals make minerals and also suggest approaches low-temperature chemical synthesis and processing. We are achieving this by focusing attention on the interfaces between the hard minerals that are formed and the soft bio-components that control their formation.

New, non-classical pathways to nucleation involving prenucleation clustering have been investigated and the importance of organic molecules in the mechanisms demonstrated. Biominerals often form first as an amorphous precursor. This is then converted into the final mineral either directly or indirectly. Our work has provided new insight into this initial phase. Water is found both in networks of tiny channels and as molecules included in the material. Kinetic Monte Carlo studies have demonstrated the importance of impurities in growth. A study of the crystallisation of amorphous calcium carbonate in confined spaces (which is often the case in biological systems) has shown how the structure of the resulting nanorods is controlled by its surroundings. A critical analysis of data used to claim the existance of mesocrystal structure has demonstrated serious inadequacies in some previous assignments.

Self-assembled monolayers provide excellent model systems for how organic arrays can control the way minerals grow. Our combination of experiment and simulation has revealed the vital role of organic layer flexibility in directing mineral growth. We have also shown how the absorption of biomolecules and smaller molecules on surfaces of quartz, gold and calcite can favour some surfaces over others. Understanding this selectivity is essential for the design of systems that enhance or inhibit crystal growth. We have developed design rules for molecules (polysaccharides and peptides) for the case of enhancing the growth of calcite. Detailed investigations of the binding mechanism between mineral surfaces and a wide range of small molecules have been performed. The effect of mineralisation on collagen fibres has been investigated using Raman spectroscopy to show that the proline group plays a key role in the strain response of collagen but that this is strongly modulated by mineralisation. Our work on the survival of mineral-bound collagen has been linked to the hitherto unresolved problem of the origins of the cryptic South American ungulates.

Robust methods have been developed to quantify the inclusion of small organic molecules into calcite and these methods have been extended to other systems. It is surprisingly easy to incorporate large amounts of these molecules into calcite crystals and their inclusion has a strong effect on crystal properties such as the hardness. Modelling studies have shown how these molecules can incorporate into the crystal and the nature of the stress/strain relations induced including the bulk lattice distortions of the crystal. Further work has shown how the optical properties of crystals can be controlled by the incorporation of dye molecules. Organic molecules are often found in natural biominerals; for example our work on amino acids in corals and proteins in eggshells. The latter have exceptional survival times.
Exploitation Route Understanding the complex, multiscale behaviour of hard-soft interfaces provides an interdisciplinary challenge and subsequently offers major opportunities to harness this knowledge to develop novel materials and processes, such as complex hierarchical structures with unique properties. Work on occlusion shows how addition of organic molecules can be used to control mechanical and optical properties. There is direct industry application possible from the results of our research in a range of fields such as environmental biotechnology and remediation, biomedical materials (bone biocomposites), biomimetic nanoscale synthesis, enhanced hydrocarbon production, innovation in next generation instrumentation, and computer software. Our work in demonstrating the exceptional survival of fossil biomolecules in calcite offers new possibilities for dating. Our new models of collagen are essential for simulating collagen/mineral composites, the building blocks of bone formation, and bring enhanced understanding of the use of collagen degradation for dating archaeological sites.
Sectors Energy,Environment,Healthcare,Pharmaceuticals and Medical Biotechnology

URL http://www2.warwick.ac.uk/fac/sci/csc/collab/mib
 
Description Findings from the grant have been taken up by the biomineralisation community to build new models of nucleation and growth of biominerals and in particular gain a better understanding of how molecules and arrays can control mineral growth. Optical and mechanical properties of minerals can be controlled by the inclusion of small molecules. Our work on collagen and proteins in minerals has important implications for archaeological dating.
First Year Of Impact 2013
Sector Energy,Environment,Other
Impact Types Cultural,Economic

 
Description Anne Nielsen: Nacre mimetic materials templated from peptoid nanosheets (1 year project, July 2015 - July 2016)
Amount $100,000 (USD)
Organisation Lawrence Livermore National Laboratory 
Sector Public
Country United States
Start 07/2015 
End 07/2016
 
Description Banwart: EPSRC Feasibility Account project (£200k)
Amount £201,746 (GBP)
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Academic/University
Country United Kingdom
Start  
 
Description Collins: ERC Advanced Grant (€500k share of €2.5M total)
Amount € 500,000 (EUR)
Organisation European Research Council (ERC) 
Sector Public
Country European Union (EU)
Start  
 
Description Dominique Tobler: Probing nanoscale interactions leading to microbal attachment to mineral surfaces (4 month project, Feb - June 2016)
Amount $40,000 (USD)
Organisation Lawrence Berkeley National Laboratory 
Sector Public
Country United States
Start 02/2016 
End 06/2016
 
Description EPSRC Platfrom Grant - PI Fiona Meldrum
Amount £1,408,821 (GBP)
Funding ID EP/N002423/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Academic/University
Country United Kingdom
Start 12/2015 
End 11/2020
 
Description H2020 MCA-ITN grant "Metal Oxide Aided Subsurface Remediation: From Invention to Injection (METAL-AID). Successful H2020 Marie Curie Action International Training Network (2016-2020, coordinated by Stipp and Tobler).
Amount € 140,000 (EUR)
Funding ID 675219 
Organisation Marie Sklodowska-Curie Actions 
Sector Academic/University
Country Global
Start 07/2016 
End 06/2020
 
Description Meldrum and Kröger : ERC Consortium Grant (€800k share of €5.5M)
Amount € 800,000 (EUR)
Organisation European Research Council (ERC) 
Sector Public
Country European Union (EU)
Start  
 
Description Meldrum: EPSRC (£400k)
Amount £400,000 (GBP)
Funding ID EP/K006304/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Academic/University
Country United Kingdom
Start  
 
Description Meldrum: NSF/EPSRC Materials World Network (£950k) (Jointly)
Amount £950,000 (GBP)
Funding ID EP/J018589/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Academic/University
Country United Kingdom
Start  
 
Description P41 Biotechnology Resource Grants (RESBIO - the Technology Resource for Polymeric Biomaterials - James Elliott)
Amount £353,000 (GBP)
Organisation National Institutes of Health (NIH) 
Sector Public
Country United States
Start  
 
Description Pfizer Institute for Pharmaceutical Materials Science fully funded PhD student (£150k) - James Elliott
Amount £150,000 (GBP)
Organisation University of Cambridge 
Department Pfizer Institute for Pharmaceutical Materials Science
Sector Academic/University
Country United Kingdom
Start  
 
Description Programme Grant
Amount £5,436,236 (GBP)
Funding ID EP/R018820/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Academic/University
Country United Kingdom
Start 03/2018 
End 02/2023
 
Description Strategic Equipment Fund award by the University of York for the purchase of a Raman microscope to study biominerals and biocomposites, July 2011 (£ 55k).
Amount £55,000 (GBP)
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Academic/University
Country United Kingdom
Start  
 
Description Walsh: AFOSR (Air Force) grant ($2.9M) -shared
Amount $290,000 (USD)
Organisation Airforce Office of Scientific Research 
Sector Public
Country United States
Start  
 
Description Walsh: VESKI Fellowship (A$150k)
Amount $150,000 (AUD)
Organisation State Government of Victoria 
Sector Public
Country Australia
Start  
 
Description Wright: Europa Transnational HPC award to PhD student to visit Corni in Modena
Amount € 1,500 (EUR)
Organisation European Research Council (ERC) 
Sector Public
Country European Union (EU)
Start  
 
Description "Organic Coatings on SiO2 - Influence on Adhesive Properties", Poster at GRC on Biomineralization, 2012. KMS Juhl, T Hassenkam, N Bovet, SLS Stipp, 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Talk on "The activity of ancient chalk associated polysaccharide: A strong growth inhibitor and morphology moderator for calcite" 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact "The activity of ancient chalk associated polysaccharide: A strong growth inhibitor and morphology moderator for calcite",
Gordon Research Conference on Biomineralization, New Haven, USA
KK Sand, CS Pedersen, S Sjöberg, JW Nielsen, EE Makovick, SLS Stipp

-
Year(s) Of Engagement Activity 2012
 
Description V. M. Goldschmidt Conference: The role of pH and simple organic molecules in structure of amorphous calcium carbonate (ACC) Tobler D.J., Sand K.K., Dideriksen K., Rodriguez-Blanco J.D., Sørensen H. O. and Stipp S.L.S 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description "CaCO3 polymorph growth and stabilization in water-ethanol mixtures", Goldschmidt Conference Abstracts, Mineralogical Magazine Vol. 75 (3), 1790, (2012). KK Sand, JD Rodriguez-Blanco, E Makovicky, LG Benning, SLS Stipp, 
Form Of Engagement Activity A magazine, newsletter or online publication
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Andersson M.P. Talk on Microkinetic Model of Calcite Growth 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Andersson M.P., Dobberschütz S., Sand K. K., Tobler D.J., Stipp S.L.S. (talk 2015)
Microkinetic Model of Calcite Growth,
Goldschmidt Conference, Prague, Czech Republic, 16 - 21 August 2015.
Year(s) Of Engagement Activity 2015
 
Description Andersson M.P., Talk on First-principles prediction of interfacial energies 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact First-principles prediction of interfacial energies - implications for biomineralisation and oil recovery,
Danish Chemical Society Meeting, Odense, Denmark, 11 June 2015.
Year(s) Of Engagement Activity 2015
 
Description Ataman E. Talk on Adsorption of Organic Molecules on Calcite {10.4}: The Big Picture 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Ataman E., Andersson M., Ceccato M., Bovet N. & Stipp S.L.S. (talk 2015)
Adsorption of Organic Molecules on Calcite {10.4}: The Big Picture,
Goldschmidt Conference, Prague, Czech Republic, 16 - 21 August 2015.
Year(s) Of Engagement Activity 2015
 
Description Ataman, E. Tal on Functional Group Adsorption on Calcite {10.4}: A combined DFT and XPS Study 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Ataman, E., Andersson, M. P., Ceccato, M., Bovet, N., Stipp S. L. S. (talk 2015).
Functional Group Adsorption on Calcite {10.4}: A combined DFT and XPS Study,
31st European Conference on Surface Science, Barcelona, Spain; 31 August - 4 September 2015
Year(s) Of Engagement Activity 2015
 
Description Belova D.A Talk on Nickel Adsorption on Chalk and Calcite: Pure Synthesised vs Biogenic Material 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Belova D.A, Lakshtanov L.Z., Corneiro J.F., Bovet N. & Stipp S.L.S. (talk 2015)
Nickel Adsorption on Chalk and Calcite: Pure Synthesised vs Biogenic Material,
Goldschmidt Conference, Prague, Czech Republic, 16 - 21 August 2015.
Year(s) Of Engagement Activity 2015
 
Description Budi A. Talk on Solvation and thermodynamic calculations of small organic molecules on mineral surfaces 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Budi A., Andersson M. P., Stipp, S.L.S. (talk 2015)
Solvation and thermodynamic calculations of small organic molecules on mineral surfaces,
31st European Conference on Surface Science (ECOSS-31), Barcelona, Spain; 31 August - 4 September 2015
Year(s) Of Engagement Activity 2015
 
Description CaCO3 polymorph growth and stabilization in water-ethanol mixtures. 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Goldschmidt Conference Abstracts, Mineralogical Magazine Vol. 75 (3), 1790.

August 14-19, 2011 in Prague, Czech Republic

Sand, K.K., Rodriguez-Blanco, J.D., Makovicky, E., Benning, L. G. and Stipp S.L.S. 2011.

Peer recognition
Year(s) Of Engagement Activity 2011
 
Description CaCO3 polymorphs: spherulitic growth and stabilization in water-ethanol. 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact MRS conference, Boston. November 28 - December 2, 2011

Sand, K.K., Rodriguez-Blanco, J.D., Makovicky, E., Benning, L.G. and Stipp S.L.S. 2011.

peer recognition and dissemination
Year(s) Of Engagement Activity 2011
 
Description Café Scientifique "Are we smarter than coccoliths?" (December 2010) - Tiffany Walsh 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach Regional
Primary Audience Public/other audiences
Results and Impact -
Year(s) Of Engagement Activity 2010
 
Description Café Scientifique "Walking on Eggshells" (February 2013) JRM Stewart 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach Regional
Primary Audience Public/other audiences
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Conf Abstract Do amino acids inhibit calcite growth?, Mineralogical Magazine, 77, 1781, 2014, G. Montanari, N. Bovet, and S. L. S. Stipp 
Form Of Engagement Activity A magazine, newsletter or online publication
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2014
 
Description Contributed talk at MGMS and RSC MMG Young Modellers Forum, "Modelling the Incorporation of Biomolecules into Calcite", , London, November 2012. David Sparks 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach National
Primary Audience Postgraduate students
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Demarchi, B. Proteomics on avian eggshell: count your chickens before they're hatched? 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Demarchi, B.< presslee, S., Wilson, J and Collins, M.
Proteomics on avian eggshell: count your chickens before they're hatched?
European Archaeologists Association Annual Meeting, Glasgow, Sep 2015
Year(s) Of Engagement Activity 2015
 
Description Impact Workshop for Academica and Industry 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Title of workshop: "What can we learn about controlling the crystallisation, self-assembly and
properties of materials from biological systems?"

Purpose of the workshop Organised in conjunction with "EPSRC Directed Assembly Network" (Bath)

Biomineralisation-the process by which organisms make minerals - is a classic example of the use of a soft surface (arrays of molecules or scaffolds) to control nucleation and self-assembly. It further involves the paradox that a soft, flexible surface can control how a stiff material (the mineral) can nucleate and grow. Understanding this process involves elucidating a range of strategies at several length and timescales: directed nucleation, templating, inhibition, and aggregation. At every stage, the interface between the hard mineral and the soft organic molecule, array or scaffold is crucial. The resulting biomaterials have complex hierarchical structures, often with distinct structural features at different length-scales, elaborate morphologies and distinctive properties. Both the properties and the forms are often completely different from those of the pure mineral produced by standard processing methods. The remarkable control organisms exert over the composition, crystallography, morphology and properties of materials suggests that understanding the strategies organisms use to make biominerals is key to designing new materials and processes

Understanding the mechanisms: the possibility of control: There is a continuing debate on the mechanisms of biomineralisation - whether classical nucleation theory (with perhaps some extensions) is sufficient or whether an entirely different approach is needed. Are there pre-nucleation clusters present and, if so, what is their role? How important is the role of an amorphous phase in crystallisation of minerals? We need to think more clearly about mechanisms in terms of rates and not simply of energies.
Controlling the growth; templating; patterning and other surface interactions: What do we mean by templating and patterning - particularly as it has become clear that it is the flexibility of the substrate that makes surface templating possible. What are the important surface interactions in determining shape and structure and how can we use surface interactions for the directed design of processes, functional assemblies and composites?

Controlling the solution chemistry and the local environment: Biomineralisation usually takes place in a small, controlled environment. We need to understand better the role of solution chemistry, in particular how organic molecules can control the local solution chemistry (for example acting as concentrators of cations that can then form the basis of nucleating clusters). Organic molecules also act as bridges that enable ions to get through the highly-structured water layers close to the surface and so enhance crystal growth rates. The fact that crystallisation takes place under confinement also matters - this can have a strong effect on the mechanisms.

Controlling the properties: biocomposites: Biocomposites can have macroscale structure (such as layered composites or simply incorporate organic molecules randomly into a mineral matrix. What properties can be affected by incorporation and can this effect be controlled? Would we get a bigger effect if the molecules could be ordered in some way and how could we do this? How can understanding the construction of complex materials like nacre and bone help us to design multi-functional composites.
Year(s) Of Engagement Activity 2015
 
Description Invited Talk Introduction to Multiscale Modelling of Materials, (Tutorial lecture featuring work from Programme Grant), CECAM Tutorial on Multiscale Modelling Methods For Applications In Materials Science (16-20 September 2013), J. A. Elliott 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Invited Talk Defects and Interfaces in biogenic and bioinspired minerals, CECAM Workshop, Lausanne 2011, R. Kröger 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Invited Talk Free Energy Methods and Multiscale Modelling, (Tutorial lecture featuring work from Programme Grant), Summer School on Atomistic Simulation Techniques (23-24 September 2013), University of Antwerp, Netherlands, J. A. Elliott 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Invited Talk Generation of Inorganic Functional Materials - Implementation of Biomineralization Principles, Composites at Lake Clare, Canada, 2011 Meldrum 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Invited Talk Generation of Inorganic Functional Materials - Implementation of Biomineralization Principles, Plenary Lecture at the 20th meeting of the German Crystallographic Society (2012) Meldrum 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk Generation of Inorganic Functional Materials - Implementation of Biomineralization Principles, Plenary Lecture, Symposium on Organic/Inorganic Materials, Toba-city, Japan, 2011, Meldrum 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Invited Talk Generation of Inorganic Functional Materials - Implementation of Biomineralization Principles, Bio-Inspired Engineering International Symposium, Harvard University, 2012, Meldrum 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk Generation of Inorganic Functional Materials - Implementation of Biomineralization Principles, MRS Spring 2012 Meldrum 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk Generation of Inorganic Functional Materials - Implementation of Biomineralization Principles, Schloss Ringberg, Germany, 2012 Meldrum 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk Hard-soft interfaces: from understanding to engineering, Heterogeneous nucleation and microstructure formation: steps towards a system and scale bridging understanding (SPP1296), Frankfurt, July 2013 M P Allen 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Invited Talk Modelling the Crystallisation of Calcium Carbonate on Self-assembled monolayers, Spring MRS meeting, San Francisco (2012) Dorothy Duffy 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk Simulating crystal growth and oriented attachment; MRS Spring Meeting, San Francisco, 2014, J. H. Harding, C.L. Freeman, Š. Ružicka, Mi.P. Allen, J.A Elliott, P.J Kiley, D.M. Duffy, A.S. Côté and R. Darkins 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2014
 
Description Invited Talk Simulating the Role of extra-cellular DNA in cellular adhesion, Invited talk, Goldschmidt Conference, Florence 2013, J.H. Harding, C.L. Freeman, R. Walton, S. Banwart, S. Rolfe, M. Geoghegan 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Invited Talk Structural characterisation of the mineral phase and organic/mineral interfaces in the coral skeleton, MRS Fall Meeting in Boston 11/2010, R. Kröger 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Invited Talk Studying mineral/organic composites with electron microscopy - Materials Science at the Physics/Biology interface, Leeds Nanoscience and Nanotechnology Facility (LENNF) re-launch event, June 2013, Roland Kröger 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Invited Talk What can we learn about biomineralisation from molecular dynamics, CCP5 Annual Meeting, Huddersfield; 2012, Dorothy Duffy 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk "Enhanced Conformational Sampling of Peptides Adsorbed on Inorganic Surfaces", invited talk at American Chemical Society Spring Meeting March 2012, San Diego. Tiffany Walsh 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk Hard-Soft Matter Composites: In situ studies of precipitation dynamics and structure in liquids using electron microscopy, at the Electron Microscopy and Analysis Group (EMAG) conference in York 2013. Roland Kröger 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Invited Talk Multiscale Modelling of Hard-Soft Interfaces in Bio-inspired Composites, MRS Fall 2010 Elliott & Kiley 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2010
 
Description Invited Talk NOSSI Workshop on QM/MM Methods and Applications, Biarritz, 2011 David Quigley 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Invited Talk Nanochalk symposium, Copenhagen, 2013 - P.M. Rodger 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Invited Talk Simulations on the edge: the troubles and trials of simulating interfaces, CCP5 Annual meeting, Bath; 2011 John Harding 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Invited Talk Studying carbonate precipitation in situ using electron microscopy, Microscopy & Microanalysis Conference, Phoenix, August 2012 Roland Kr?ger 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk The mineral-organic interface - clues from a combined Theoretical-Experimental approach, Nano-chalk Symposium Copenhagen 2013 John Harding 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Invited Talk "Pragmatic Approaches for Modelling Structures of Bio-Interfaces using Advanced Sampling", invited talk at Materials Research Society Spring Meeting April 2012, San Francisco. Tiffany Walsh 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk "The Interaction of Biomolecules with Calcium Carbonate - Which Side is in Control?" CECAM workshop on Structure-property Relationships in Hierarchical Biocomposites, Lausanne, July 2012 John Harding 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk 22nd V. M. Goldscmidt Conference, Montreal, 2012 David Quigley 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk Investigating Molecular-Level Control at Peptide-Inorganic Interfaces using Molecular Simulation, Pepcon2012, March 2012, Beijing Tiffany Walsh 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited Talk Max Planck Institute Workshop : Beyond Molecular Dynamics, Dresden, 2012 David Quigley 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Invited talk' ACS Spring Meeting, New Orleans 2018; "Understanding the mechanisms of biomineralisation: a grand challenge" 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Invited talk given in USA to showcase simulation results of programme grant. Significant interest and discussion resulted
Year(s) Of Engagement Activity 2018
 
Description Keynote Generation of Inorganic Functional Materials - Implementation of Biomineralization Principles, Bio-Inspired Materials 2012, Potsdam, Germany Meldrum 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description MIT International Science and Technology Initiatives 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Public/other audiences
Results and Impact MIT International Science and Technology Initiatives held in La Laguna - an invited talk

Covered by Canary Islands and Spanish National Television
Year(s) Of Engagement Activity 2016
 
Description Mesocrystal formation of aragonite? -Evidence for a classical crystallisation pathway. 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Faraday discussions 159: Crystallization - a Biological Perspective. The University of Leeds, United Kingdom.

Sand, K.K., Verch, A., Makovicky, E., Van de Locht, R., Morrison, I., Rodriguez-Blanco, J. D., Benning, L., Kröger, R. and Stipp, S. L.S. 2012.

Dissemination and peer recognition
Year(s) Of Engagement Activity 2012
 
Description Mineral-biomolecule binding and the mechanisms of biomineralisation 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Invited talk given at the Goldschmidt conference (Paris 2017). Considerable interest expressed in the work on survival of protein sequences into deep time
Year(s) Of Engagement Activity 2017
 
Description NERC podcast on collagen - Interview with Matthew Collins 
Form Of Engagement Activity A press release, press conference or response to a media enquiry/interview
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Public/other audiences
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Nielsen M.R. Talk on Inhibition of Calcite Growth: Insight into the Behaviour of Mg2+, SO42- and MgSO4 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Nielsen M.R., Sand K.K., Rodriguez-Blanco J.D., Bovet N., Dalby K.N., Generosi J., Stipp S.L.S. (talk 2015)
Inhibition of Calcite Growth: Insight into the Behaviour of Mg2+, SO42- and MgSO4,
Goldschmidt Conference, Prague, Czech Republic, 16 - 21 August 2015.
Year(s) Of Engagement Activity 2015
 
Description Organised CCP5 Workshop: Water, water everywhere; nor any drop to drink 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation workshop facilitator
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2006
 
Description Photophysical studies of biologically produced macromolecules. Goldschmidt Conference 2013. Mineralogical Magazine, 77, 5, 680, Belkasem, EF, Swanson, L and Romero-González, M. E. 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Poster Crystallisation in Confinement, Faraday Discussion Meeting, July 2012, R. Darkins, A. Côté, D.Duffy 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Poster Crystallisation on alkane- and aromatic thiol self-assembled monolayers: A metadynamics study, Faraday Discussion Meeting, July 2012 A. Côté, R. Darkins, , D.Duffy 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Poster Structural characterisation of calcite nanorods using transmission electron microscopy, Electron Microscopy and Analysis Group (EMAG) conference in Birmingham, September 2011, R. van de Locht, A. Verch, Y.-Y. Kim, F. Meldrum, and R. Kröger 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Poster "The attachment of cells to minerals: studies on model polymers for bacterial biofilm". Society for Applied Microbiology. Summer conference. (2012). Belkasem, F; Swanson, L and Romero-González, ME. 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Poster Studying Carbonate Precipitation in situ using electron microscopy, Electron Microscopy and Analysis Group (EMAG) conference in Birmingham 2011, van de Locht 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Poster Studying Carbonate Precipitation in situ using electron microscopy, European Microscopy Congress 2012, Manchester, van de Locht 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Poster Understanding how hard-soft interfaces control the growth of complex structures, MRS Fall 2012, Elliott & Kiley 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Poster (Gordon Conference 2008) 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Poster enhanced debate and discussion on the topic

Enabled networking with scientists interested in the topic.
Year(s) Of Engagement Activity 2008
 
Description Poster - Adaptive Resolution Mesoscale Modelling of Biomineral-solvent Interactions, Faraday Discussion 159, July 23rd 2012, London Kiley, P.J, Elliott, J.A., 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Poster In situ experiments on the crystallisation of CaCO3, Gordon Research Conference on Biomineralization, New London, NH, A. Verch, R. van de Locht, I. Morrison and R. Kröger 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Presentation (Goldschmidt): Effects of a common buffer on calcium phosphate nucleation: Does TRIS modify the association of calcium and phosphate ions? 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Presentation at International conference; resulted in debate/discussion and international collaboration
Year(s) Of Engagement Activity 2018
 
Description Presentation (Goldschmidt): Why no Aragonite? Polymorph selection in the early stages of calcium carbonate nucleation 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Talk given at international conference resulting in debate/discussion and collaboration
Year(s) Of Engagement Activity 2018
 
Description Presentation (MRS): Simulating the effect of organic molecules on clustering in calcium carbonate and phosphate 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Presentation given at international meeting (MRS) giving rise todebate/discussion
Year(s) Of Engagement Activity 2018
 
Description Press Publication in the media under "Sea urchin spine structure inspires idea for concrete". The precise structure of sea urchins' strong spines has been unravelled. Meldrum 
Form Of Engagement Activity A press release, press conference or response to a media enquiry/interview
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Public/other audiences
Results and Impact -
Year(s) Of Engagement Activity 2012
URL http://www.bbc.co.uk/news/science-environment-17027941
 
Description Radio York Interview Matthew Collins spoke on collagen survival (November 2011) 
Form Of Engagement Activity A press release, press conference or response to a media enquiry/interview
Part Of Official Scheme? No
Geographic Reach Regional
Primary Audience Public/other audiences
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Similarities of crystal morphologies in corallites and aragonite formed by ethanol-assisted precipitation studied by in-situ and ex-situ electron microscopy 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation poster presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Gordon Research Conference of Biomineralization, New Haven USA (I.e. Not published.)

Kröger, R., Locht, R. v.d., Verch, A., Morrison, I., O'Toole, P., Saunders, M., Sand, K.K. 2012.

Dissemination and peer involvement
Year(s) Of Engagement Activity 2012
 
Description Structural characterization of the mineral phase and organic/mineral interfaces in the coral skeleton, Symposium on Biomineralization, MRS Fall Meeting, Boston, November 2010. Roland Kröger 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2010
 
Description Studying the Adsorption of Polymers and Biomolecules on Surfaces Using Enhanced Sampling Methods 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Invited paper at MRS Spring Meeting 2012, San Francisco.

Dissemination and peer involvement
Year(s) Of Engagement Activity 2012
 
Description Talk Generation of Inorganic Functional Materials - Implementation of Biomineralization Principles, Bio-Inspired Materials 2012, Potsdam, Germany, Schenk 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Talk A Structural Analysis of Calcium Carbonate Mesocrystals, 2014 MRS Spring Meeting, San Francisco, USA, Yi-Yeoun Kim, Anna Schenk, Johannes Ihli, Chiu Tang, Wolfgang Schmahl, Erika Griesshaber, Geoffrey Hyett and Fiona Meldrum 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2014
 
Description Talk Artificial Biominerals and Beyond: Using Soluble Additives to Control the Structures and Properties of Crystals, UCL London, Meldrum FC 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Talk Bio-Inspired Approaches to Crystals with Composite Structures, EMRS Lille, France, May 2014, Meldrum FC 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2014
 
Description Talk Calcite Nucleation and Growth in Confinement, CECAM meeting on Structure Property relationships in Hierarchical Biocomposites; Lausanne (2012) A. Côté 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Talk Generation of Inorganic Functional Materials - Implementation of Biomineralization Principles, CECAM Meeting, Lausanne, 2011, Schenk 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Talk Hard-Soft Matter Interfaces , Symposium Hybrid (Soft-Hard) Materials and Interfaces, Kröger & Verch 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2010
 
Description Talk Photophysical studies of biological produced macromolecules. Goldschmidt 2013, Belkasem, Swanson and Romero-González 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Talk Simulations of calcite crystallisation on self-assembled monolayers, XXII International Materials Research Congress (IMRC) (11-15 August 2013) Cancun, Mexico. Côté, A.S., Darkins, R. and Duffy, D.M. 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Talk Studying Carbonate Precipitation in situ using electron microscopy, Electron Microscopy and Analysis Group (EMAG) conference in Birmingham 2011, Verch 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Talk Studying Carbonate Precipitation in situ using electron microscopy, European Microscopy Congress 2012, Manchester, Verchposter, Verch 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Talk Studying Carbonate Precipitation in situ using electron microscopy, MRS Fall 2012, Kroeger & Verch 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Talk Studying Carbonate Precipitation in situ using electron microscopy, MRS Spring 2012, Verch 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Talk Adaptive Resolution Coarse-Graining of Collagen-Hydroxyapatite Nanocomposites, MRS Fall 2011 Elliott & Kiley 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Talk Adaptive Resolution Mesoscale Modelling of Biomineral-Solvent Interactions, CECAM Workshop, Lausanne 2011, Elliott & Kiley 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Talk Defects and Interfaces in biogenic and biomimetic materials, Materials Chemistry conference in Manchester, July 2011 - Kröger et al 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Talk (Goldschmidt) Simulating the effect of peptides on calcium carbonate nucleation 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Talk given at international meeting; questions and debate afterwards
Year(s) Of Engagement Activity 2018
 
Description Talk - Coarse-graining of Collagen-Hydroxyapatite Nanocomposites - Materials Research Society Fall Meeting, December, 2011, Boston, USA Patrick Kiley 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Talk - Multi-scale Modelling of Collagen-solvent Interactions - at Structure-Property Relationships in Hierarchical Biocomposites, July 16th, 2012, CECAM-HQ-EPFL, Lausanne, Switzerland. Patrick Kiley 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2012
 
Description Talk Comparison of mineralization patterns in juvenile and mature reef-building corals, MRS Fall Meeting in Boston, November 2011 Kröger et al 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Talk Microstructure of biological and bioinspired minerals, Electron Microscopy and Analysis Group (EMAG) conference in Birmingham, UK, September 2011 Kröger et al 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2011
 
Description Tiffany Walsh on Australian TV: on programme SCOPE (Channel 10 network) "Computer modelling of mother of pearl" (children's science programme) (May 2013) 
Form Of Engagement Activity A press release, press conference or response to a media enquiry/interview
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Schools
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description Tobler D., Talk on Biomolecule Control on CaCO3 Mineralisation 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Tobler D., Rodriguez-Blanco J.D., Dideriksen K., Bovet N.,Sand K.K., Stipp S.L.S. (talk 2015)
Biomolecule Control on CaCO3 Mineralisation,
Goldschmidt Conference, Prague, Czech Republic, 16 - 21 August 2015
Year(s) Of Engagement Activity 2015
 
Description Understanding biomineralisation, what has DL_POLY ever done for us? 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Invited talk at meeting to celebrate the impact of the DL_POLY code. Demonstrated impact to audience in area of biomineralisation
Year(s) Of Engagement Activity 2017
 
Description Wang-Landau Simulations of Adsorbed and Confined Lattice Polymers. 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Invited presentation at Workshop on Recent Developments in Computer Simulational Studies

in Condensed Matter Physics, Athens Georgia.

Dissemination and peer involvement
Year(s) Of Engagement Activity 2012
 
Description When the surface is not what you think it is. 
Form Of Engagement Activity A magazine, newsletter or online publication
Part Of Official Scheme? No
Type Of Presentation paper presentation
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Stipp, S.L.S., Hassenkam, T., Yang, M., Skovbjerg L.L., Sand K.K., Pasarín, I., Bohr, J. 2012.
Goldschmidt Conference Abstract. Montrèal, Canada.

Peer recognition
Year(s) Of Engagement Activity 2012
 
Description exhibition of images 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach Local
Primary Audience Public/other audiences
Results and Impact We exhibited scientific images (of crystals) at the North Bar, Leeds over a period of 3 months.

none
Year(s) Of Engagement Activity 2013
 
Description invited Talk Molecular Simulations Of Collagen-Mimetic Peptides Under Confinement, XXII International Materials Research Congress (IMRC) (11-15 August 2013) Cancun, Mexico, J. A. Elliott (invited), M. J. Collins, P. J. Kiley 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Type Of Presentation keynote/invited speaker
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description invited seminar, Deakin University (Australia) - A.R. Finney 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Other academic audiences (collaborators, peers etc.)
Results and Impact -
Year(s) Of Engagement Activity 2013
 
Description superposition 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach Local
Primary Audience Public/other audiences
Results and Impact I presented as part of "Superposition" which is a regular series of events aimed at causing mixing between artists and scientists

None
Year(s) Of Engagement Activity 2012