EPSRC Shaping Capability
RSC response to the EPSRC call for evidence and information
sources for consideration
The RSC is the largest organisation in Europe for advancing the chemical sciences.
Supported by a network of over 47,000 members worldwide and an internationally
acclaimed publishing business, its activities span education and training, conferences
and science policy, and the promotion of the chemical sciences to the public.
This document represents the views of the RSC. The RSC has a duty under its Royal
Charter "to serve the public interest" by acting in an independent advisory capacity,
and it is in this spirit that this submission is made.
We welcome the opportunity to provide the EPSRC with information that will help
them to develop their Shaping Capability Programme. In order for this programme to
be successful, it needs to seek out and make use of all of the high quality data that is
available, to follow a clear implementation plan, and the EPSRC need to bring the
community with them. The meeting between the EPSRC and RSC Division
representatives on Wednesday 12 October 2011 was a welcome step and should
provide a platform for better engagement in the future.
We further recommend that the EPSRC clearly communicates how the data they
have utilised has been interpreted to make the decisions to raise, reduce or maintain
funding for research in the various areas of the Shaping Capabilities portfolio. The
RSC welcomes the clarification at the 12 October meeting that the EPSRC Council
makes these decisions based on recommendations from Strategic Advisory Teams
(SATs). However, this should be communicated more widely to the research
community, and the RSC would be happy to assist the EPSRC in communicating
with our membership.
The RSC consulted with the chemical science community directly through our
electronic newsletter Grapevine and we would like to highlight the following
pieces of evidence and information to support investment in chemical science
research and infrastructure:
1. Chemistry for Tomorrow’s World: a roadmap for the chemical sciences –
http://www.rsc.org/roadmap
2. The Economic Benefits of Chemistry Research to the UK –
http://www.rsc.org/ScienceAndTechnology/Policy/Documents/ecobenchem.as
p
3. Powering the World with Sunlight, a white paper from the 1st Chemical
Sciences and Society Summit (CS3) 2009 –
http://www.rsc.org/suppdata/ee/b9/b924940k/b924940k.pdf
4. A Sustainable Global Society: how can material’s chemistry help?
a white paper from the 2nd Chemical Sciences and Society Summit (CS3)
2010 – http://www.rsc.org/sustainablematerials
5. A white paper from the 3rd Chemical Sciences and Society Summit (CS3):
‘Chemistry for Better Health’ (to be launched January 2012)
6. Face to Face: UK Chemistry-Biology Interface –
http://www.rsc.org/ScienceAndTechnology/Policy/Documents/facetoface.asp
7. International Review of Chemistry –
http://www.epsrc.ac.uk/newsevents/pubs/corporate/intrevs/2009ChemistryIR/
Pages/default.aspx
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8. The Medicinal Chemist’s Toolbox: An Analysis of Reactions Used in the
Pursuit of Drug Candidates - http://dx.doi.org/10.1021/jm200187y
9. Data submitted to the RSC by the University of Southampton
10. Whitesides G.M. and Deutch J., Let’s get practical, Nature Vol 469, 6 Jan
2011, p. 21
11. Mapping Research Excellence: exploring the links between research
excellence and research funding policy, The 1994 Group http://www.1994group.ac.uk/documents/110915_MappingResearchExcellenc
e_1.pdf
12. Evaluation of the Collaborative Research and Development Programmes http://www.innovateuk.org/_assets/pdf/publications/pacec_evaluation_of_cran
dd_report.pdf
13. Data submitted to the RSC by the University of Nottingham (see Appendix
One)
14. The Scientific Century: securing our future prosperity, Royal Society http://royalsociety.org/policy/publications/2010/scientific-century/
15. Data submitted to the RSC by the RSC Macrocyclic and Supramolecular
Chemistry Group (see Appendix Two)
16. Education and Wealth, Chemistry World, September 2009 http://www.rsc.org/chemistryworld/Issues/2009/September/Educationandweal
th.asp
17. Citation averages, 200-2010, by fields and years, Times Higher Education,
March 2011 http://www.timeshighereducation.co.uk/story.asp?storycode=415643
In addition to these sources, the RSC recommends that the EPSRC consults directly
with the research community and chemistry departments to seek out further data and
evidence. The RSC acknowledges that the EPSRC consulted senior management at
higher education institutions. We suggest that detailed data on the physical science
research landscape, research outputs and pathways of PhD graduates, for instance,
could be obtained by talking directly to the research community. It may be necessary
to commission an external body to carry out this data gathering.
Closer engagement with senior members of the scientific community, for instance
learned society presidents working with international experts, will involve the
community in the Shaping Capability process and support Strategic Advisory Teams.
This would help to ensure that strategic decisions on research priorities reflect both a
national industrial strategy and academic priorities, and would improve acceptance of
strategic decisions across the scientific community. This would enhance our ability to
move swiftly to support emerging and breakthrough areas of science, and to capture
early intellectual property, commercialisation and investment opportunities.
The EPSRC should show greater transparency in their processes,
consultations and decision making
The RSC recognises that in the current economic climate, less public funding is
available for research and that difficult decisions need to be made about the excellent
research that we can support. The scientific community is facing many challenges
that include sustaining financial support for conducting world-class research, and
maintaining a healthy skills pipeline to deliver the scientists of the future. It is now
more important than ever for the community to work closely with research councils
and funders to develop our world class science base and drive economic growth.
There is an opportunity for research councils to develop a portfolio that reflects the
dynamic UK research landscape while maximising social and economic benefit by
engaging with the scientific community, and with each other.
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The key areas of science that underpin growth and a broad range of data sources
must be identified. In shaping the EPSRC portfolio, a wide range of data from
outside the existing EPSRC grant portfolio should be considered to ensure that
emerging and breakthrough areas of science are not overlooked. A 2008 survey of
the chemistry-biology interface community indicated that only 38% of principal
investigators within this community received an EPSRC grant over a three year
period and only 19% cited the EPSRC as their main funder. The EPSRC should also
make sure that “rising stars” within the research community and emerging
breakthrough research areas are not overlooked simply because they do not hold
current EPSRC grants.
As a first step, the RSC recommends that the EPSRC publishes clearer information
on processes, consultations and decisions made as part of the Shaping Capability
exercise. We welcomed the clarification on a number of areas at a meeting between
the EPSRC and members of the chemical science community held on 12 October
2011, and would encourage the EPSRC to disseminate this information more widely.
Clear information the on terms of reference and remit of Strategic Advisory Teams
would be particularly useful together with clarification how data analysed influenced
decisions on research priorities. Clarity on how Shaping Capability will be used to
prioritise grant proposals, in particular post-panel ranking, would also be welcomed
by the scientific community.
The RSC report, Chemistry for Tomorrow’s World: a roadmap for the chemical
sciences, identifies a number of priority areas and global challenges, and the many
ways in which the chemical sciences will make a fundamental contribution towards
solving these challenges. These priority areas closely match the themes identified in
the EPSRC portfolio. We also recognise that many future breakthroughs will come
from fundamental chemical science including but not exclusively, analytical science,
catalysis, chemical biology, computational chemistry, materials chemistry,
supramolecular chemistry, nanoscience, synthesis and physical chemistry. The
Royal Society in its 2010 report, The Scientific Century, cites several 20th Century
examples of big scientific breakthroughs that originated from fundamental curiositydriven research with no obvious original application, social or economic benefit. The
UK scientific community needs to work in partnership with research councils to
ensure that the UK is best placed to reap the benefits from the breakthrough science
of tomorrow.
The scientific community, working with the research councils and the RSC needs to
ensure that excellence in chemistry is maintained despite a challenging economic
climate. We are working with the chemical science community to develop a vision for
the future of the chemistry landscape in the UK. This initiative will outline a national
strategy to ensure the most supportive environment for the chemical sciences that
can generate future breakthroughs, support growth and provide solutions to global
challenges. We look forward to working with the EPSRC and other research funders
to achieve the recommendations with the Chemistry Landscape report.
The EPSRC should review the processes and mechanisms by which they
communicate with the research community
Future announcements on funding decisions across the research landscape should
be made simultaneously. Much of the recent disquiet from the chemical science
community may have been reduced had the announcements of funding for all
strategic areas been made simultaneously. Published updates and guidance on
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mechanisms by which the Shaping Capability exercise is being carried out should be
available on the EPSRC website. Clearly defined opportunities for the research
community to engage with the EPSRC on its website could help to remove barriers to
engagement.
There is an opportunity for learned societies to better engage with the EPSRC and
other research councils to communicate developments in funding programmes and
policy – in particular, developments that require input and engagement from the
research community.
The EPSRC could do much more to communicate proactively and engage positively
with the scientific community. We would suggest that they post easily accessible
information on the EPSRC website. The RSC would be happy to offer our support in
communicating with the chemical science community and we encourage the EPSRC
to engage with other learned societies in a similar fashion.
Longer term recommendations:
A multidisciplinary strategy and plan of action will be required to influence the 2012
Comprehensive Spending Review. The RSC looks forward to working with the
EPSRC in providing a follow-up report to the 2010 analysis of The Economic Benefits
of Chemistry Research to the UK.
An audit of current “facilities” should be carried out and the issue of capital spending
should be addressed.
A review of mechanisms for awarding Fellowships and PhD studentships (including
from Responsive Mode) and funding for consumables should be carried out. We
welcome the recently announced review of Doctoral Training Centres (DTCs) but
strongly encourage the EPSRC to solicit broad and detailed feedback from the
physical science community, as we have encountered wide-ranging and strong views
on the effectiveness of DTCs. DTCs were initiated in a funding environment that
involved widespread use of project-based studentships. Now that the latter have
been terminated, the disposition of DTCs, both in their scientific and geographic
disposition for the training of postgraduate students in the chemical sciences, is in
need of urgent review. We look forward to communicating recommendations from the
chemical science community as part of our Chemistry Landscape exercise.
Moving forward, a coherent strategy for research funding across the research
councils should be established to ensure that capability across the entire UK
research landscape is united.
This should be accompanied by a joined-up engagement strategy between the
research councils and the learned societies. The learned societies exist (in part) to
act as the honest brokers between funding bodies and the scientific community they
represent. In this sense, organisations such as the RSC can help research councils
to better engage with the community and vice versa to effectively communicate the
viewpoints and needs of UK researchers.
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Appendix One: Data from University of Nottingham
Research outputs accessed for RAE2008 (judged 85% 4* and 3*) (names
in red indicate PhD students).
ANDERSON, JA
1. An Asymmetric Nitro-Mannich Reaction Applicable to Alkyl, Aryl and
Heterocyclic Imines. Anderson, J.C.; Howell, G.P.; Lawrence, R.M.; Wilson, C. J.
Org. Chem. 2005, 70, 5665-70.
2. Vinyl-dimethylphenylsilanes as Safety Catch Silanols in Fluoride free Palladium
Catalysed Cross Coupling Reactions. Anderson, J.C.; Munday, R.H. J. Org. Chem.
2004, 69, 8971-4.
3. Total Synthesis of (±)-Kainic Acid with an Aza-[2,3]-Wittig Sigmatropic
Rearrangement as the Key Stereochemical Determining Step. Anderson, J.C.;
Whiting, M. J. Org. Chem. 2003, 68, 6160-3.
4. Investigation of the Importance of Nitrogen Substituents in a N-P Chiral Ligand
for Enantioselective Allylic Alkylation. Anderson, J.C.; Cubbon, R.J.; Harling, J.D.
Tetrahedron: Asymmetry 2001, 12, 923-35.
BESLEY, N. A.
1. BESLEY, N.A., 2006. Application of Wigner and Husimi intracule based electron
correlation models to excited states. The Journal of Chemical Physics 125 (7),
074104.
Extends a radical new approach to the electron correlation problem to excited
states.
2. BESLEY, N.A., OAKLEY, M.T., COWAN, A.J. and HIRST, J.D., 2004. A sequential
molecular mechanics/quantum mechanics study of the electronic spectra of
amides. Journal of the American Chemical Society, 126(41), 13502-13511.
3. BESLEY, N. A. and NOBLE, A., 2007. Time-dependent density functional theory
study of the X-ray absorption spectroscopy of acetylene, ethylene and benzene
on Si(100). Journal of Physical Chemistry C, 111(8), 3333-3340.
4. BESLEY,N. A. and METCALF,K. A., 2007. Computation of the amide I band of
polypeptides and proteins with a partial Hessian approach. Journal of Chemical
Physics, 126(3), 035101.
BLAKE, A. J.
1. ALLAN, D.R., BLAKE, A.J., HUANG, D., PRIOR, T.J. and SCHRODER, M., 2006.
High pressure co-ordination chemistry of a palladium thioether complex: pressure
versus electrons. Chemical Communications, 2006, 4081-4083.
2. KHLOBYSTOV, A.N., BRETT, M.T., BLAKE, A.J., CHAMPNESS, N.R., GILL,
P.M.W., O NEILL, D.P., TEAT, S.J., WILSON, C. and SCHRODER, M., 2003.
Stereoselective association of binuclear metallacycles in coordination polymers.
Journal of the American Chemical Society, 125, 6753-6761.
3. ANTONIADIS, C.D., BLAKE, A.J., HADJIKAKOU, S.K., HADJILIADIS, N.,
HUBBERSTEY, P., SCHRODER, M. and WILSON, C., 2006. Structural
characterization of selenium and selenium-diiodine analogues of the antithyroid
5
drug 6-n-propyl-2-thiouracil and its alkyl derivatives. Acta Crystallographica,
Section B: Structural Science, 62(4), 580-591.
4. BLAKE, A.J., LI, W.-S., LIPPOLIS, V., PARSONS, S. and SCHRODER, M., 2007.
Extended structures of polyiodide salts of transition metal macrocyclic complexes.
Acta Crystallographica, Section B: Structural Science, 63, 81-92.
CHAMPNESS, N. R.
1. Theobald, J.A., Oxtoby, N.S., Phillips, M.A., Champness, N.R., Beton, P.H.
2003. Controlling molecular deposition and layer structure with supramolecular
surface assemblies. Nature, 424, 1029-1031.
2. Oxtoby, N.S., Blake, A.J., Champness, N.R., Wilson, C. 2002. Using multimodal
ligands to influence network topology in silver(I) coordination polymers.
Proceedings of the National Academy of Sciences of the United States of America,
99, 4905-4910.
3. D-L. Long, A.J. Blake, N.R. Champness, C. Wilson, M. Schroder. 2001.
Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies.
J. Am. Chem. Soc., 123, 3401-3402.
4. N.S. Oxtoby, A.J. Blake, N.R. Champness, C. Wilson, 2005. Water
superstructures within organic arrays; hydrogen-bonded water sheets, chains and
clusters. Chem. Eur. J., 11, 4643-4656.
DOWDEN, J.
1. DOWDEN, J., BERRIDGE, G., MOREAU, C., YAMASAKI, M., CHURCHILL, G. C.,
POTTER, B. V. and GALIONE, A., 2006. Cell-Permeant Small-Molecule Modulators
of NAADP-Mediated Ca2+ Release. Chemistry & Biology, 13(6), 659-665.
2. DOWDEN, J., MOREAU, C., BROWN, R. S., BERRIDGE, G., GALIONE, A. and
POTTER, B. V. L., 2004. Chemical Synthesis of the Second Messenger Nicotinic
Acid Adenine Dinucleotide Phosphate by Total Synthesis of Nicotinamide Adenine
Dinucleotide Phosphate. Angewandte Chemie International Edition, 43(35), 46374640.
3. FOSTER,S.R., PEARCE,A., BLAKE,A.J., WELHAM,M.J. and DOWDEN,J.,
2007. Novel octavalent cross-linker displays efficient trapping of proteinprotein
interactions. Chemical Communications, 2512 - 2514. [0]
4. DOWDEN, J. and SAVOVIC, J., 2001. Olefin metathesis in non-degassed
solvent using a recyclable, polymer supported alkylideneruthenium. Chemical
Communications, 1, 37-38.
GARNER, C. D.
1. In vivo Oxo Transfer: Reactions of Native and W-substituted Dimethylsulfoxide
Reductase Monitored by 1H NMR Spectroscopy. L. J. Stewart, S. Bailey, D.
Collison, G. A. Morris, I. Preece, and C. D. Garner, ChemBioChem, 2001, 2, 703706.
2. A Phenoxyl Radical Complex of Copper(II). L. Benisvy, A. J. Blake, D. Collison,
E. S. Davies, C. D. Garner, E. J. L. McInnes, J. McMaster, G. Whittaker, and C.
Wilson, Chem. Comm., 2001, 1824-1825.
6
3. New Molybdenum(V) Analogues of Amavadin and their Redox Properties. P. D.
Smith, J. J. A. Cooney, E. J. L. McInnes, R. L. Beddoes, D. Collison, S. M. Harben,
M. Helliwell, F. E. Mabbs, A. Mandel, A. K. Powell, and C. D. Garner, J. Chem.
Soc., Dalton Trans., 2001, 3108-3114.
4. ‘The dithiolene ligand – ‘innocent’ or ‘non-innocent’?
A theoretical and
experimental study of some cobalt-dithiolene complexes. G. Periyasamy, N. A.
Burton, I. H. Hillier, M. A. Vincent, H. Disley, J. McMaster, and C. D. Garner,
Faraday Discussions, 2007, 135, 469-488.
GEORGE, M. W.
1. TOWRIE, M., GRILLS, D. C., DYER, J., WEINSTEIN, J. A., MATOUSEK, P.,
BARTON, R., BAILEY, P. D., SUBRAMANIAM, N., KWOK, W. M., MA, C. PHILLIPS,
D., PARKER, A. W., GEORGE, M. W., 2003. Development of a Broadband
Picosecond Infrared Spectrometer and its Incorporation into an Existing Ultrafast
Time-Resolved Resonance Raman, UV/Visible, and Fluorescence Spectroscopic
Apparatus. Applied Spectroscopy, 57, 367-380.
2. BALL, G. E., DARWISH, T. A., GEFTAKIS, S., GEORGE, M. W., LAWES, D. J.,
PORTIUS, P. and ROURKE, J. P., 2005. Characterization of an organometallic
xenon complex using NMR and IR spectroscopy. Proceedings of the National
Academy of Sciences of the United States of America, 102, 1853-1858.
3. COWAN, A. J., PORTIUS, P., KAWANAMI, H. K., JINA, O. S., GRILLS, D. C.,
SUN, X. Z., MCMASTER, J. and GEORGE, M. W. 2007, Time-resolved infrared
(TRIR) study on the formation and reactivity of organometallic methane and
ethane complexes in room temperature solution, Proceedings of the National
Academy of Sciences of the United States of America, 104, 6933-6938.
4. PORTIUS, P., YANG, J. SUN, X. Z., GRILLS, D. G. MATOUSEK, P., PARKER,
A.W., TOWRIE, M. AND GEORGE, M. W. 2004 Solvent Switching of 3Fe(CO)4 into
1
Fe(CO)4(solvent): A Time-resolved Infrared (TRIR) of the Photochemistry of
Fe(CO)5 in Supercritical Noble Gas. Journal of the American Chemical Society,
126, 10713-10720.
HAYES, C. J.
1. Enantioselective total syntheses of (-)-clasto-Lactacystin β-lactone and 7-epi-()-clasto-Lactacystin β-lactone. Hayes, C. J.; Sherlock, A. E.; Selby, M. D. Org.
Biomol. Chem. 2006, 4, 193–195.
2. An Enantioselective Formal Total Synthesis of (-)-TAN1251A. Auty, J. M. A.;
Churcher, I.; Hayes, C. J. Synlett 2004, 1443-1445.
3. Commercially Available 5'-DMT Phosphoramidites as Reagents for the
Synthesis of Vinylphosphonate-Linked Oligonucleic acids. Abbas, S.; Bertram R.
D. and Hayes, C. J. Organic Letters 2001, 3, 3365-3367.
4. An olefin cross-metathesis approach to vinylphosphonate-linked nucleic acids.
Lera, M.; Hayes, C. J. Organic Letters 2001, 3, 2765-2768.
HIRST, J. D.
1. ROGERS, D. M., HIRST, J. D., 2004. First-Principles Calculations of Protein
Circular Dichroism in the Near Ultraviolet. Biochemistry, 43(34), 11092-11102.
7
2. WATSON, T. M., HIRST, J. D., 2004. Calculating vibrational frequencies of
amides: From formamide to concanavalin A. Physical Chemistry Chemical Physics,
6(5), 998-1005.
3. OAKLEY, M. T., HIRST, J. D., 2006. Charge-Transfer Transitions in Protein
Circular Dichroism Calculations. Journal of the American Chemical Society,
128(38), 12414-12415.
4. MELVILLE, J. L., ANDREWS, B. I., LYGO, B., HIRST, J. D., 2004. Computational
screening of combinatorial catalyst libraries. Chemical Communications,
2004(12), 1410-1411.
HOWDLE, S. M.
1. Duxbury, C. J.; Wang, W.; Geus, M. d.; Heise, A.; Howdle, S. M., Can Block
Copolymers be Synthesized by a Single Step Chemoenzymatic Route in
Supercritical Carbon Dioxide? Journal of the American Chemical Society 2005,
(127), 2384 - 2385.
2. Ginty, P. J.; Howard, D.; Rose, F. R. A. J.; Whitaker, M. J.; Barry, J. J. A.;
Tighe, P.; Mutch, S. R.; Serhatkulu, G.; Oreffo, R. O. C.; Howdle, S. M.;
Shakesheff, K. M., Mammalian Cell Survival and Processing in Supercritical CO2.
Proceedings of the National Academy of Sciences 2006 103, (19), 7426 - 7431
3. Thurecht, K. J.; Gregory, A. M.; Wang, W.; Howdle, S. M.; , "Living" Polymer
Beads in Supercritical CO2 Macromolecules 2007, 40, 2965 – 2967.
4. Materials processing in supercritical carbon dioxide: surfactants, polymers and
biomaterials Woods HM, Silva MMCG, Nouvel C, Shakesheff KM, Howdle SM
Journal Of Materials Chemistry 14 (11): 1663-1678 2004.
JONES, R. G.
1. J. P. Armstrong, C. Hurst, R.G. Jones, P. Licence, K. R. J. Lovelock, C. J.
Satterley and I. J. Villar-Garcia. Vapourisation of ionic liquids. Phys. Chem. Chem.
Phys. 9 (2007) 982-990
2. Miao Yu, C.J. Satterley, S. Bengio, K.R.J. Lovelock, P.K. Milligan, R.G. Jones,
D.P.Woodruff and V. Dhanak. True nature of an archetypal self-assembly system:
mobile Au-thiolate species on Au(111). Phys. Rev. Lett. 97 (2006) 166102, 1-4.
3. M.G. Roper, M.P. Skegg, C.J. Fisher, J.J. Lee, V.R. Dhanak, D.P.Woodruff and
R.G.Jones. Atop adsorption site of sulfur head groups in gold-thiolate selfassembled monolayers. Chem. Phys. Lett. 389 (2004) 87-91
4. A.S.Y. Chan, M.P. Skegg and R.G. Jones. Line of sight techniques: providing an
inventory of all species arriving at and departing from a surface. J. Vac. Sci.
Technol. A 19 (2001) 2007 – 2012.
KHLOBYSTOV, A.
1. Observation of ordered phases of buckminsterfullerene in carbon nanotubes.
A.N. Khlobystov, D.A. Britz, A. Ardavan and G.A.D. Briggs, Physical Review
Letters, 2004, 92, art. No 245507.
2. Chemical reactions inside single-walled nano test-tube. D.A. Britz, A.N.
Khlobystov, K. Porfyrakis, A. Ardavan and G.A.D. Briggs, Chemical
Communications, 2005, 37-39.
8
3. Diameter selective encapsulation of metallocenes in single-walled carbon
nanotubes, L.-J.Li, A. N. Khlobystov, J. G. Wiltshire, G. A. D. Briggs, R. J.
Nicholas, Nature Materials, 2005, 4, 481-485.
4. Toward Controlled Spacing in One-Dimensional Molecular Chains: Alkyl-ChainFunctionalized Fullerenes in Carbon Nanotubes, T.W. Chamberlain, A. Camenisch,
N.R. Champness, G.A.D. Briggs, S.C. Benjamin, A. Ardavan, A.N. Khlobystov,
Journal of the American Chemical Society, 2007, 129, 8609-8614.
LICENCE, P.
1. Ionic liquids in-vacuo; solution-phase X-ray photoelectron spectroscopy, E. F.
Smith, I. J. Villar Garcia, D. Briggs and P. Licence, Chemical Communications,
2005, 5633-5635.
2. Re-writable Imaging on the Surface of Frozen Ionic Liquids, F. J. M. Rutten,
Haregewine Tadesse, P. Licence, Angewandte Chemie International Edition,
2007, 46, 4163-4165.
3. Ionic Liquids in-Vacuo; Analysis of Liquid Surfaces Using Ultra-High Vacuum
Techniques, E. F. Smith, F. J. M. Rutten, I. J. Villar-Garcia, D. Briggs and P.
Licence, Langmuir, 2006, 22, 9386-9392.
4. Selective monoprotection of 1, n-terminal diols in supercritical carbon dioxide:
A striking example of solvent tunable desymmetrization, P. Licence, W. K. Gray,
M. Sokolova and M. Poliakoff, Journal of The American Chemical Society, 2005,
127, 293-298.
LYGO, B.
1. LYGO, B. and ANDREWS, B. I., 2004. Asymmetric Phase-Transfer Catalysis
Utilizing Chiral Quaternary Ammonium Salts: Asymmetric Alkylation of Glycine
Imines. Accounts of Chemical Research, 37(8), 518-525.
2. LYGO, B., CROSBY, J., LOWDON, T. R., PETERSON, J. A. and WAINWRIGHT, P.
G., 2001. Studies on the enantioselective synthesis of alpha-amino acids via
asymmetric phase-transfer catalysis. Tetrahedron, 57(12), 2403-2409.
3. LYGO, B., GARDINER, S., MCLEOD, M.C. and TO, D.C.M., 2007. Diastereoand enantioselective synthesis of α, β-epoxyketones using aqueous NaOCl in
conjunction with dihydrocinchonidine derived phase-transfer catalysis at room
temperature. Scope and limitations. Organic and Biomolecular Chemistry, 5,
2283-2290.
4. LYGO, B., ALLBUTT, B. and JAMES, S. R., 2003. Identification of a highly
effective asymmetric phase-transfer catalyst derived from alphamethylnaphthylamine. Tetrahedron Letters, 44, 5629-5632.
McMASTER, J.
1. WANG, Q., BARCLAY, J. E., BLAKE, A. J., DAVIES, E. S., EVANS, D. J., MARR,
A. C., MCINNES, E. J. L., MCMASTER, J., WILSON, C. and SCHRODER, M., 2004.
The Synthesis and Electronic Structure of a Novel [Ni`S4'Fe2(CO)6] Radical
Cluster: Implications for the Active Site of the [NiFe] Hydrogenases. Chemistry A European Journal, 10(14), 3384-3396.
2. MCMASTER,J., PORTIUS,P., BALL,G.E., ROURKE,J.P and GEORGE,M.W., 2006.
Density functional theoretical studies of the Re-Xe bonds in Re(Cp)(CO)(PF3)Xe
and Re(Cp)(CO)2Xe. Organometallics, 25(22), 5242-5248.
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3. PERRA,A., DAVIES,E.S., HYDE,J.R., QIANG,W., MCMASTER,J. and
SCHRODER,M., 2006. Electrocatalytic production of hydrogen by a synthetic
model of [NiFe] hydrogenases. Chemical Communications, 2006(10), 1103-1005.
4. ARNOLD P. L., LIDDLE S.T., MCMASTER J., JONES C., MILLS D.P., 2007 A
lanthanide-gallium complex stabilized by the N-heterocyclic carbene group. J. Am.
Chem. Soc. 129 (17), 5360-5361.
MOKAYA, R.
1. XIA, Y. , MOKAYA, R. 2003. Highly Ordered Mesoporous Silicon Oxynitride
Materials as Base Catalysts. Angewandte Chemie International Edition, 42 (23),
pp. 2639-2644.
2. XIA, Y. D. and MOKAYA, R., 2004. Ordered Mesoporous Carbon Hollow Spheres
Nanocast Using Mesoporous Silica via Chemical Vapor Deposition. Advanced
Materials, 16 (11), pp. 886-891.
3. XIA, Y., WANG, W. and MOKAYA, R., 2005. Bifunctional hybrid mesoporous
organoaluminosilicates with molecularly ordered ethylene groups. Journal of the
American Chemical Society, 127 (2), pp. 790-798.
4. YANG, Z, XIA, Y and MOKAYA, R., 2007. Enhanced hydrogen storage capacity
of high surface area zeolite-like carbon materials. Journal of the American
Chemical Society, 129 (6), pp. 1673-1679.
MOODY, C. J.
1. HUGHES, R. A., THOMPSON, S. P., ALCARAZ, L. and MOODY, C. J., 2005. Total
Synthesis of the Thiopeptide Antibiotic Amythiamicin D. Journal of the American
Chemical Society, 127, 15644-15651.
2. MOODY, C. J., 2004. Addition reactions of ROPHy/SOPHy oxime ethers:
asymmetric synthesis of nitrogen containing compounds. Chemical
Communications, 2004, 1341-1351.
3. PROISY, NICOLAS, SHARP, SWEE Y, BOXALL, KATHY, CONNELLY, STEPHEN,
ROE, S MARK, PRODROMOU, CHRISOSTOMOS, SLAWIN, ALEXANDRA M Z, PEARL,
LAURENCE H, WORKMAN, PAUL and MOODY, CHRISTOPHER J, 2006. Inhibition of
hsp90 with synthetic macrolactones: synthesis and structural and biological
evaluation of ring and conformational analogs of radicicol. Chemistry & Biology,
13, 1203-15.
4. PITTS, M. R., HARRISON, J. R. and MOODY, C. J., 2001. Indium metal as a
reducing agent in organic synthesis. J. Chem. Soc., Perkin 1, 955-977.
MOSES, J. E.
1. Total Synthesis of the Epoxyquinol Dimer (+)-Panepophenanthrin: Application
of a Diasterospecific Biomimetic Diels-Alder Dimerisation Cascade, Laurent
Commeiras, John E. Moses*, Robert M. Adlington, Jack E. Baldwin, Andrew R.
Cowley, Christopher M. Baker, Birgit Albrecht, and Guy H. Grant, Tetrahedron,
2006, 62, 9892.
2. The total synthesis of spectinabilin and its biomimetic conversion to SNF4435 C
and D, Mikkel F. Jacobsen, John E. Moses, Robert M. Adlington and Jack E.
Baldwin, Org. Lett. 2005, 7(12), 2473.
10
3. Stabilisation of G-Quadruplex DNA by Highly Specific Ligands via Click
Chemistry, Adam D. Moorhouse, Ana Mafalda Santos, Mekala Gunaratnam,
Stephen Neidle*, and John E. Moses*, J. Am. Chem. Soc. 2006, 128, 15972.
4. Efficient Conversion of Aromatic Amines into Azides: A One-Pot Synthesis of
Triazole Linkages, Karine Barral, Adam D. Moorhouse and John E. Moses*, Org.
Lett., 2007, 9, 1809.
OLDHAM, N. J.
1. COCKMAN, M.E., LANCASTER, D.E., STOLZE, I.P., HEWITSON, K.S.,
MCDONOUGH, M.A., COLEMAN, M.L., COLES, C.H., YU, X., HAY, R.T., LEY, S.C.,
PUGH, C., OLDHAM, N.J., MASSON, N., SCHOFIELD, C.J. and RATCLIFFE, P.J.,
2006. Posttranslational hydroxylation of ankyrin repeats in IkappaB proteins by
the hypoxia-inducible factor (HIF) asparaginyl hydroxylase, factor inhibiting HIF
(FIH). Proceedings of the National Academy of Sciences of the United States of
America, 103(40), 14767-72.
2. LIENARD, B.M.R., SELEVSEK, N., OLDHAM, N.J. and SCHOFIELD, C.J., 2007.
Combined Mass Spectrometry and Dynamic Chemistry Approach to Identify
Metalloenzyme Inhibitors. ChemMedChem, 2(2), 175-179.
3. WELFORD, R.W.D., KIRKPATRICK, J.M., McNEILL, L.A., OLDHAM, N.J., and
SCHOFIELD, C.J. 2005. Incorporation of oxygen into the succinate co-product of
iron(II) and 2-oxoglutarate dependent oxygenases from bacteria, plants and
humans. FEBS Letters, 579 (23): 5170-5174.
4. MCNEILL, L.A., FLASHMAN, E., BUCK, M.R.G., HEWITSON, K.S., CLIFTON, I.J.,
JESCHKE, G., CLARIDGE, T.D.W., EHRISMANN, D., OLDHAM, N.J. and
SCHOFIELD, C.J., 2005. Hypoxia-inducible factor prolyl hydroxylase 2 has high
affinity for ferrous iron and 2-oxoglutarate. Molecular Biosystems, 1(4), 321-324.
POLIAKOFF, M.
1. KE, J., HAN, B., GEORGE, M. W., YAN, H. and POLIAKOFF, M., 2001. How
Does the Critical Point Change during a Chemical Reaction in Supercritical Fluids?
A Study of the Hydroformylation of Propene in Supercritical CO2. Journal of the
American Chemical Society, 123(16), 3661-3670.
2. LICENCE, P., KE, J., SOKOLOVA, M., ROSS, S. K. and POLIAKOFF, M., 2003.
Chemical reactions in supercritical carbon dioxide: from laboratory to commercial
plant. Green Chemistry, 5(2), 99-104.
3. FRAGA-DUBREUIL, J., GARCIA-VERDUGO, E., HAMLEY, P. A. VAQUERO, E. M.,
DUDD, L. M., PEARSON, I., HOUSLEY, D., PARTENHEIMER, W., THOMAS, W. B.,
WHISTON, K., POLIAKOFF, M. Catalytic Selective Partial Oxidations using O2 in
Supercritical H2O: The Continuous Synthesis of Carboxylic Acids Green
Chemistry, in the press
4. CHILDS, G. I., COOPER, A. I., NOLAN, T. F., CARROTT, M. J., GEORGE, M. W.
and POLIAKOFF, M., 2001. A New Approach To Studying the Mechanism of
Catalytic Reactions: An Investigation into the Photocatalytic Hydrogenation of
Norbornadiene and Dimethylfumarate Using Polyethylene Matrices at Low
Temperature and High Pressure. Journal of the American Chemical Society,
123(28), 6857-6866.
POWIS, I.
11
1. Powis, I. (in press 2007). “Photoelectron Circular Dichroism in Chiral
Molecules” in Advances in Chemical Physics vol. 138. ed. J. C. Light. New York,
Wiley.
2. Nahon, L., G. A. Garcia, C. J. Harding, E. A. Mikajlo and I. Powis (2006).
"Determination of chiral asymmetries in the valence photoionization of camphor
enantiomers by photoelectron imaging using tunable circularly polarized light."
Journal of Chemical Physics 125: 114309.
3. Powis, I., E. E. Rennie, U. Hergenhahn, O. Kugeler and R. Bussy-Socrate
(2003). "Investigation of the Gas-Phase Amino Acid Alanine by Synchrotron
Radiation Photoelectron Spectroscopy." Journal of Physical Chemistry A 107(1):
25-34.
4. Hergenhahn, U., E. E. Rennie, O. Kugeler, S. Marburger, T. Lischke, I. Powis
and G. Garcia (2004). "Photoelectron circular dichroism in core level ionization of
randomly oriented pure enantiomers of the chiral molecule camphor." Journal of
Chemical Physics 120(10): 4553-4556.
REID, K. L.
1. BELLM, S. M., REID, K. L., 2003. Reevaluation of the Use of Photoelectron
Angular Distributions as a Probe of Dynamical Processes: Strong Dependence of
Such Distributions from S1 Paradifluorobenzene on Photoelectron Kinetic Energy.
Physical Review Letters, 91(26), 263002.
2. KING, A. K., BELLM, S. M., HAMMOND, C. J., REID, K. L., TOWRIE,
M. and MATOUSEK, P., 2005. Picosecond time-resolved photoelectron
spectroscopy as a means of elucidating mechanisms of intramolecular vibrational
energy redistribution in electronically excited states of small aromatic molecules.
Molecular Physics, 103(13), 1821-1828.
3. HAMMOND,C.J., REID,K.L. and RONAYNE,K.L., 2006. Observation of a simple
vibrational wavepacket in a polyatomic molecule via time-resolved photoelectron
velocity-map imaging: A prototype for time-resolved IVR studies. Journal of
Chemical Physics, 124, 201102.
4. BELLM, S. M. and REID, K. L., 2004. Evaluation of the use of photoelectron
imaging in obtaining photoelectron spectra and angular distributions: comparison
with the field-free time-of-flight method. Chemical Physics Letters, 395(4-6),
253-258.
SARRE, P.
1. SARRE, P., 2006. The diffuse interstellar bands: A major problem in
astronomical spectroscopy. Journal of Molecular Spectroscopy, 238(1), pp.1-10.
2. KENDALL, T., MAURON, N., MCCOMBIE, J., SARRE, P., 2002. VLT/UVES and
WHT/UES absorption spectroscopy of the circumstellar envelope of IRC +10216
using background stars. First results and a search for DIBs. Astronomy and
Astrophysics, 387(2), pp.624-634.
3. CORDINER, M., FOSSEY, S., SMITH, A., SARRE, P., 2006. Small-scale-structure
of the interstellar medium probed through diffuse band observations. Faraday
Discussions, 133, pp.403-413.
4. SONG, I., KERR, T., MCCOMBIE, J., SARRE, P., 2003. Evolution of the 3.3
micron emission feature in the Red Rectangle. Monthly Notices of the Royal
Astronomical Society, 346(1), pp.L1-L5.
12
SCHRODER, M.
1. LIN, X., JIA, J., ZHAO, X., THOMAS, K.M., BLAKE, A.J., WALKER, G.S.,
CHAMPNESS, N.R., HUBBERSTEY, P. and SCHRöDER, M., 2006. High H2
adsorption by coordination-framework materials. Angewandte Chemie
International Edition, 45(44), 7358-7364.
2. SHAW, J. L., WOLOWSKA, J., COLLISON, D., HOWARD, J. A. K., MCINNES, E.
J. L., MCMASTER, J., BLAKE, A. J., WILSON, C. and SCHRODER, M., 2006. Redox
Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures
of Mononuclear Complexes of Gold(II) and Silver(II). Journal of the American
Chemical Society, 128(42), 13827-13839.
3. ZHU, W., MARR, A. C., WANG, Q., NEESE, F., SPENCER, D. J. E., BLAKE, A. J.,
COOKE, P. A., WILSON, C. and SCHRODER, M., 2005. Modulation of the electronic
structure and the Ni-Fe distance in heterobimetallic models for the active site in
[NiFe]hydrogenase. Proceedings of the National Academy of Sciences of the
United States of America, 102(51), 18280-18285.
4. HILL, R.J., LONG, D.L., CHAMPNESS, N.R., HUBBERSTEY, P. and SCHRODER,
M., 2005. New Approaches to the Analysis of High Connectivity Materials: Design
Frameworks Based upon 44- and 63-Subnet Tectons. Accounts of Chemical
Research, 38(4), 335-348.
SEARLE, M. S.
1. Ciani, B., Jourdan, M., Searle, M. S., Stabilisation of β-hairpin peptides by salt
bridges: role of pre-organisation on the energetic contribution of weak
interactions. (2003) J. Am. Chem. Soc., 125, 9038-9047.
2. Ciani, B., Cavey, J. R., Sheppard, P. W., Layfield, R., Searle, M. S. Structure
of the UBA domain of p62(SQSTM1) and implications for mutations which cause
Paget's disease of bone. (2003) J. Biol. Chem., 278, 37409-37412.
3. Bofill, R., Simpson, E. R., Crespo, M. D., Platt, G. W., Searle, M. S.
Extending the folding nucleus of ubiquitin with an independently folding β-hairpin
finger: hurdles to rapid folding arising from the stabilisation of local interactions
(2005) J. Mol. Biol. 349, 205-221.
4. Gavathiotis, E., Heald, R. A., Stevens, M. F. G., Searle, M. S. Recognition
and stabilisation of quadruplex DNA by a potent new telomerase inhibitor: NMR
studies of the 2:1 complex of a polycyclic methylacridinium cation with
d(TTAGGGT)4. (2001) Angew. Chemie, 40, 4749-4751.
VAN SLAGEREN, J
1. J. van Slageren, R. Sessoli, D. Gatteschi, A.A. Smith, M. Helliwell, R.E.P.
Winpenny, A. Cornia, A.-L. Barra, A.G.M. Jansen, E. Rentschler, G.A. Timco
"Magnetic Anisotropy of the Antiferromagnetic Ring [Cr8F8Piv16]" Chem. Eur. J., 8,
277 – 285 (2002).
2. G. Rogez, J.-N. Rebilly, A.-L. Barra, L. Sorace, N. Kirchner, M. Duran, J. van
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1876 – 1879 (2005).
3. K. Ray, A. Begum, T. Weyhermüller, S. Piligkos, J. van Slageren, F. Neese, K.
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13
Complexes [FeII(L)2]2– and [CoIII(LBu)2]– (L2– and (LBu)2– = benzene-1,2dithiolates): an Experimental and Density Functional Theoretical Study" J. Am.
Chem. Soc., 127, 4403 – 4415 (2005).
4. F. El Hallak, J. van Slageren, J. Gómez-Segura, D. Ruiz-Molina, M. Dressel,
"High-frequency ESR and frequency domain magnetic resonance spectroscopic
studies of single molecule magnets in frozen solution" Phys. Rev. B, 75, 104403
(2007)
SOULTANAS, P.
1. THIRLWAY, J., TURNER, I. J., GIBSON, C. T., GARDINER, L., BRADY, K.,
ALLEN, S., ROBERTS, C. J., SOULTANAS, P., 2004. DnaG interacts with a linker
region that joins the N- and C-domains of DnaB and induces the formation of 3fold symmetric rings. Nucleic Acids Research, 32(10), 2977-2986.
2. SYSON, K., THIRLWAY, J., HOUNSLOW, A. M., SOULTANAS, P. and WALTHO, J.
P., 2005. Solution Structure of the Helicase-Interaction Domain of the Primase
DnaG. Structure, 13(4), 609-616.
3. ZHANG, W., CARNEIRO, M. J., TURNER, I. J., ALLEN, S., ROBERTS, C. J. and
SOULTANAS, P., 2005. The Bacillus subtilis DnaD and DnaB Proteins Exhibit
Different DNA Remodelling Activities. Journal of Molecular Biology, 351(1), 66-75.
4. HARONITI, A., ANDERSON, C., DODDRIDGE, Z., GARDINER, L., ROBERTS, C.
J., ALLEN, S. and SOULTANAS, P., 2004. The Clamp-loader-Helicase Interaction in
Bacillus. Atomic Force Microscopy Reveals the Structural Organisation of the
DnaB-t Complex in Bacillus. Journal of Molecular Biology, 336(2), 381-393.
STACE, A. J.
1. PUSKAR, L., TOMLINS, K., DUNCOMBE, B., COX, H., STACE, A. J., 2005. What
Is Required to Stabilize Al3+? A Gas-Phase Perspective. Journal of the American
Chemical Society, 127(20), 7559-7569.
2. STACE, A. J., 2002. Metal Ion Solvation in the Gas Phase: The Quest for Higher
Oxidation States. Journal of Physical Chemistry A, 106(35), 7993-8005.
3. BOATWRIGHT, A., BESLEY, N. A., CURTIS, S., WRIGHT, R. R. and STACE, A. J.,
2005. A systematic shift in the electronic spectra of substituted benzene
molecules trapped in helium nanodroplets. Journal of Chemical Physics, 123(2),
21102-04.
4. PUSKAR, L., COX, H., GOREN, A., AITKEN, G. D. C. and STACE, A. J., 2003.
Ligand field spectroscopy of Cu(II) and Ag(II) complexes in the gas phase: theory
and experiment. Faraday Discussions, 124, 259-274.
STOCKMAN, R.
1. M. S. Karatholuvhu, A. Sinclair, A. F. Newton, M-L. Alcaraz, R. A. Stockman,
and P. L. Fuchs, A concise total synthesis of dl-histrionicotoxin. J. Am. Chem.
Soc., 2006, 128, 12656-12657.
2. D. Morton, D. Pearson, R.A. Field, R.A. Stockman, A Convenient Synthesis of
Chiral Nonracemic Vinyl Aziridines., Org. Lett., 2004, 6, 2377-2380.
3. M. Rejzek, R.A. Stockman and D.L. Hughes, Combining two-directional
synthesis and tandem reactions: an efficient strategy for the total syntheses of of
(±)-hippodamine and (±)-epi-hippodamine. Org. Biomo. Chem., 2005, 3, 73-83.
14
4. M. Rejzek, R.A. Stockman, J.H. van Maarseveen and D.L. Hughes, Combining
two-directional synthesis and tandem reactions: desymmetrisation by
intramolecular cycloaddition / triazoline fragmentation. Chem. Commun. 2005,
4661-4662.
THOMAS, N. R.
1. CREN, S., GURCHA, S. S., BLAKE, A. J., BESRA, G. S. and THOMAS, N. R.,
2004. Synthesis and biological evaluation of new inhibitors of UDP-Galf
transferase-a key enzyme in M. tuberculosis cell wall biosynthesis. Organic and
Biomolecular Chemistry, 2(17), 2418-2420.
2. Nikolaos Kouvatsos, Victoria Thurston, Kathryn Ball, Neil J. Oldham, Neil R.
Thomas and Mark S. Searle, 2007, Bile Acid Interactions with Rabbit Ileal Lipid
Binding Protein and an Engineered Helixless Variant Reveal Novel Ligand Binding
Properties of a Versatile β-Clam Shell Protein Scaffold, Journal of Molecular
Biology, 2007, In press.
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LOUGHNA, S., ROBINSON, T.E., DEARLOVE, A.M., RIBAS, G., BONSER, A.J.,
THOMAS, N.R., SCOTTER, A.J., CAVES, L.S.D., TYRRELL, G.P., NEWBURY-ECOB,
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4. Homogeneous Biocatalysis in both Fluorous Biphasic and Supercritical Carbon
dioxide systems, Helen R. Hobbs, Helen M. Kirke, Martyn Poliakoff and Neil R.
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1. HEINDRICHS, A. S., GEEN, H., GIORDANI, C., TITMAN, J. J., 2001. Improved
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335(1-2), 89-96.
2. SHAO, L., CROCKFORD, C., GEEN, H., GRASSO, G. and TITMAN, J. J., 2004.
Chemical shift anisotropy amplification. Journal of Magnetic Resonance, 167(1),
75-86.
3. GRASSO, G., DE SWIET, T. M. and TITMAN, J. J., 2002. Electronic Structure of
the Polymer Phase of CsC60: Refocused INADEQUATE Experiments. Journal of
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4. AGARWAL, G. K., TITMAN, J. J., PERCY, M. J. and ARMES, S. P., 2003.
Characterization of Vinyl Polymer/Silica Colloidal Nanocomposites Using Solid
State NMR Spectroscopy: Probing the Interaction between the Inorganic and
Organic Phases on the Molecular Level. JOURNAL OF PHYSICAL CHEMISTRY B,
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WHEATLEY, R.
1. Tulegenov, A. S., Wheatley, R. J., Hodges, M. P., Harvey, A. H., 2007.
Intermolecular potential and second virial coefficient of the water-nitrogen
complex. Journal of Chemical Physics, 126 (9): 094305.
15
2 Wheatley, R. J., 2007. Time-dependent coupled-cluster calculations of
polarizabilities and dispersion energy coefficients. Journal of Computational
Chemistry in press.
3. Domene, C., Fowler, P. W., Wilson, M., Madden, P., Wheatley, R. J., 2001.
Overlap-model and ab initio cluster calculations of ion properties in distorted
environments. Chemical Physics Letters, 333 (5): 403-412.
4. Wheatley, R. J., 2005. Inverse power potentials: Virial coefficients and a
general equation of state. Journal Of Physical Chemistry B, 109 (15): 7463-7467.
WOODWARD, S.
1. Remarkably Stable (Me3Al)2·DABCO and Stereoselective Nickel-Catalysed AlR3
(R = Me, Et) Additions to Aldehydes, K. Biswas, O. Prieto, P. Goldsmith and S.
Woodward. Angew. Chem., Int. Ed. 2005, 44, 2232-2234.
2. Enantioselective preparation of β,β-Disubstituted-α-methylenepropionates by
MAO promotion of the zinc Schlenk equilibrium, P. Goldsmith and S. Woodward,
Angew. Chem., Int. Ed. 2005, 44, 2235-2237.
3. Highly enantioselective copper(I)-phosphoramidite-catalysed additions of
organoaluminum reagents to enones, A. Alexakis, V. Albrow, K. Biswas, M.
d’Augustin, O. Prieto, S. Woodward, Chem. Commun. 2005, 2843-2845.
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by a Designed Catalyst, P. K. Fraser and S. Woodward, Chem. Eur. J., 2003, 9,
776-783.
WRIGHT, T.
1. MUSGRAVE, A., BERGERON, D. E., WHEATLEY, R. J. and WRIGHT, T. G., 2005.
Electronic spectroscopy of the deuterated isotopomers of the NO-methane
molecular complex (17 pages). Journal of Chemical Physics, 123(20), 204305.
2. BERGERON, D. E., MUSGRAVE, A., GAMMON, R. T., AYLES, V. L., SILBER, J. A.
E., WRIGHT, T. G., WEN, B. and MEYER, H., 2006. Electronic spectroscopy of the
3d Rydberg states of NO-Rg (Rg=Ne,Ar,Kr,Xe) van der Waals complexes (10
pages). Journal of Chemical Physics, 124(21), 214302.
3. VIEHLAND, L. A., WEBB, R., LEE, E. P. F. and WRIGHT, T. G., 2005. Accurate
potential energy curves for HeO-, NeO-, and ArO-: Spectroscopy and transport
coefficients (8 pages). Journal of Chemical Physics, 122(11), 114302.
4. BERGERON, D.E., MUSGRAVE, A., , AYLES, V.L., GAMMON, R.T., SILBER,
J.A.E., WRIGHT, T.G., 2006. Electronic spectroscopy of NO-(Rg)(x)
complexes (Rg=Ne,Ar) via the 4s and 3d Rydberg states Journal of
Chemical Physics, 124, 144319.
16
Appendix Two: Data from the RSC Macrocyclic and
Supramolecular Chemistry Group
Sources of Evidence for EPSRC Shaping Capability Exercise
Supramolecular Chemistry
Part A. Science Quality and Excellence:
The supramolecular chemistry community within the UK is vibrant with international
excellence in a number of core areas, including:
Interlocked structures and molecular machines
Supramolecular sensors and probes
Self-assembled systems, nanocapsules and rings
Supramolecular systems as biological mimetics
Quantitative analysis of supramolecular interactions
Supramolecular gel-phase materials
Supramolecular dendrimers and oligomers
Surface supramolecular assembly
Evidence of excellence: Outputs
Selected outputs of current activity (2010 and 2011 papers in top-ranking journals, UK
supramolecular chemistry group leaders underlined.)
Operation Mechanism of a Molecular Machine Revealed Using Time-Resolved Vibrational
Spectroscopy
M.R. Panman, P. Bodis, D.J. Shaw, B.H. Bakker, A.C. Newton, E.R. Kay, A.M. Brouwer, W.J.
Buma, D.A. Leigh, S. Woutersen
Science, 2010, 328, 1255.
Vernier templating and synthesis of a 12-porphyrin nanoring
M.C. O’Sullivan, J.K. Sprafke, D.V. Kondratuk, C. Rinfray, T.D.W. Claridge, A. Saywell, M.O.
Blunt, J.N. O’Shea, P.H. Beton, M. Malfois, H.L. Anderson
Nature, 2011, 469, 72
Guest-induced growth of a surface-based supramolecular bilayer
M.O. Blunt, J.C. Russell, M.D. Gimenez-Lopez, N. Taleb, X.L. Lin, M. Schroder, N.R.
Champness, P.H. Beton
Nature Chem., 2011, 3, 74
Cascading transformations within a dynamic self-assembled system
V.E. Campbell, X. de Hatten, N. Delsuc, B. Kauffmann, I. Huc, J.R. Nitschke
Nature Chem., 2010, 2, 684
Anion-switchable supramolecular gels for controlling pharmaceutical crystal growth
J.A. Foster, M.-O.M. Piepenbrock, G.O. Lloyd, N. Clarke, J.A.K. Howard, J.W. Steed
Nature Chem., 2010, 2, 1037
Core@shell bimetallic nanoparticle synthesis via anion coordination
17
C.J. Serpell, J. Cookson, D. Ozkaya, P.D. Beer
Nature Chem., 2011, 3, 478
Metal-organic calixarene nanotubes
S. Kennedy, G. Karotsis, C. M. Beavers, S. J. Teat, E. K. Brechin, S.J. Dalgarno
Angew. Chem. Int. Ed., 2010, 49, 4205.
Self-Assembling Ligands for Nanoscale Multivalent Heparin Binding
A.C. Rodrigo, A. Barnard, J. Cooper and D.K. Smith
Angew. Chem. Int. Ed., 2011, 50, 4675-4679.
Shrinking the Wheel: “Small” Rotaxanes using the CuAAC active template approach
H. Lahali, K. Jobe, M. Watkinson and S.M. Goldup
Angew. Chem. Int. Ed., 2011, 50, 4151-4155.
Definition of the uptake mechanism and sub-cellular localisation profile of emissive
lanthanide complexes as cellular optical probes
E.J. New, A. Congreve, D. Parker
Chem. Sci. 2010, 1, 111
Structure-activity relationships in tripodal anion transporters: the effect of
fluorination
N. Busschaert, M. Wenzel, M.E. Light, P. Iglesias-Hernández, R. Pérez-Tomás and P.A.
Gale
J. Am. Chem. Soc., 2011, 133, 14136
Formation of Purely Heterometallic Lanthanide(III) Macrocycles Through Controlled
Assembly of Disulfide Bonds
D.J. Lewis, P.B. Glover, M.C. Solomon, Z. Pikramenou
J. Am. Chem. Soc., 2011, 133, 1033
Electrochemical Method for the Determination of Enantiomeric Excess of Binol Using RedoxActive Boronic Acids as Chiral Sensors
G. Mirri, S.D. Bull, P.N. Horton, T.D. James, L. Male, J.H.R. Tucker
J. Am. Chem. Soc., 2010, 132, 8903.
Elucidating the formation pathways of Donor-Acceptor catenanes in aqueous dynamic
combinatorial libraries
F.B.L. Cougnon, H.Y. Au-Yeung, G.D. Pantos¸ and J.K.M. Sanders
J. Am. Chem. Soc., 2011, 133, 3198.
Contact mechanics of nanometer-scale molecular contacts: correlation between adhesion,
friction, and hydrogen bond thermodynamics
K. Busuttil, M. Geoghegan, C.A. Hunter, G.J. Leggetet
J. Am. Chem. Soc., 2011, 133, 8625
Diaxial diureido decalins as compact, efficient, and tunable anion transporters
S. Hussain, P. R. Brotherhood, L.W. Judd, A.P. Davis
J. Am. Chem. Soc., 2011, 133, 1614
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Structures and dynamic behaviour of large polyhedral coordination cages: an unusual cageto-cage interconversion
A. Stephenson, S.P. Argent, T, Riis-Johannessen, I.S. Tidmarsh, M.D. Ward
J. Am. Chem. Soc., 2011, 133, 858-870.
Evidence of excellence: Esteem
•
Fellows of the Royal Society
David Leigh (2009)
Chris Hunter (2008)
Andrew Hamilton (2004)
David Parker (2002)
Jeremy Sanders (1995)
In 2009, J.K.M. Sanders was awarded the Davy Medal by The Royal Society “for his
pioneering
contributions to several fields, most recently to the field of dynamic
combinatorial chemistry
at the forefront of supramolecular chemistry”
•
RSC Awards (last 10 years)
RSC Tilden Medal/lectureship:
D.A. Leigh (2010), C.A. Hunter (2009), Paul Beer (2006), D. Parker (2004), A.P.
Davis (2003), P.A. Tasker (2003), M. Schroder (2002)
Corday-Morgan Medal and Prize:
M.J. Hardie (2011), J.R. Nitschke (2011), J.W. Steed (2010), S. Faulkner (2008), N.R.
Champness (2006), P.A. Gale (2005), H.L. Anderson (2001)
Harrison-Meldola Prize:
S.J. Dalgarno (2010)
Chemical Communications Emerging Investigator Lectureship:
S.J. Dalgarno (2011)
•
International Recognition - the Izatt-Christensen Award:
A.D. Hamilton (2011), D.A. Leigh (2007), J.K.M. Sanders (2003)
•
EPSRC Leadership Fellowships:
J.H.R. Tucker (2008), R. Vilar (2009), J.R. Nitschke (2010)
•
EPSRC Senior Research Fellowships
C.A. Hunter (2005), D.A. Leigh (2005)
Evidence of excellence: Editorships of Internationally Leading Journals:
Of the three RSC Flagship journals (Chemical Communications, Chemical Science and
Chemical Society Reviews) all have supramolecular chemistry editors based in the UK
(Jonathan Steed, David Leigh and Phil Gale respectively). Mike Ward is currently Chair of the
Editorial Board of RSC Advances and Jonathan Steed is also on the Editorial Advisory Panel for
Nature Communications.
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Evidence of excellence: International Review of Chemistry (2009)
Supramolecular Chemistry in the UK was highlighted as “World Class, and sometimes World
Leading” in the 2009 International Review of Chemistry. Another quotation from that
document: “Without doubt the UK excels in the relative new field of supramolecular
chemistry.”
Part B Investment in Supramolecular Chemistry
EPSRC funding and other UK funding agency initiatives
The UK supramolecular chemistry community has been continually supported with
responsive mode EPSRC grants and has also been successful in joint initiatives involving
EPSRC and other bodies (e.g. NSF). Highlights of recent EPSRC and other UK funding agency
initiatives used by the community to apply supramolecular science include:
D.A. Leigh (Edinburgh) and C.A. Hunter (Sheffield) - EPSRC Physical Sciences Programme
Grant: ‘Organic Supramolecular Chemistry: A Research Programme on Synthetic Molecular
Motors and Machines’ £2,676K, 2010-2014.
J.R. Nitschke (Cambridge): EPSRC/NSF Cooperative Grant: ‘International Collaboration in
Chemistry: Aqueous Host-Guest Chemistry with Self-Assembling Metal-templated Cages’,
EPSRC contribution £470k (in collaboration with C. Cramer and L. Gagliardi, Minnesota, USA),
2011-2015.
P.A. Gale (Southampton) - EPSRC/NSF Cooperative Grant: ‘Selective receptors for the
transmembrane transport of bicarbonate anions’, EPSRC contribution £424k (in collaboration
with J.T. Davis, Maryland, USA), 2008-2012.
R. Vilar (Imperial) - EPSRC Cross-disciplinary Research Landscape Award: ‘Next
generation of analytical tools: application to protein oxidation that affect human
health’, £4.6m (David Klug PI, number of co-investigators: 12) from 2011.
M. Halcrow (Leeds) - EPSRC (award under the self-assembly signpost): ‘A spin-crossover
module for monolayers and supramolecular architectures - cooperativity in two dimensions’,
£627K, 2011–2014.
A.P. Davis (Bristol) - EPSRC Pathways to Impact Award: ‘A New Approach to Blood
Glucose Monitoring’, 32K, 2011-2012.
M. Watkinson (QMUL) - EPSRC: ‘Multifunctional Polymer scaffolds for cleaning catalysis’;
major collaboration with Procter and Gamble and other institutions in cold water cleaning
(£772K, QMUL component £220K), from 2010.
H.L. Anderson (Oxford) - DSTL: ‘Synthesis of novel dyes for one-photon and two-photon
absorption and reverse saturable absorption in the NIR’, £60K, 2008–2011.
M.J. Hardie (Leeds) - Technology Strategy Board (TSB): ‘Process Integration and Product
Enhancement Through Crystal Growth Modifiers’, £590K, 2010-2012.
P.R. Raithby (Bath) - EPSRC Grand Challenge: Directed assembly of extended structures with
targeted properties (joint with Makatsoris (Brunel), from 2010.
The Directed Assembly Network vision is to control the assembly of materials with predesigned, targeted properties in ways that are not currently possible. Supramolecular
chemistry is central to this Challenge as the majority of the systems being considered by
Network members involving building up from molecules, to supramolecular assemblies to
bulk materials. The Network has about 600 members within the UK, and comprises
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Chemists, Biologists, Materials Scientists and Physicists. Approximately 200 of the members
are supramolecular chemists or use supramolecular chemistry in their work.
Further Grand Challenge information: see http://beyondthemolecule.org.uk/d6/
EU funding: The UK supramolecular community chemistry attracts significant support and
recognition from the EU and makes an important contribution to various activities and
initiatives across the continent. Examples of recent EU grants and networks include:
P.D. Beer (Oxford) - ERC Advanced Grant, €2.5m, SUPRAIMAGINGMACHINES, 20112016
D. Parker (Durham) - ERC Advanced Grant, €2.5m, 2011-2016
D.A. Leigh (Edinburgh) - ERC Advanced Grant, €2.5m, Synthetic Walking Molecules, 20082013
J.R. Nitschke (Cambridge, coordinator) - EU Marie Curie ITN grant: ‘DYNAMOL: Dynamic
Molecular Nanostructures’, €3.2M (Cambridge component €833k, 4 years from 11/2010)
H.L. Anderson (Oxford) - EU Marie Curie ITN grant: ‘TOPBIO: Two photon absorbers for
biomedical applications’ (Oxford component: €270,394, 4 years from 10/2010).
Part C Importance and Impact of Supramolecular Chemistry
Industrial Applications of supramolecular chemistry research
OPTI Medical Systems
A major mechanism of fluorescent molecular sensors, the photoinduced electron transfer
(PET) approach, was generalized in Belfast by A. P. DeSilva’s group in the 1980s and was
based on EPSRC funded work. This approach is now used heavily around the world to solve
physiological, medical and environmental problems. In particular, a medical application to
blood electrolyte diagnostics using portable analyzers has generated around 80 million USD
so far for the US company, Roche Diagnostics/Optimedical Inc who took on the technology.
This application of supramolecular sensing helps to save lives everyday around the world (for
more information, see OPTI products at www.optimedical.com).
Glysure
This company has developed a sensor for the continuous monitoring of glucose in blood.
GlySure’s earlier trials in human serum, plasma and whole blood have confirmed that its
sensor can measure glucose levels across the entire human physiological range with an
extremely high degree of accuracy and repeatability. This was validated through in vivo
models. GlySure is currently conducting its first human use ICU trials. T.D. James (Bath,
scientific advisor to Glysure) is a world expert in boronic acid fluorophore chemistry and has
played a pivotal role in this technology in optimising glucose selective indicator chemistry for
continuous measurement in whole blood (for more information, see www.glysure.com).
DegraSense Ltd
This company has been set up to commercialise protease biosensor technology. There are a
range of potential industrial applications for the biosensor technology but the initial focus is
on improving the diagnosis and treatment of periodontal disease, estimated to cost the NHS
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£250 million per year. DegraSense plans to develop a low cost, disposable biosensor that will
enable a dentist to identify areas of active inflammation immediately prior to treatment.
This will allow more efficient targeting of expensive and labour intensive surgical treatment
for patients with periodontitis. The technology is based on patents filed by M. Watkinson
and others (QMUL) over the past couple of years.
FScan
FScan Ltd is focused on the development of commercial applications from its luminescent
lanthanide chemistry technology platform. The company profile is to develop new imaging
technology for use in vitro, in cellulo or in vivo in a fast, efficient and user-friendly manner.
FScan’s core competence is in the development of chemically engineered molecular probes
(modified rare-earth metal complexes) possessing long-lived luminescent fingerprints
exclusively altered upon the detection of specific analytes/markers in a wide array of
biological fluids. The co-founder of the company is D. Parker (Durham) (for more
information, see www.fscanltd.com).
Over past 25 years, David Parker has made 43 patent applications with ca. 25 granted;
several subject to licensing and others are being commercialised.
PhD and Postdoc Training
PhD students are vital to supramolecular chemistry research. They are highly trained with
multi-disciplinary and cross-disciplinary skills. A strong and healthy supply of PhD graduates
provides a strong base for subsequent postdoctoral and then academic expertise as well as
industrial expertise. In many groups, approximately 50% of PhDs go on to postdoctoral
positions and many graduates go on to develop careers in the chemical and healthcare
industries, either directly or after one or two postdoctoral positions. Examples of graduate
recent destinations from UK supramolecular chemistry groups (including both large
companies and SMEs) are: Johnson Matthey, Almac Sciences, Shell, Kodak, BP, GSK, BNFL,
AWE, Unilever, DSTL, GE Healthcare, Randox Laboratories, Akzo-Nobel, P&G, AZ, Sashun,
Ranbaxy, Oxonica, BASF, Kilfrost and Regent Medical. Patent work, scientific publishing and
scientific consultancy are other areas that employ supramolecular chemistry PhDs.
Legacy of Supramolecular Chemistry
There is no doubt that controlling how molecules interact with one another lies at the heart
of nanoscience and technology, which will underpin developments in industry for decades to
come. The interdisciplinary field of supramolecular chemistry is at the very centre of this
science. It encompasses many of the EPSRC ‘challenging themes’ and RSC priority areas
including, in particular, energy and healthcare technologies. Chemists with the correct
synthetic skills can be embedded in key roles within interdisciplinary projects with physicists,
biologists and medics. It is vital that the UK continues to invest in the synthetic heart of
chemistry which includes supramolecular chemistry, as without new chemical and chemobiological structures, and new ways of enabling such systems to interact in selective ways on
the molecular scale, the nanofabrication of advanced materials and medicines cannot
efficiently take place.
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