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Full Publication List

All 74 publications from Prof Anna K Croft and the Disruptive Chemistries group, listed newest first. See also OrcID or Google Scholar.

  1. 74 “An Acrylic Polymer”, F. L. Hatton, A. K. Croft, C. D. Prajapati, O. J. Harris, UK Patent Application Number GB2610567.6.
  2. 73 Preface to ‘Ionic liquids and the future of soft materials’, A. P. Brogan, A. K. Croft and E. E. L. Tanner, Philos Trans A Math Phys Eng Sci (2026) 384 (2316): 20240320, doi:10.1098/rsta.2024.0320
  3. 72 “A case study on hybrid machine learning and quantum-informed modelling for solubility prediction of drug compounds in organic solvents”, W. Wang, I. Cooley, M. R. Alexander, R. D. Wildman, A. K. Croft, B. F. Johnston, Digital Discovery, 2026, 5 (2): 716–733, doi:10.1039/d5dd00456j
  4. 71 “Deep Eutectic Solvents for Protein Extraction: Mechanisms, Performance, and Green Metrics”, J. C. J. Wong, I. Khoiroh, S. Gan, A. K. Croft, J. Mol. Liquids, 2025, 128636.
  5. 70 “Predictive approaches for 3D-printing: Methods and approaches for polymeric materials”, I. Cooley, W. Wang, V. Kozyrev, R. D. Wildman, B. F. Johnston, A. K. Croft, WIRES, 2025, 15 (5), e70048.
  6. 69 “High resolution 3D printed biocatalytic reactor core with optimized efficiency for continuous flow synthesis”, S. J. Attwood; D. Leech; Y. He; A. K. Croft; R. J. M. Hague; D. J. Irvine; R. D. Wildman; A. Pordea, Chemical Engineering Science, 2024, 305, 121156, doi:10.1016/j.ces.2024.121156
  7. 68 “Optimisation of Additively Manufactured Coiled Flow Inverters for Continuous Viral Inactivation Processes”, M. C. Barrera, D. Leech, A. Josifovic, A. Tolouei, G. Alford, M. J. Wallace, N. Bennett, R. Wildman, D. J. Irvine, A. Croft, E. Özcan, A. Florence, B. Johnston, J. Robertson, C. J. Brown, Chemical Engineering Research and Design, 2024, 213, 126-136, doi:10.1016/j.cherd.2024.11.040
  8. 67 “Ion-combination specific effects driving enzymatic activity of halophilic Alcohol Dehydrogenase 2 from Haloferax volcanii in aqueous ionic liquid solvent mixtures”, A. Schindl, M. L. Hagen, I. Cooley, C. M. Jäger, A. C. Warden, M. Zelzer, T. Allers, A. K. Croft, RSC Sustainability, 2024, 2 (9), 2559-2580, doi:10.1039/d3su00412k
  9. 66 “Alkali and alkaline earth metals in liquid salts for supercapatteries”, Q. Guo, P Fan, Y. Zhang, L. Guan, H. Wang, A. K. Croft, G. Z. Chen, RSC Sustainability, 2024, 2 (1), 101-124, doi:10.1039/D3SU00197K
  10. 65 “The adaptability of the ion binding site by the Ag (I)/Cu (I) periplasmic chaperone SilF”, R. M. Lithgo, M. Hanzevacki, G. Harris, J. J. A. G. Kamps, E. Holden, J. L. P. Benesch, C. M. Jäger, A. K. Croft, J. L. Hobman, A. M. Orville, A. Quigley, S. B. Carr, D. J. Scott, J. Biol. Chem., 2023, 299(11), 105331, doi: 10.1016/j.jbc.2023.105331
  11. 64 “Application of a Synthetic Ferredoxin-Inspired [4Fe4S]-Peptide Maquette as the Redox Partner for a [FeFe]-Hydrogenase”, A. Bombana, M. Shanmugam, D. Collison, A. J. Kibler, G. N. Newton, C. M. Jager, A. K. Croft, S. K. Morra, N. Mitchell, 2023, ChemBioChem 24 (18), e202300250, 2023, doi:10.1002/cbic.202300250
  12. 63 “A Novel 2,5-FDCA Biosynthesis Pathway”, S. Bryan, A. v. Conradie, A. K. Croft, A. Pordea, P. Reitzer, E. Spence, UK Patent Application Number 2217116.9
  13. 62 “If it’s hard, it’s worth doing: Engineering radical enzymes from anaerobes”, C. M. Jäger, A. K. Croft*, Biochemistry, 2022, doi:10.1021/acs.biochem.2c00376, invited.
  14. 61 “The Activation of Glycyl Radical Enzymes – Multiscale Modelling Insights into Catalysis and Radical Control in Pyruvate Formate-Lyase Activating Enzyme”, M. Hanževački, A. K. Croft*, C. M. Jäger*, J. Chem. Inf. Model., 62, 14, 3401–3414, 2022, doi:10.1021/acs.jcim.2c00362
  15. 60 “Recent Advances in Use of Ionic liquids as Solvents for Protein-based Materials and Chemistry”, M. L. Hagen, J. B. Harper*, A. K. Croft*, Curr. Opinion. Green Sus. Chem., 36, 100637, 2022, doi: 10.1016/j.cogsc.2022.100637, invited.
  16. 59 “Engineered mutants and approaches for biosynthetic biotin production”, H. Arthurs, A. v. Conradie, A. K. Croft, C. M. Jäger, C. C. Paiva, UK Patent Application No. 2203725.3.
  17. 58 “Perspective — Redox Ionic Liquid Electrolytes for Supercapattery”, L. Guan, G. Z. Chen, A. K. Croft, D. M. Grant, J. Electrochem. Soc., 169 (3), 030529, 2022, doi: 10.1149/1945-7111/ac5ba8
  18. 57 “Effect of Oriented Electric Fields on Biologically Relevant Iron–Sulfur Clusters: Tuning Redox Reactivity for Catalysis”, S. J. H. Gaughan, J. D. Hirst*, A. K. Croft*, C. M. Jäger*, J. Chem. Inf. Model. 62, 591−601, 2022, doi: 10.1021/acs.jcim.1c00791 – Engineering student prize for best paper 2022
  19. 56 “Controlling the outcome of SN2 reactions in ionic liquids: From rational data set design to predictive linear regression models”, A. Schindl, R. R. Hawker, K. S. Schaffarczyk McHale, K. T.-C. Lui, D. C. Morris, A. Y. Hsieh, A. Gilbert, A. W. Prescott, R. S. Haines, A. K. Croft*, J. B. Harper* and C. M. Jäger*, PCCP, 2020, doi: 10.1039/D0CP04224B
  20. 55 “Molecular Dynamics of Mycolic Acid Monolayers”, W. Groenewald, M. Bulacu, A. K. Croft*, S.-J. Marrink, ChemRXiv, 2019, doi: 10.26434/chemrxiv.7881215.v1
  21. 54 “Radical Stabilization Energies for Enzyme Engineering – Tackling the Substrate Scope of the Radical Enzyme QueE”, C. Suess, F. Martins, A. K. Croft*, C. M. Jaeger*, J. Chem. Inf. Model., 59(12), 5111-5125, 2019 doi: 10.1021/acs.jcim.9b00017.
  22. 53 “Proteins in Ionic Liquids: Reactions, Applications, and Futures”, A. Schindl, M. L. Hagen, S. Muzammal, H. A. D. Gunasekera, A. K. Croft*, Front. Chem., 7, 347, 2019, doi: 10.3389/fchem.2019.00347.
  23. 52 “Revealing solvent-dependent folding behavior of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis”, W. Groenewald, R. A. Parra-Cruz, C. M. Jäger*, A. K. Croft*, J. Mol. Modeling, 25(3), 68, 2019, doi: 10.1007/s00894-019-3943-5
  24. 51 “Ion-reagent interactions contributing to ionic liquid solvent effects on a condensation reaction”, S. T. Keaveney, J. B. Harper* and A. K. Croft*, ChemPhysChem, 19(23), 3279-3287 2018, doi: 10.1002/cphc.201800695R1.
  25. 50 “Anaerobic radical enzymes for biotechnology”, C. M. Jäger, A. K. Croft, ChemBioEng Reviews, 5(3), 1-21, 2018, doi: 10.1002/cben.201800003.
  26. 49 “NOE fitting to improve MD population data - a case study with S-Adenosylmethionine”, Jessica Bame, Casper Hoeck, Matthew J. Carrington, Craig P. Butts, Christof M. Jäger, Anna K. Croft, PCCP, 20, 7523-7531, 2018, doi: 10.1039/c7cp07265a.
  27. 48 “Radical Reaction Control in the AdoMet Radical Enzyme CDG Synthase (QueE): Consolidate, Destabilize, Accelerate”, C. M. Jaeger and A. K. Croft, Chemistry – A European Journal, 953-962, 23(4), 2017, doi: 10.1002/chem.201604719.
  28. 47 “Reactivity of disulfide bonds is markedly affected by structure and environment: implications for protein modification and stability”, M. Karimi, M. Ignasiak, B. Chan, A. K. Croft, L. Radom, C. Schiesser, D. Pattison, and M. J. Davies, Sci. Rep., art: 38572, 6, 2016, doi: 10.1038/srep38572.
  29. 46 “Structural elements of an NRPS cyclization domain and its intermodule docking domain”, D. P. Dowling, Y. Kung, A. K. Croft, K. Taghizadeh, W. L. Kelly, C. T. Walsh, and C. L. Drennan, Proc. Natl. Acad. Sci. U.S.A., 12432-12437, 113, 2016, doi: 10.1073/pnas.1608615113.
  30. 45 “Three dimensional ink-jet printing of biomaterials using ionic liquids and co-solvents”, D. H. A. T. Gunasekera, S. Kuek, D. Hasanaj, Y. He, C. Tuck, A. K. Croft and R. D. Wildman, Faraday Discussions, 509-523, 190, 2016, doi: 10.1039/C5FD00219B.
  31. 44 “Developing Energy Efficient Lignin Biomass Processing – Towards Understanding Mediator Behaviour in Ionic Liquids”, M. Eshtaya, A. Ejigu, G. Stephens, D. A. Walsh, G. Z. Chen and A. K. Croft, Faraday Discussions, 127-145, 190, 2016, doi: 10.1039/C5FD00226E.
  32. 43 “Computational approaches to understanding reaction outcomes of organic processes in ionic liquids”, Sinead T. Keaveney, Jason B. Harper and Anna K. Croft, RSC Advances, 35709-35729, 5, 2015, doi: 10.1039/C4RA14676J.
  33. 42 “Differential spontaneous folding of mycolic acids from Mycobacterium tuberculosis”, W. Groenewald, M. S. Baird, J. A. Verschoor, D. E. Minnikin and A. K. Croft, Chem. Phys. Lipid, 15-22, 180, 2014, doi: 10.1016/j.chemphyslip.2013.12.004.
  34. 41 “Probing the importance of ionic liquid structure: A general ionic liquid effect on an SNAr process”, E. E. L. Tanner, R. R. Hawker, H. M. Yau, A. K. Croft and J. B. Harper, Org. Biomol. Chem., 7516-7521, 11, 2013, doi: 10.1039/C3OB41634H.
  35. 40 “UPLC-MS profiling of low molecular weight phlorotannin polymers in Ascophyllum nodosum, Pelvetia canaliculata and Fucus spiralis”, M. S. Tierney, A. Soler-Vila, D. K. Rai, A. K. Croft, N. Brunton and T. Smyth, Metabolomics, 524-535, 10(3), 2013, doi: 10.1007/s11306-013-0584-z.
  36. 39 “Does the cation really matter? The effect of modifying an ionic liquid cation on an SN2 process”, E. E. L. Tanner, H. M. Yau, R. R. Hawker, A. K. Croft and J. B. Harper, Org. Biomol. Chem., 6170-6175, 11, 2013, doi: 10.1039/C3OB41038B.
  37. 38 “Towards solvent-controlled reactivity in Ionic Liquids”, H. M. Yau, S. Keaveney, B. Butler, E. E. L. Tanner, M. Guerry, S. George, M. Dunn, A. K. Croft and J. B. Harper, Pure Appl. Chem., 1979-1990, 85(10), 2013, doi: 10.1351/PAC-CON-12-10-22.
  38. 37 “Reaction Mechanisms – Polar Reactions”, H. M. Yau and A. K. Croft, Annu. Rep. Prog. Chem., Sect. B, 275-294, 109, 2013, doi: 10.1039/c3oc90006a.
  39. 36 “Antioxidant activity of the brown macroalga Fucus spiralis Linnaeus harvested from the west coast of Ireland”, M. S. Tierney, A. Soler, A. K. Croft and M. Hayes, Current Res. J. Biol. Sci., 81-90, 5(3), 2013.
  40. 35 “Enrichment of polyphenol contents and antioxidant activities of Irish brown macroalgae using food-friendly techniques based on polarity and molecular size”, M. S. Tierney, T. J. Smyth, D. K. Rai, A. Soler-Vila, A. K. Croft and N. Brunton, Food Chem., 753-761, 139, 2013, doi: 10.1016/j.foodchem.2013.01.019.
  41. 34 “Influence of pressurised liquid extraction and solid–liquid extraction methods on the phenolic content and antioxidant activities of Irish macroalgae” M. S. Tierney, T. J. Smyth, M. Hayes, A. Soler-Vila, A. K. Croft and N. Brunton, Int. J. Food Sci. & Tech., 860-869, 48(4), 2013, doi: 10.1111/ijfs.12038.
  42. 33 ’One-pot’ Hammett plots: a general method for the rapid acquisition of relative rate data”, H. M. Yau, A. K. Croft and J. B. Harper, Chem. Commun., 8937-8939, 48, 2012, doi: 10.1039/C2CC34074G.
  43. 32 “Structural diversity in the AdoMet radical enzyme superfamily”, D. P. Dowling, J. Vey, A. K. Croft and C. L. Drennan, Biochem. Biophys. Acta, 1178-1195, 1824, 2012, doi: 10.1016/j.bbapap.2012.04.006.
  44. 31 “The Radical Use of Rossmann and TIM Barrel Architectures for Controlling Coenzyme B12 Chemistry”, D. P. Dowling, A. K. Croft and C. L. Drennan, Annu. Rev. Biophys., 403-427, 41, 2012, doi: 10.1146/annurev-biophys-050511-102225.
  45. 30 “Reaction Mechanisms – Polar Reactions”, H. M. Yau and A. K. Croft, Annu. Rep. Prog. Chem., Sect. B, 272-291, 108, 2012, doi: 10.1039/C2OC90019J.
  46. 29 “Medicinal Chemistry and Ligand Profiling for Evaluation of Promising Bioactive Molecules”, A. K. Croft*, W. Groenewald and M. S. Tierney, in Marine Bioactive Compounds: Characterization and Applications, pp173-206, 2012, ed. M. Hayes, Springer-Link, New York.
  47. 28 “Investigating the origin of entropy-derived rate accelerations in ionic liquids”, H. M. Yau, A. K. Croft and J. B. Harper, Faraday Discussions, 365-371, 154, 2012, doi: 10.1039/C1FD00060H.
  48. 27 “International Comparisons in Senior Secondary Assessment”, Ofqual full report ref: Ofqual/12/5179, Chemistry Panel contributor, June 2012.
  49. 26 “Reaction Mechanisms – Polar Reactions”, A. K. Croft* and E. Davies, Annu. Rep. Prog. Chem., Sect. B, 287-307, 107, 2011, doi: 10.1039/C1OC90005F.
  50. 25 “Controlling Chlorine Radical: from Lab to Environment”, A. K. Croft*, H. M. Howard-Jones, C. E. Skates and C. C. Wood, Org. Biomol. Chem., 7439-7447, 9, 2011, doi:10.1039/C1OB00001B, invited.
  51. 24 “Anion-π interactions influence pKa values”, C. J. Cadman and A. K. Croft*, Beilstein J. Org. Chem., 320-328, 7, 2011, doi:10.1039/C1OB00001B, invited.
  52. 23 “Antioxidant and antihypertensive bioactive compounds from macroalgae: Their characterisation and potential role in functional foods”, M. Tierney, A. K. Croft and M. Hayes, Bot. Mar., 387-408, 53 (5), 2010.
  53. 22 “Ionic liquids through the looking glass: theory mirrors experiment and provides further insight into aromatic substitution processes”, S. G. Jones, H. M. Yau, E. Davies, J. M. Hook, T. G. A. Youngs, J. B. Harper and A. K. Croft, Phys. Chem. Chem. Phys., 1873-1878, 12, 2010, doi: 10.1039/b919831h.
  54. 21 “Reaction Mechanisms – Polar Reactions”, A. K. Croft*, Annu. Rep. Prog. Chem., Sect. B, 304-324, 106, 2010, doi: 10.1039/b927077a, invited.
  55. 20 “Generation and Stereoselective Transformations of 3-phenylcyclopropene”, A. E. Sheshenev, M. S. Baird, A. K. Сroft and Bolesov I.G., Tetrahedron, 10036-10046, 65 (48), 2009, doi: 10.1016/j.tet.2009.09.098.
  56. 19 "Ionic Liquids: Just Molten Salts After All?", H. M. Yau, S. J. Chan, S. R. D. George, J. M. Hook, A. K. Croft, and J. B. Harper, Molecules, 2521-2534, 14 (7), 2009, doi:10.3390/molecules14072521.
  57. 18 “Solvent reorganisation as the driving force for rate changes of Menschutkin reactions in an ionic liquid”, H. M. Yau, A. G. Howe, J. M. Hook, A. K. Croft and J. B. Harper*, Org. Biomol. Chem., 3572-3575, 7, 2009, doi: 10.1039/b909171h.
  58. 17 "Electropolymerisation studies on a series of thiophene substituted 1,3-dithiole-2-ones: solid state preparation of a novel TTF derivatised polythiophene", T. Anjos, A. Charlton, S. J. Coles, A. K. Croft, M. B. Hursthouse, M. Kalaji, P. J. Murphy* and S. J. Roberts-Bleming, Macromol., 2505–2515, 42 (7), 2009, doi: 10.1021/ma802181b.
  59. 16 "Radicals by design", A. K. Croft, K. Lindsey, P. Renaud and T. Skrydstrup, Chimia, 735-741, 62 (9), 2008, doi: 10.2533/chimia.2008.735, invited.
  60. 15 "The importance of solvent reorganisation in the effect of an ionic liquid on a unimolecular substitution process", H. M. Yau, S. A. Barnes, J. M. Hook, A. K. Croft and J. B. Harper, Chem. Commun., 3576-3578, 2008, doi: 10.1039/b805255g.
  61. 14 “Remote aromatic stabilization in radical reactions”, A. Garcia Cabellero, A. K. Croft and S. M. Nalli, Tetrahedron Lett., 3616-3615, 49 (22), 2008, doi: 10.1016/j.tetlet.2008.04.009.
  62. 13 “Proline-Rich Proteins – Deriving a Basis for Residue-based Selectivity in Polyphenolic Binding”, M. K. Foley and A. K. Croft, Org. Biomol. Chem., 1594-1600, 6, 2008, doi: 10.1039/b800365c.
  63. 12 "Chlorine–benzene complexes—the reliability of density functionals for non-covalent radical complexes", A. K. Croft and H. M. Howard-Jones, Phys. Chem. Chem. Phys., 5649-5655, 9 (42), 2007, doi: 10.1039/b704966h.
  64. 11 "Thiamine Biosynthesis in Escherichia coli: Identification of the Intermediate and By-Product Derived from Tyrosine", M. Kriek, F. Martins, M. Challand, A. K. Croft and P. L. Roach, Angew. Chem. Int. Ed., 9223-9226, 48 (46), 2007, doi: 10.1002/anie.200702554.
  65. 10 “Stereocontrol in ene-dimerisation and trimerisation of 1-trimethylsilyl-3-phenylcyclopropene”, A. E. Sheshenev, M. S. Baird, A. K. Croft, Z. A. Starikova, A. S. Shashkov, A. L. Zhuze and I. G. Bolesov, Tetrahedron Lett., 2839-2843, 47 (16), 2006, doi: 10.1016/j.tetlet.2005.12.111.
  66. 9 “Ethyl Diazoacetate in Catalytic Reactions with Imides: Experimental and Calculation Data”, Vs. V. Nikolaev, L. Hennig, A. K. Croft, B. Schulze, R. R. Kostikov and V. A. Nikolaev, Russ. J. Org. Chem., 620-622, 41 (4), 2005, doi: 10.1007/s11178-005-0215-x.
  67. 8 "QM/MM calculations on the rearrangement reaction of isobutyryl-CoA mutase”, S. Pilbak, A. K. Croft and L. Poppe, FEBS Journal, 113-113, 272, 2005.
  68. 7 “Vocational Training in Gene Technology: Genial”, CD and website (http://www.genial-info.net), ed. A. K. Croft, 2004.
  69. 6 “Radicals in Enzymatic Reactions: To B12 or Not to B12?”, B. T. Golding, D. Ciceri, A. K. Croft, T. Darbre and R. Fernandez Lopez, Modern Problems of Organic Chemistry, 112-120, 14, 2004.
  70. 5 “The Generation and Stereocontrolled Trapping of 3-Phenylcyclopropene and some Derivatives”, A. E. Sheshenev, M. S. Baird, A. K. Croft and I. G. Bolesov, Mendeleev Commun., 299-301, 14 (6), 2004.
  71. 4 “Anchimeric Assistance in Hydrogen Atom Transfer to Bromine”, A. K. Croft and C. J. Easton, Aust. J. Chem., 651-654, 57 (7), 2004.
  72. 3 “Strategic use of amino acid N-substituents to limit α-carbon-centered radical formation and consequent loss of stereochemical integrity”, A. K. Croft, C. J. Easton, K. Kociuba and L. Radom, Tetrahedron Asymm., 2919-2926, 14 (19), 2003.
  73. 2 “Design of Radical-Resistant Amino Acid Residues: A Combined Theoretical and Experimental Investigation”, A. K. Croft, C. J. Easton and L. Radom, J. Am. Chem. Soc., 4119-4124, 125 (14), 2003.
  74. 1 An HPLC Study of Cooperative Guest Binding by a Covalently Linked β-Cyclodextrin Dimer", A. K. Croft, C. J. Easton, S. F. Lincoln, B. L. May and J. Papageorgiou, Aust. J. Chem., 857-859, 50, 1997.