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Qin, Y.; Xia, C.; Wu, T.; Zhang, J.; Gao, G.; Xia, B.Y.; Coote, M.L.; Ding, S.; Su, Y., Specific adsorption of alkaline cations enhances *CO-*CO coupling in CO2 electroreduction. J. Am. Chem. Soc. (2024) https://pubs.acs.org/doi/10.1021/jacs.4c10455
Pham, L.N.; Olding, A.; Ho, C.C.; Bissember, A.C.; Coote, M.L., Investigating Competing Inner- and Outer-Sphere Electron-Transfer Pathways in Copper Photoredox-Catalyzed Atom-Transfer Radical Additions: Closing the Cycle. Angew. Chem. Int. Ed. (2024) e202415792. https://doi.org/10.1002/anie.202415792
Pei, Z.; Connor, K.P.E.; Magann, N.L.; Gardiner, M.G.; Coote, M.L.; Sherburn, M.S., Radical versus non-radical reactivity in ortho- and para-quinonedimethides and implications for cycloaddition mechanisms. Org. Lett. (2024) 26, 8110–8114. https://doi.org/10.1021/acs.orglett.4c03001
Draper, F.; DiLuzio, S.; Sayre, H.J.; Pham, L.N.; Coote, M.L.; Doeven, E.H.; Francis, P.S.; Connell, T.U., Maximizing photon-to-electron conversion for atom efficient photoredox catalysis. J. Am. Chem. Soc. (2024) 146, 26830–26843. https://doi.org/10.1021/jacs.4c07396
Czyz, M.L.; Horngren, T.H.; Kondopoulos, A.J.; Franov, L.J.; Forni, J.A.; Pham, L.N.; Coote, M.L.; Polyzos, A., Photocatalytic Generation of Alkyl Carbanions from Aryl Alkenes Nat. Catal. (2024) https://doi.org/10.1038/s41929-024-01237-x
Yu, L.; Diaz, J.; Kroeger, A.S.; Coote, M.L.; Chan, P.W.H., Chiral Brønsted Acid Catalyzed Regio-, Diastereo- and Enantioselective Formal [2 + 2 + 2] Cycloaddition of 3-Vinyl-1H-indoles with Nitrosobenzenes ACS Catal. (2024) 14, 13269-13282. https://doi.org/10.1021/acscatal.3c05041
Hawkins, B.C.; Chalker, J.M.; Coote, M.L.; Bissember, A.C., Electrochemically Generated Carbocations in Organic Synthesis Angew. Chem. Int. Ed. (2024) e202407207. https://doi.org/10.1002/anie.202407207
Coote, M.L., Solvent Effects On Free Radical Polymerization in Handbook of Solvents (Fourth Edition): Volume 1 Properties, Ed. Wypych, ChemTec Publishing (2024) pp 837-922. https://doi.org/10.1016/B978-1-77467-040-8.50014-1
Ivanchenko, O.; Odnoroh, M.; Rolle, F.; Kroeger, A.A.; Mallet‑Ladeira, S.; Mazières, S.; Guerre, M.; Coote, M.L.; Destarac, M., 2-Cyanopropan-2-yl versus 1-cyanocyclohex-1-yl leaving group: Comparing Reactivities of Symmetrical Trithiocarbonates in RAFT Polymerization Macromol. Rapid Commun. (2024) 2400317. https://doi.org/10.1002/marc.202400317
Xing, X.; He, Y.T.; Song, J.G.; Lan, P.; White, L.V.; Tan, H.X.; Pham, L.N.; Coote, M.L.; Wu, X., Banwell, M.G., The Synthesis and Ring-closing Reactions of Aminocyclohexane Derivatives Bearing Unsaturated Side-chains at C2 Eur. J. Org. Chem. (2024) e202400455. https://doi.org/10.1002/ejoc.202400455
Tan, S.; Zard, S.Z.; Pham, L.N.; Coote, M.L.; Banwell, M.G.; Lan, P.; White, L.V., Short Formal Syntheses of Lycorine and Congeners Using a 5-Endo-Trig / 6-Endo-Trig Radical Cyclization Sequence Org. Lett. (2024) 26, 4292−4296. https://doi.org/10.1021/acs.orglett.4c01271
Vogel, Y.B.; Pham, L.N.; Stam, M.; Ubbink, R.F.; Coote, M.L.; Houtepen, A.J., Solvation shifts the band-edge position of colloidal quantum dots by nearly 1 eV J. Am. Chem. Soc. (2024) 146, 9928–9938. https://doi.org/10.1021/jacs.4c00402
Tang, M.; Draper, F. Pham, L.N.; Ho, C.C.; Huang, H.; Sun, J.; Thickett, S.C.; Coote, M.L.; Connell, T.U.; Bissember, A.C., Photochemical Povarov-type Reactions: Electron Donor–Acceptor Photoactivation by Visible Light J. Org. Chem. Soc. (2024) 89, 2683–2690. https://doi.org/10.1021/acs.joc.3c02746
Multem, A.J.H.; Delaney, A.R.; Kroeger, A.A.; Coote, M.L.; Colebatch, A.L., Utilising a Proton-Responsive 1,8-Naphthyridine Ligand for the Synthesis of Bimetallic Palladium and Platinum Complexes Chem. Asian J. (2024) 19, e202301071. https://doi.org/10.1002/asia.202301071
Stevens, M.A.; Lim, L.F.; Pham, L.N.; Cox, N.; Coote, M.L.; Colebatch, A.L., A one-pot reduction route to bimetallic manganese 1,8-naphthyridine complexes Dalton Trans. (2024) 53, 1284-1294. https://doi.org/10.1039/D3DT03709F
Antonopoulou, M.-N., Jones, G.R.; Kroeger, A.A.; Pei, Z.; Coote, M.L.; Truong, N.P.; Anastasaki, A., Acid-Triggered Radical Polymerization of Vinyl Monomers Nat. Synth. (2024) 3, 347–356. https://www.nature.com/articles/s44160-023-00462-9
Fung, A.K.K.; Sowden, M.J.; Coote, M.L.; Sherburn, M.S., Air Tolerant Cadiot-Chodkiewicz and Sonogashira Cross-Couplings Org. Lett. (2023) 25, 8145–8149. https://doi.org/10.1021/acs.orglett.3c03314
Fan, Y.-M.; George, J.; Wang, J.Y.J.; Gardiner, M.G.; Coote, M.L.; Sherburn, M.S., A Rapid Aza-Bicycle Synthesis From Dendralenes And Imines Org. Lett. (2023) 25, 7545–7550. https://doi.org/10.1021/acs.orglett.3c02890
Zhu, C.; Pham, L.N.; Yuan, X.; Ouyang, H.; Coote, M.L.; Zhang, X., High Electric Fields on Water Microdroplets Catalyze Spontaneous and Fast Reactions in Halogen-Bond Complexes J. Am. Chem. Soc. (2023) 145, 21207–21212. https://doi.org/10.1021/jacs.3c08818.
Delaney, A.R.; Kroeger, A.A.; Coote, M.L.; Colebatch, A.L., Oxidative Addition and β-hydride Elimination by a Macrocyclic Dinickel Complex: Observing Bimetallic Elementary Reactions Chem. Eur. J. (2023) 29, e202302366 https://doi.org/10.1002/chem.202302366
Yuan, T. ; Chen, J. ; Pham, L. N.; Paul, S.; White, L. V.; Li, J.; Lan, P.; Coote, M.L.; Banwell, M. G.; He, Y., Visible Light-mediated Syntheses of Unsymmetrical Methylene- bridged bis-Heterocycles via an Alkoxy Radical Relay Reaction Org. Chem. Front. (2023) 10, 4649-4657. https://doi.org/10.1039/D3QO00754E
Audran, G.; Bagryanskaya, E.G.; Bikanga, R.; Coote, M.L.; Guselnikova, O.; Hammill, C.L.; Marque, S.R.A.; Mellet, P.; Postnikovf, P.S., Dynamic Covalent Bond: Modes of Activation of the C—ON Bond in Alkoxyamines, Prog. Polym. Sci. (2023) 144, 101726. https://doi.org/10.1016/j.progpolymsci.2023.101726
Pei, Z.; Magann, N.L.; Sowden, M.J.; Murphy, R.B.; Gardiner, M.G.; Sherburn, M.S.; Coote, M.L., Computational and Experimental Confirmation of the Diradical Character of para-Quinonedimethide, J. Am. Chem. Soc. (2023) 145, 16037-16044. https://doi.org/10.1021/jacs.3c04363
Jiang, S.; Xie, Y.; Xie, Y.; Yu, L.; Yan, X.; Zhao, F.; Mudugamuwa, C.J.; Coote, M.L.; Jia, Z.; Zhang, K., Lewis acid-induced reversible disproportionation of TEMPO enables aqueous aluminium radical batteries, J. Am. Chem. Soc. (2023) 145, 14519–14528. https://doi.org/10.1021/jacs.3c04203
Belotti, M.; El-Tahawy, M.M.T.; Garavelli, M.; Coote, M.L.; Iyer, K.S.; Ciampi, S., Separating convective from diffusive mass transport mechanisms in ionic liquids by redox pro-fluorescence microscopy, Anal. Chem. (2023) 95, 9779–9786. https://doi.org/10.1021/acs.analchem.3c00168
Pople, J.M.M.; Nicholls, T.P.; Pham, L.N.; Bloch, W.M.; Lisboa, L.S.; Perkins, M.V.; Gibson, C.T.; Coote, M.L.; Jia, Z.; Chalker, J.M., Electrochemical synthesis of poly(trisulfides), J. Am. Chem. Soc. (2023) accepted. https://doi.org/10.1021/jacs.3c03239
Tonkin, S.J; Pham, L.N.; Gascooke, J.R.; Johnston, M.R.; Coote, M.L.; Gibson, C.T.; Chalker, J.M., Thermal imaging and clandestine surveillance using low-cost polymers with long-wave infrared transparency, Adv. Optical Mater. (2023) 2300058. https://doi.org/10.1002/adom.202300058
Low, K.; Coote, M.L.; Izgorodina, E.I., Accurate Prediction of Three-Body Intermolecular Interactions via Electron Deformation Density-Based Machine Learning, J. Chem. Theory Comput. (2023) 19, 1466–1475. https://doi.org/10.1021/acs.jctc.2c00984
Zhao, Y.; Merrett, J.T.; Jin, J.; Yu, L.; Coote, M.L.; Chan, P.W.H., Gold catalysed site-selective cross-coupling of tertiary α-silylamines with 1-iodoalkynes under UVA LED light, Org. Chem. Front. (2023) 10, 759-766. https://doi.org/10.1039/d2qo01581a
Delaney, A.R.; Yu, L., Doan, V.; Coote, M.L.; Colebatch, A.L., Bimetallic Nickel Complexes Supported by a Planar Macrocyclic Diphosphoranide Ligand, Chem. Eur. J. (2023) 29, e202203940. https://doi.org/10.1002/chem.202203940
Blyth, M.T.; Coote, M.L., Manipulation of N-Heterocyclic Carbene Reactivity with Practical Oriented Electric Fields Phys. Chem. Chem. Phys. (2023) 25, 375-383. https://doi.org/10.1039/d2cp04507a
Hall, P.D.; Stevens, M.A.; Wang, J.Y.J.; Pham, L.N.; Coote, M.L.; Colebatch, A.L., Copper and zinc complexes of 2,7-bis(6-methyl-2- pyridyl)-1,8-naphthyridine – a redox-active, dinucleating bis(bipyridine) ligand Inorg. Chem. (2022) 61, 19333–19343. https://doi.org/10.1021/acs.inorgchem.2c03126
Low, K.; Coote, M.L.; Izgorodina, E.I., Explainable solvation free energy prediction combining graph neural networks with chemical intuition J. Chem. Inf. Model. (2022) 62, 5457–5470. https://doi.org/10.1021/acs.jcim.2c01013
Belotti, M.; El-Tahawy, M.M.T.; Yu, L.; Russell, I.C.; Darwish, N.;Coote, M.L.; Garavelli, M.; Ciampi, S., Luciferase-free Luciferin Electrochemiluminescence Angew. Chem. (2022) 61, e202209670. https://doi.org/10.1002/anie.202209670
Xu, L.; Coote, M. L, Recent Advances in Solvation Modelling Applications: Chemical Properties, Reaction Mechanisms and Catalysis Annual Reports in Computational Chemistry (2022) https://www.elsevier.com/books/annual-reports-on-computational-chemistry/dixon/978-0-323-99092-9
Yi, L.; He, Y.; Tan, S.; White, L. V; Lan, P.; Gardiner, M. G.; Pei, Z.; Coote, M. L; Banwell, M. G., Total Syntheses of the Structures Assigned to the Marine Natural Products Orthoscuticellines A-E J. Org. Chem. (2022) 87, 12287-12296 https://doi.org/10.1021/acs.joc.2c01477
Fan, Y.; Yu, L.; Gardiner, M.G.; Coote, M.L.; Sherburn, M.S., Enantioselective oxa-Diels-Alder Sequences of Dendralenes Angew. Chem. (2022) 61, e202204872 https://doi.org/10.1002/anie.202204872
Liu, X.; Pollard, B.; Banwell, M.G.; Yu, L.; Coote, M.L.; Gardiner, M.G.; van Vugt-Lussenburg, B.M.A.; van der Burg, B.; Grasset, F.L.; Campillo, E.; Sherwood, J.; Byrne, F.; Farmer, T.J., Simple and Modestly Scalable Synthesis of iso-Cyrene from Levoglucosenone and Its Comparison to the Bio-Based and Polar Aprotic Solvent Cyrene® Aust J. Chem. (2022) 75, 331-344. https://doi.org/10.1071/CH22046
De Keer, L.; Van Steenberge, P.; Reyniers, M.-F.; Gryn’ova, G.; Aitken, H.A.; Coote, M.L., New Mechanism for Autoxidation of polyolefins: kinetic Monte Carlo Modelling of the Role of Short-chain Branches, Molecular Oxygen and Unsaturated Moieties Polym. Chem. (2022) 13, 3304-3314. https://doi.org/10.1039/D1PY01659H.
Wang, H.S.; Truong, N.P.; Pei, Z.; Coote, M.L.; Anastasaki, A., Reversing RAFT Polymerization: Near-Quantitative Monomer Generation via a Catalyst-Free Depolymerization Approach J. Am. Chem. Soc. (2022) 144, 4678–4684. https://doi.org/10.1021/jacs.2c00963
Low, K.; Coote, M.L.; Izgorodina, E.I., Inclusion of More Physics Leads to Less Data: Learning the Interaction Energy as a Function of Electron Deformation Density with Limited Training Data J. Chem. Theory Comput. (2022) 18, 1607−1618. https://doi.org/10.1021/acs.jctc.1c01264
Shi , Q.; Pei, Z.; Song, J.; Li, S.-J.; Wei, D.; Coote, M.L.; Lan, Y., Diradical Generation via Relayed Proton-Coupled Electron Transfer J. Am. Chem. Soc. (2022) 144, 3137-3145. https://doi.org/10.1021/jacs.1c12360
Stewart, M.; Yu, L.; Sherburn, M.S.; Coote, M.L., Computational Design of Next Generation Atom Transfer Radical Polymerization Ligands Polym. Chem. (2022) 13, 1067 – 1074. https://doi.org/10.1039/D1PY01716K
Wang, J.Y.J.; Blyth, M.T.; Sherburn, M.S.; Coote, M.L., Tuning photoenolization-driven cycloadditions using theory and spectroscopy J. Am. Chem. Soc. (2022) 144, 1023-1033. https://doi.org/10.1021/jacs.1c12174
Tang, M.; Cameron, L.; Poland, E.M.; Yu, L. Moggach, S.A.; Fuller, R.O.; Huang, H.; Sun, J.; Thickett, S.C.; Massi, M.; Coote, M.L.; Ho, C.C; Bissember, A.C. Photoactive Metal Carbonyl Complexes Bearing N- Heterocyclic Carbene Ligands: Synthesis, Characterization and Viability as Photoredox Catalysts Inorg. Chem. (2022) 61, 1888-1898. https://doi.org/10.1021/acs.inorgchem.1c02964
Yu, L.; Blyth, M.T.; Coote, M.L., Re-Examination of Proline-Catalyzed Intermolecular Aldol Reactions: An Ab Initio Kinetic Modelling Study Top. Catal. (2022) 65, 354-365. https://doi.org/10.1007/s11244-021-01501-5
Pei, Z.; Qiao, Q.; Gong, C.; Wei, D.; Coote, M.L., Electrostatic Effects in N-Heterocyclic Carbene Catalysis: Revealing the Nature of Catalysed Decarboxylation Phys. Chem. Chem. Phys. (2021) 23, 24627-24633. https://doi.org/10.1039/D1CP04444C
Belotti, M.; Lyu, X.; Xu, L.; Halat, P.; Darwish, N.; Silvester, D.S.; Goh, C.; Izgorodina, E.I.; Coote, M.L.; Ciampi, S., Experimental Evidence of Long-Lived Electric Fields of Ionic Liquid Bilayers J. Am. Chem. Soc. (2021) 143, 17431–17440. https://doi.org/10.1021/jacs.1c06385
Audran, G.; Blyth, M.T.; Coote, M.L.; Gescheidt, G.; Hardy, M.; Havot, J.; Holzritter, M.; Jacoutot, S.; Joly, J.-P.; Marque, S.R.A.; Koumba, M.M.T.; Neschadin, D.; Vaiedelich, E., Homolysis/Mesolysis of Alkoxyamines Activated by Chemical Oxidation and Photochemical-triggered Radical Reactions at Room Temperature Org. Chem. Front. (2021) 8, 6561-6576. https://doi.org/10.1039/D1QO01276B
Maddigan-Wyatt, J.T.; Blyth, M.T.; Ametovski, J.; Coote, M.L.; Hooper J.F.; Lupton, D.W., Redox isomerization/(3 + 2) allenoate annulation by auto-tandem phosphine catalysis Chem. Eur. J. (2021) 27, 16232-16236. https://doi.org/10.1002/chem.202103224
Mater, A.C.; Coote, M.L., Explainable Molecular Sets: Using Information Theory to Generate Meaningful Descriptions of Groups of Molecules J. Chem. Inf. Model. (2021) 61, 4877–4889. https://doi.org/10.1021/acs.jcim.1c00519
Yu, L.; Cullen, D.A.; Morshedi, M.; Coote, M.L.; White, N.G., Room temperature hydrolysis of benzamidines and benzamidiniums in weakly basic water J. Org. Chem. (2021) 86, 13762–13767. https://doi.org/10.1021/acs.joc.1c01955
Pijning, A.E.; Blyth, M.T.; Coote, M.L.; Passam, F.; Chiu, J.; Hogg, P.J., An alternate covalent form of platelet αIIbβ3 integrin that resides in focal adhesions and has altered function, Blood (2021) 138, 1359–1372. https://doi.org/10.1182/blood.2021012441
Delaney, A.; Yu, L.; Coote, M.L.; Colebatch, A.L., Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes, Dalton Trans. (2021) 50, 11909-11917. https://doi.org/10.1039/D1DT01741A
Izadi,F.; Arthur-Baidoo, E.; Strover, L.T.; Yu, L.; Coote, M.L.; Moad, G.; Denifl, S., Selective bond cleavage in RAFT agents promoted by low-energy electron attachment, Angew. Chem. (2021) 60, 19128-19132. https://doi.org/10.1002/anie.202107480
Fung, A.K.K.; Yu, L.; Sherburn, M.S.; Coote, M.L., ATRP-Inspired Room Temperature (sp3)C–N Coupling, J. Org. Chem. (2021) 86, 9723–9732. https://doi.org/10.1021/acs.joc.1c01029
Yu, L.; Coote, M.L., Electrostatic Switching of Stereoselectivity in Aldol Reactions, J. Org. Chem. (2021) 86, 9076–9083. https://doi.org/10.1021/acs.joc.1c01032
Uddin, N.; Langley, J.; Zhang, C.; Fung, A. K. K.; Lu, H.; Yin, X.; Liu, J.; Wan, Z.; Nguyen, H. T.; Li, Y., et al., Zero-emission multivalorization of light alcohols with self-separable pure H2 fuel, Appl. Catal. B (2021), 292, 120212. https://doi.org/10.1016/j.apcatb.2021.120212
Goodwin, R.J.; Blyth, M.T.; Fung, A.K.K.; Smith, L.M.; Norcott, P.L.; Tanovic, S.; Coote, M.L.; White, N.G., Simple acyclic molecules containing a single charge-assisted O–H group can recognize anions in acetonitrile:water mixtures, Org. Bio. Chem. (2021), 19, 2794-2803. https://dx.doi.org/10.1039/d1ob00282a
Zhang, J; Coote, M.L.; Ciampi, S., Electrostatics and Electrochemistry: Mechanism and Scope of Charge-Transfer Reactions on the Surface of Tribocharged Insulators, J. Am. Chem. Soc. (2021) 143, 3019–3032 https://dx.doi.org/10.1021/jacs.0c11006
M. L. Coote, Quantum Chemical Studies of RAFT Polymerization, In: RAFT Polymerization: Methods, Synthesis and Applications, Second Edition, G. Moad; E. Rizzardo, Eds. WILEY-VCH GmbH; (2021) pp. 139-188 https://doi.org/10.1002/9783527821358
Marlton, S.J.P.; McKinnon, B.I.; Hill, N.S.; Coote, M.L.; Trevitt, A.J., Electrostatically Tuning the Photodissociation of the Irgacure 2959 Photoinitiator in the Gas Phase by Cation Binding J. Am. Chem. Soc., (2021) 143, 2331-2339 https://dx.doi.org/10.1021/jacs.0c11978
S. Ciampi; I. Diez-Perez; M. L. Coote; N. Darwish, Experimentally Harnessing Electric Fields in Chemical Transformations, In: Effects of Electric Fields on Structure and Reactivity: New Horizons in Chemistry, S. Shaik; T. Stuyver, Eds. Royal Society of Chemistry; (2021) pp. 71-118 https://doi.org/10.1039/9781839163043
M. T. Blyth; M. L. Coote, Recent advances in designed local electric fields, In: Effects of Electric Fields on Structure and Reactivity: New Horizons in Chemistry, S. Shaik; T. Stuyver, Eds. Royal Society of Chemistry; (2021) pp. 119-146 https://doi.org/10.1039/9781839163043
Fung, A.K.K.; Coote, M.L., A Mechanistic Perspective on Atom Transfer Radical Polymerization, Polym. Int., (2021), 70, 918-926. https://doi.org/10.1002/pi.6130
Boer, S.A.; Yu, L.; Genet, T.L.; Low, K.; Cullen, D.A.; Gardiner, M.G.; Coote, M.L.; White, N.G., What’s in an atom? A comparison of carbon and silicon-centered amidinium···carboxylate frameworks, Chem. Eur. J., (2021) 27, 1768-1776 https://doi.org/10.1002/chem.202003791
Vogel, Y.B.; Evans, C.W.; Belotti, M.; Xu, L.; Russell, I.C.; Yu, L.; Fung, A.K.K.; Hill, N.S.; Darwish, N.; Gonçales, V.R.; Coote, M.L.; Iyer, K.S.; Ciampi, S., The Corona of a Surface Bubble Promotes Electrochemical Reactions, Nat. Comm., (2020), 11, 6323, https://doi.org/10.1038/s41467-020-20186-0
Rogers, F.J.M.; Norcott, P.L.; Coote, M.L., Recent Advances in the Chemistry of Benzo[e][1,2,4]triazinyl Radicals, Org. Biol. Chem., (2020), 18, 8255-8277, https://doi.org/10.1039/D0OB01394C
Stewart, S.G.; Harfoot, G.J.; McRae, K.J.; Teng, Y.; Yu, L.; Chen, B.; Cammi, R.; Coote, M.L.; Banwell, M.G.; Willis, A.C., High-Pressure-Promoted and Facially Selective Diels-Alder Reactions of Enzymatically Derived cis-1,2-Dihydrocatechols and their Acetonide Derivatives. Enantiodivergent Routes to Homochiral and Polyfunctionalized Bicyclo[2.2.2]octenes, J. Org. Chem., (2020), 85, 20, 13080-13095, https://doi.org/10.1021/acs.joc.0c01767
Bathellier, C.; Yu, L.; Farquhar, G.D.; Coote, M.L.; Lorimer, G.; Tcherkez, G., Ribulose 1,5-bisphosphate carboxylase/oxygenase activates O2 by electron transfer, Proc. Natl. Acad. Sci. U.S.A, (2020), 117, 24234-24242, https://doi.org/10.1073/pnas.2008824117
Hill, N.S.; Coote, M.L., Rational Design of Photo-cleavable Alkoxyamines for Polymerization and Synthesis, Phys. Chem. Chem. Phys., (2020), 22, 19680-19686, https://doi.org/10.1039/D0CP02924F
Nikahd, M.; Mikusek, J.; Banwell, M.G.; Yu, L.; Coote, M.L.; Gardiner, M.G., Further, Small-molecule Pyrolysis Products Derived from Chitin, Aust. J. Chem., (2020), 73, 1187-1196, https://doi.org/10.1071/CH20172
Xu, L.; Izgorodina, E.I.; Coote, M.L., Ordered Solvents and Ionic Liquids Can be Harnessed for Electrostatic Catalysis, J. Am. Chem. Soc., (2020), 142, 12826-12833, https://doi.org/10.1021/jacs.0c05643
Zhang, J.; Lalevée, J.; Hill, N. S.; Kiehl, J.; Zhu, D.; Cox, N.; Langley, J.; Stenzel, M. H.; Coote, M. L.; Xiao, P., Substituent Effects on Photoinitiation Ability of Monoaminoanthraquinone-based Photoinitiating Systems for Free Radical Photopolymerization under LEDs, Macromol. Rapid Commun., (2020), 41, 2000166, https://doi.org/10.1002/marc.202000166
Zhang, J.; Su, C.; Rogers, F.J.M.; Darwish, N.; Coote, M.L.; Ciampi, S., Irreproducibility in the triboelectric charging of insulators: evidence of a non-monotonic charge versus contact time relationship, Phys. Chem. Chem. Phys., (2020), 22, 11671-11677, https://doi.org/10.1039/D0CP01317J
Doan, V.; Noble, B.B.; Coote, M.L., Electrostatic Activation of Tetrazoles, J. Org. Chem. (2020), 85, 15, 10091-10097, https://doi.org/10.1021/acs.joc.0c01354
Rogers, F.J.M.; Noble, B.B.; Coote, M.L., Computational Optimization of Alkoxyamine-Based Electrochemical Methylation, J. Phys. Chem. A (2020), 124, 29, 6104-6110, https://doi.org/10.1021/acs.jpca.0c05169
Hill, N.S.; Noble, B.B.; Rogers, F.J.M.; Fung, A.K.K.; Coote, M.L. Computational Tools for Nitroxide Design, In Nitroxides: Synthesis, properties and applications, Ouari, O.; Gigmes, D., Eds. Royal Society of Chemistry; (2020) ISBN-10: 1788017528, ISBN-13: 978-1788017527.
Hill, N.S.; Fule, M.J.; Morris, J.; Clément, J.L.; Guillaneuf, Y.; Gigmes, D.; Coote, M.L., Mesolytic versus Homolytic Cleavage in Photochemical Nitroxide Mediated Polymerization, Macromolecules (2020), 53, 1567-1572. https://doi.org/10.1021/acs.macromol.0c00134
Nikahd, M.; Mikusek, J.; Yu, L.; Coote, M.L.; Banwell, M.G.; Ma, C.; Gardiner, M.G., Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small Molecule Hetero- and Carbo-Cyclic Pyrolysis Products, J. Org. Chem. (2020), 85, 4583-4593. https://doi.org/10.1021/acs.joc.9b03438
Noble, B.B.; Nesvadba, P.; Coote, M.L., Mechanistic Insights into N-Acyloxyamine-Initiated Controlled Degradation of Polypropylene: The Unexpected Role of Keto-Enol Tautomerization in Carboxylate Radical Chemistry, J. Org. Chem. (2020), 85, 2338−2346. https://doi.org/10.1021/acs.joc.9b03052
Abreu, C.M.R.; Rezende, T.C.; Fonseca, A.C.; Guliashvili, T.; Bergerbit, C.; D’Agosto, F.; Yu, L.; Serra, A.C. ; Coote, M.L.; Coelho, J.F.J. Polymerization of Vinyl Chloride at Ambient Temperature using Macromolecular Design via the Interchange of Xanthate: Kinetic and Computational Studies, Macromolecules, (2020), 53, 190-202. https://doi.org/10.1021/acs.macromol.9b01949
Blyth, M.T.; Noble, B.B.; Russell, I.C.; Coote, M.L. Oriented Internal Electrostatic Fields Cooperatively Promote Ground & Excited State Reactivity: A Case Study in Photochemical CO2 Capture, J. Am. Chem. Soc., (2020), 142, 606-613. https://doi.org/10.1021/jacs.9b12186
Nothling, M.; Xiao, Z.; Hill, N.; Blyth, M.T.; Bhaskaran, A.; Sani, M.; Espinosa-Gomez, A.; Ngov, K.; White, J.; Buscher, T.; Separovic, F.; O’Mara, M.; Coote, M.L.; Connal, L.A., A Multi-Functional Surfactant Catalyst Inspired by Hydrolases, Science Advances (2020), 6, eaaz0404. https://dx.doi.org/10.1126/sciadv.aaz0404
Zhang, J.; Darwish, N.; Coote, M.L.; Ciampi, S., Static Electrification of Plastics under Friction: The Position of Engineering-Grade Polyethylene Terephthalate in the Triboelectric Series, Adv. Eng. Mater. (2020), 22, 1901201. https://doi.org/10.1002/adem.201901201
Noble, B.B.; Coote, M.L., Isotactic regulation in the radical polymerization of calcium methacrylate: Is multiple chelation the key to stereocontrol? J. Polym. Sci. A Polym. Chem., (2020) 58 52-61.http://dx.doi.org/10.1002/pola.29324
Doan, V.; Noble, B.B.; Fung, A.K.K.; Coote, M.L. Rational Design of Highly Activating Ligands for Cu-based Atom Transfer Radical Polymerization, J. Org. Chem. (2019) 84, 15624-15632. https://doi.org/10.1021/acs.joc.9b02915
Xu, L.; Coote, M.L., Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling Factors, J. Chem. Theory Comput., (2019) 15, 6958-6967. https://doi.org/10.1021/acs.jctc.9b00888
Hill, N.S.; Coote, M.L., A comparison of methods for theoretical photochemistry: Applications, successes and challenges, Annual Reports in Computational Chemistry, Chapter 7, Volume 15, 2019, Pages 203-285https://doi.org/10.1016/bs.arcc.2019.08.008
Norcott, P.L.; Hammill, C.L.; Noble, B.B.; Robertson, J.C.; Olding, A.; Bissember, A.C.; Coote, M.L., TEMPO–Me: An Electrochemically Activated Methylating Agent, J. Am. Chem. Soc., (2019) 141, 15450−15455.http://dx.doi.org/10.1021/jacs.9b08634
Peiris, C.R.; Vogel, Y.; Le Brun, A.P.; Aragonès, A.C.; Coote, M.L.; Díez-Pérez, I.; Ciampi, S.; Darwish, N., Metal‒single-molecule‒semiconductor junctions formed by a radical reaction bridging gold and silicon electrodes J. Am. Chem. Soc., (2019) 141, 14788−14797. http://dx.doi.org/10.1021/jacs.9b07125
Xu, L.; Coote, M.L., Methods to Improve the Calculations of SMD Solvation Free Energies and Associated Aqueous pKa Values: Comparison between Choosing an Optimal Theoretical Level, Solute Cavity Scaling and Using Explicit Solvent Molecules J. Phys. Chem. A, (2019) 123, 7430−7438. http://dx.doi.org/10.1021/acs.jpca.9b04920
Rogers, F.J.M.; Coote, M.L., Computational Assessment of Verdazyl Derivatives for Electrochemical Generation of Carbon-Centered Radicals J. Phys. Chem. C, (2019) 123, 20174−20180.http://dx.doi.org/10.1021/acs.jpcc.9b06288
Hill, N.S.; Coote, M.L., Strategies for Red-Shifting Type I Photoinitiators: Internal Electric Fields vs Lewis Acids vs Increasing Conjugation Aust. J. Chem., (2019) 72, 627-632. http://dx.doi.org/10.1071/CH19262
Crisp, A.L.; Noble, B.B.; Schwartz, B.D.; Willis, A.C.;Coote, M.L.; Banwell, M.G., The Synthesis, Structural Characterisation and Chemical Manipulation of the [6+3]Cycloadduct Derived from α‐Tropolone O‐Methyl Ether and Trimethylene Asian J. Org. Chem., (2019) 8, 1458-1467. http://dx.doi.org/10.1002/ajoc.201900334
Zhang, J.; Lalevée, J.; Hill, N.S.; Peng, X.; Zhu, D.; Kiehl, J.; Morlet-Savary, F.; Stenzel, M.H.; Coote, M.L.; Xiao, P., Photoinitiation Mechanism and Ability of Monoamino-Substituted Anthraquinone Derivatives as Cationic Photoinitiators of Polymerization under LEDs Macromol. Rapid Commun., (2019) 40, 1900234.http://dx.doi.org/10.1002/marc.201900234
Mater, A.C; Coote, M.L., Deep Learning in Chemistry J. Chem. Inf. Model., (2019) 59, 2545-2559.http://dx.doi.org/10.1021/acs.jcim.9b00266
Fang, C.; Fantin, M.; Pan, X.; de Fiebre, K.; Coote, M.L.; Matyjaszewski, K.; Liu, P., Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP) J. Am. Chem. Soc., (2019) 141, 7486−7497. http://dx.doi.org/10.1021/jacs.9b02158
Rogers, F.J.M.; Coote, M.L., A Computational Evaluation of the Oxidative Cleavage of Triazine Derivatives for Electrosynthesis J. Phys. Chem. C, (2019) 123, 10306–10310. http://dx.doi.org/10.1021/acs.jpcc.9b02272
Matioszek, D.; Mazières, S.; Brusylovets, O.; Lin, C.Y.; Coote, M.L.; Destarac, M.; Harrisson, S., Experimental and theoretical comparison of addition-fragmentation pathways of diseleno- and dithiocarbamate RAFT agentsMacromolecules, (2019) 52, 3376−3386. http://dx.doi.org/10.1021/acs.macromol.9b00214
Noble, B.B.; Norcott, P.L.; Hammill, C.L.; Ciampi, S.; Coote, M.L., The Mechanism of Oxidative Alkoxyamine Cleavage: The Surprising Role of Solvent and Supporting Electrolyte J. Phys. Chem. C, (2019) 123, 10300–10305.http://dx.doi.org/10.1021/acs.jpcc.9b01832
Wang, G.; Hill, N.S.; Zhu, D.; Xiao, P. Coote, M.L.; Stenzel, M.H. An Efficient Photoinitiating System Based on Diaminoanthraquinone for 3D Printing of Polymer/Carbon Nanotube Nanocomposites Under Visible Light ACS Appl. Polym. Mat. , (2019) 1, 1129−1135. http://dx.doi.org/10.1021/acsapm.9b00140
Robertson, J.C.; Coote, M.L.; Bissember, A.C., Synthetic applications of light, electricity, mechanical force and flow Nat. Rev. Chem., (2019) 3, 290-304. http://dx.doi.org/10.1038/s41570-019-0094-2
Zhang, J.; Rogers, F.J.M.; Darwish, N.; Gonçales, V.R.; Vogel, Y.B.; Wang, F.; Gooding, J.; Peiris, C.; Jia, G.; Veder, J.-P.; Coote, M.L.; Ciampi, S., Electrochemistry on tribocharged polymers is governed by the stability of surface charges rather than charging magnitude J. Am. Chem. Soc., (2019) 141, 5863-5870.http://dx.doi.org/10.1021/jacs.9b00297
Hammill, C.L.; Noble, B.B.; Norcott, P.L.; Ciampi, S.; Coote, M.L., Effect of Chemical Structure on the Electrochemical Cleavage of Alkoxyamines J. Phys. Chem. C, (2019) 123, 5273–5281.http://dx.doi.org/10.1021/acs.jpcc.8b12545
Blyth, M.T.; Coote, M.L., A pH-Switchable Electrostatic Catalyst for the Diels−Alder Reaction: Progress toward Synthetically Viable Electrostatic Catalysis J. Org. Chem., (2019) 84, 3, 1517-22.http://dx.doi.org/10.1021/acs.joc.8b02940
Coote, M.L.; Degirmenci, I., Theory and Applications of Thiyl Radicals in Polymer Chemistry In: Computational Quantum Chemistry, Ed. Soroush, M., Elsevier (2019) pp 165-268. ISBN: 978-0-12-815983-5
Marshall, D.L.; Gryn’ova, G.; Poad, B.L.J.; Bottle, S.E.; Trevitt, A.J.; Coote, M.L.; Blanksby, S.J., Experimental evidence for long-range stabilizing and destabilizing interactions between charge and radical sites in distonic ionsInt. J. Mass Spec., (2019) 435, 195-203. http://dx.doi.org/10.1016/j.ijms.2018.10.031
Yu, L.; Coote, M.L., Electrostatic Switching between SN1 and SN2 Pathways J. Phys. Chem. A, (2019) 123, 582–589. http://dx.doi.org/10.1021/acs.jpca.8b11579
Nothling, M.D.; Xiao, Z.; Bhaskaran, A.; Blyth, M.T.; Bennett, C.; Coote, M.L.; Connal, L.A., Synthetic Catalysts Inspired by Hydrolytic Enzymes ACS Catalysis, (2019) 9, 168-187. http://dx.doi.org/10.1021/acscatal.8b03326
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