Publications

Below are the latest publications from the Tuttle Lab.
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  • 137. Minimal peptoid dynamics inform self-assembly propensity

    Swanson, H. W. A.; Lau, K. H. A.; Tuttle, T.

    J. Phys. Chem. B 2023 127 10601

  • 136. Predicting lipid eutectics using coarse-grained molecular dynamics

    Cordina, R. J.; Smith, B.; Tuttle, T.

    J. Phys. Chem. B 2023 127 10236

  • 135. [3+ 2]‐Cycloaddition Reactions of gem‐Difluorocyclopropenes with Azomethine Ylides–Access to Novel Fluorinated Scaffolds

    Chem. Eur. J. 2023, e202301861, 10.1002/chem.202301861

    Donnelly, K.; Singh, A.; Tuttle, T.; Baumann, M.

    Chem. Eur. J. 2023 e202301861

  • 134. Alkali Metal Dihydropyridines in Transfer Hydrogenation Catalysis of Imines: Amide Basicity versus Hydride Surrogacy

    Angew. Chem. Int. Ed., 2023, e202304966, 10.1002/anie.202304966

    Macdonald, P. A.; Banerjee, S,; Kennedy, A. R.; van Teijlingen, A.; Robertson, S. D.; Tuttle, T.; Mulvey, R. E.

    Angew. Chem. Int. Ed. 2023 e202304966

  • 133. Triacylglyceride Melting Point Determination Using Coarse-Grained Molecular Dynamics

    J. Comput. Chem., 2023, 44, 1795.

    Cordina, R. J.; Smith, B.; Tuttle, T.

    J. Comput. Chem. 2023 44 1795.

  • 132. Peptoid Self-Assembly: From Minimal Sequences to Functional Nanoassemblies and Biomedical Applications

    Supramolecular Nanotechnology, 2023, 10.1002/9783527834044.ch36

    Swanson, H. A. W.; El Yaagoubi, M.; Jawed, A.; Saxena, V.; Merrilees, M.; Tuttle, T.; Pandey, L. M.; Hamley, I. W.; Lau, K. H. A.

    Supramolecular Nanotechnology 2023

  • 131. Computational Modeling of 4d and 5d Transition Metal Catalysts

    Chemistry, Molecular Sciences and Chemical Engineering, 2023, 10.1016/B978-0-12-821978-2.00065-9

    Urquhart, R. J.; Tuttle, T.

    Chemistry, Molecular Sciences and Chemical Engineering 2023

  • 130. Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family

    Acc. Chem. Res., 2023, 56, 644−654

    van Teijlingen, A.; Smith, M. C.; Tuttle, T.

    Acc. Chem. Res. 2023 56 644-654

  • 129. Integrating Computation, Experiment, and Machine Learning in the Design of Peptide-Based Supramolecular Materials and Systems

    Angew. Chem. Int. Ed., 2023, 62, e202218067

    Ramakrishnan, M.; van Teijlingen, A.; Tuttle, T.

    Angew. Chem. Int. Ed. 2023 62 e202218067

  • 128. COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides

    Acc. Chem. Res. 2023, 19, 4, 1333-1341

    Cordina, R. J.; Smith, B.; Tuttle, T.

    J. Chem. Theory Comput. 2023 19 1333-1341

  • 127. Rapid Automated Quantification of Triacylglyceride Crystallinity in Molecular Dynamics Simulations

    J. Chem. Inf. Model. 2022, 62, 22, 5601–5606

    Cordina, R. J.; Smith, B.; Tuttle, T.

    J. Chem. Inf. Model. 2022 62 5601-5606

  • 126. Catalytic hydrophosphination of alkynes using structurally diverse sodium diphenylphosphide donor complexes

    Cell Reports Physical Science., 2022, 100942

    Whitelaw, M.; Banerjee, S.; Kennedy, A.; van Teijlingen, A.; Tuttle, T.; Mulvey, R.

    Cell Reports Physical Chemistry 2022 100942

  • 125. Hydrocarbon Soluble Alkali-Metal-Aluminium Hydride Surrog[ATES]

    Chem. Eur. J. 2022, e202201085

    Banerjee S.;Macdonald P. A.; Orr S. A.; Kennedy A. R.; van Teijlingen A.; Robertson S. D.; Tuttle T.; Mulvey, R. E.

    Chemistry - A European Journal 2022 e202201085

  • 124. Disinfector-Assisted Low Temperature Reduced Graphene Oxide-Protein Surgical Dressing for the Postoperative Photothermal Treatment of Melanoma

    Adv. Funct. Mater. 2022, 2205802.

    Wu, Y.; Yang, J.; van Teijlingen, A.; Berardo, A.; Corridori, I.; Feng, J.; Xu, J.; Titirici, M.-M.; Rodriguez-Cabello, J. C.; Pugno, N. M.; Sun, J.; Wang, W.; Tuttle, T.; Mata, A.

    Adv. Funct. Mater. 2022 2205802.

  • 123. Constant pH Coarse-Grained Molecular Dynamics with Stochastic Charge Neutralization

    J. Phys. Chem. Lett. 2022, 13, 4046.

    van Teijlingen, A.; Swanson, H. W. A.; Lau, K. H. A.; Tuttle, T.

    J. Phys. Chem. Lett. 2022 13 4046.

  • 122. Directed discovery of tetrapeptide emulsifiers

    Front. Chem. 2022, 10, 822868.

    Scott, G. G.; Börner, T.; Leser, M. E.; Wooster, T. J.; Tuttle, T.

    Front. Chem. 2022 10 822868.

  • 121. Expanding the Conformational Landscape of Minimalistic Tripeptides by Their O-Glycosylation

    J. Am. Chem. Soc. 2021, 143, 19703.

    Brito, A.; Dave, D.; Lampel, A.; Castro, V. I. B.; Kroiss, D.; Reis, R. L.; Tuttle, T.; Ulijn, R. V.; Pires, R. A.; Pashkuleva, I.

    J. Am. Chem. Soc. 2021 143 19703

  • 120. Radical and Ionic Mechanisms in Rearrangements of o-Tolyl Aryl Ethers and Amines Initiated by the Grubbs–Stoltz Reagent, Et3SiH/KOtBu

    Molecules, 2021, 26, 6879.

    Kolodziejczak, K.; Stewart, A. J.; Tuttle, T.; Murphy, j. A.

    Molecules 2021 26 6879

  • 119. Understanding the dopant induced effects on SFX-MeOTAD for perovskite solar cells: a spectroscopic and computational investigation

    J. Mater. Chem. C 2021, 9, 16226.

    Gunn, F.; Ghosh, P.; Maciejczyk, M.; Cameron, J.; Dennis Nordlund, D.; Krishnamurthy, S.; Tuttle, T.; Skabara, P.; Robertson, N.; Ivaturi, A.

    J. Mater. Chem. C. 2021 9 16226.

  • 118. Reproduction of macroscopic properties of unsaturated triacylglycerides using a modified NERD force field

    J. Mol. Graph. Model. 2021, 108, 107996.

    Cordina, R. J.; Smith, B.; Tuttle, T.

    J. Mol. Graph. Model. 2021 108 107996.

  • 117. Beyond Tripeptides: Two-Step Active Machine Learning for Very Large Data sets

    J. Chem. Theory Comput. 2021, 17, 3221.

    van Teijlingen, A.; Tuttle, T.

    J. Chem. Theory Comput. 2021 17 3221.

  • 116. Catalyst design in C–H activation: a case study in the use of binding free energies to rationalise intramolecular directing group selectivity in iridium catalysis

    Chem. Sci., 2021, 12, 6747.

    Kerr, W. J.; Knox, G. J.; Reid, M.; Tuttle, T.

    Chem. Sci. 2021 12 6747.

  • 115. Mechanistic insights of evaporation-induced actuation in supramolecular crystals

    Nature Mater. 2021, 20, 403.

    Piotrowska, R.; Hesketh, T.; Wang, H.; Martin, A. R. G.; Bowering, D.; Zhang, C.; Hu, C. T.; McPhee, S. A.; Wang, T.; Park, Y.; Singla, P.; McGlone, T.; Florence, A.; Tuttle, T.; Ulijn, R. V.; Chen, X.

    Nature Mater. 2021 20 403.

  • 114. Structurally Defined Ring-Opening and Insertion of Pinacolborane into Aluminium-Nitrogen Bonds of Sterically Demanding Dialkylaluminium Amides.

    Eur. J. Inor. Chem. 2021, 50.

    Pollard, V. A.; Kennedy, A. R.; McLellan, R.; Ross, D.; Tuttle, T.; Mulvey, R. E.

    Eur. J. Inorg. Chem. 2021 50.

  • 113. Proton‐Conductive Melanin‐Like Fibers through Enzymatic Oxidation of a Self‐Assembling Peptide.

    Adv. Mater. 2020, 32, 2003511.

    Reddy, S. M. M.; Raßlenberg, E.; Sloan‐Dennison, S.; Hesketh, T.; Silberbush, O.; Tuttle, T.; Smith, E.; Graham, D.; Faulds, K.; Ulijn, R. V.; Ashkenasy, N.; Lampel, A.

    Adv. Mater. 2020 32 2003511.

  • 112. Computationally-Guided Development of a Chelated NHC-P Iridium(I) Complex for the Directed Hydrogen Isotope Exchange of Aryl Sulfones

    ACS Catal. 2020, 10, 11120.

    Kerr, W. J.; Knox, G. J.; Reid, M.; Tuttle, T.; Bergare, J.; Bragg, R. A.

    ACS Catal 2020 10 11120.

  • 111. Computational Study on the Boundary Between the Concerted and Stepwise Mechanism of Bimolecular SNAr Reactions

    J. Am. Chem. Soc. 2020, 142, 14871.

    Rohrbach, S.; Murphy, J. A.; Tuttle, T.

    J. Am. Chem. Soc. 2020 142 14871

  • 110. Combinatorial discovery and validation of heptapeptides with UTP‐binding induced structure

    ChemSystemsChem 2020, 2, e2000025

    Kroiss, D.; Aramini, J. M.; Ragoonath, S.; Ulijn, R. V.; Tuttle, T.

    ChemSystemsChem 2020 2 e2000025

  • 109. Benzylic C−H Functionalisation by [Et3SiH+KOtBu] leads to Radical Rearrangements in o‐ tolyl Aryl Ethers, Amines and Sulfides

    Adv. Synth. Catal. 2020, 362, 2260.

    Arokianathar, J. N.; Kolodziejczak, K.; Bugden, F. E.; Clark, K. F.; Tuttle, T.; Murphy, J. A.

    Adv. Synth. Catal. 2020 362 2260.

  • 108. New reductive rearrangement of N-arylindoles triggered by the Grubbs–Stoltz reagent Et3SiH/KOtBu.

    Chem. Sci. 2020, 11, 3719.

    Smith, A. J.; Dimitrova, D.; Arokianathar, J. N.; Kolodziejczak, K.; Young, A.; Allison, M.; Poole, D. L.; Leach, S. G.; Parkinson, J. A.; Tuttle, T.; Murphy, J. A.

    Chem. Sci. 2020 11 3719.

  • 107. The Natural Product Lepidiline A as an N-Heterocyclic Carbene Ligand Precursor in Complexes of the Type [Ir(cod)(NHC)PPh3)]X: Synthesis, Characterisation, and Application in Hydrogen Isotope Exchange Catalysis

    Catalysts, 2020, 10, 161.

    Cochrane, A. R.; Kennedy, A. R.; Kerr, W. J.; Lindsay, D. M.; Reid, M.; Tuttle, T.

    Catalysts 2020 10 161.

  • 106. N‐Silylation of Amines Mediated by Et3SiH/KOtBu

    HCA, 2019, 102, e1900235

    Palumbo, F.; Rohrbach, S.; Tuttle, T.; Murphy, J. A.

    HCA 2019 102 e1900235.

  • 105. Concerted Nucleophilic Aromatic Substitution Reactions

    Angew. Chem. Int. Ed. 2019, 58, 16368.

    Rohrbach, S.; Smith, A. J.; Pang, J. H.; Poole, D. L.; Tuttle, T.; Chiba, S.; Murphy, J. A.

    Angew. Chem. Int. Ed. 2019 58 16368.

  • 104. Lithium‐Aluminate‐Catalyzed Hydrophosphination Applications

    Agnew. Chem. Int. Ed. 2019, 58, 12291.

    Pollard, V. A.; Young, A.; McLellan, R.; Kennedy, A. R.; Tuttle, T.; Mulvey, R. E.

    Agnew. Chem. Int. Ed. 2019 58 12291.

  • 103. Catalyst: Can Systems Chemistry Unravel the Mysteries of the Chemical Origins of Life?

    CHEM, 2019, 5, 1917.

    Kroiss, D.; Ashkenasy, G.; Braunschweig, A. B.; Tuttle, T.; Ulijn, R. V.

    CHEM 2019 5 1917.

  • 102. Neutral Organic Super Electron Donors Made Catalytic

    Angew. Chem. Int. Ed. 2019, 58, 11454.

    Rohrbach, S.; Shah, R. S.; Tuttle, T.; Murphy, J. A.

    Angew. Chem. Int. Ed. 2019 58 11454.

  • 101. Unbiased Discovery of Dynamic Peptide‐ATP Complexes

    ChemSystemsChem, 2019, 1, 7.

    Kroiss, D.; Aramini, J. M.; McPhee, S. A.; Tuttle, T.; Ulijn, R. V.

    ChemSystemsChem 2019 1 7.

  • 100. Computational prediction of tripeptide-dipeptide co-assembly

    Mol. Phys. 2019, 117, 1151.

    Moreira, I. P.; Scott, G. G.; Ulijn, R. V.; Tuttle, T.

    Mol. Phys. 2019 117 1151

  • 99. Dual Roles for Potassium Hydride in Haloarene Reduction: CSNAr and Single Electron Transfer Reduction via Organic Electron Donors Formed in Benzene

    J. Am. Chem. Soc. 2018, 140, 11510.

    Barham, J. P.; Dalton, S. E.; Allison, M.; Nocera, G.; Young, A.; John, M. P.; McGuire, T.; Campos, S.; Tuttle, T.; Murphy, J. A.

    J. Am. Chem. Soc. 2018 140 11510

  • 98. Electron Transfer Reactions: KOtBu (but not NaOtBu) Photoreduces Benzophenone under Activation by Visible Light

    J. Am. Chem. Soc. 2018 140 9751.

    Nocera, G.; Young, A; Palumbo, F.; Emery, K. J.; Coulthard, G.; McGuire, T.; Tuttle, T.; Murphy, J. A.

    J. Am. Chem. Soc. 2018 140 9751.

  • 97. Enhanced iridium complexes for elevated substrate applicability in isotope labelling processes.

    J. Label Compd. Radiopharm. 2018, 61, 465.

    Knox, G.; Kerr, W. J.; Tuttle, T.; Bragg, R.

    J. Label Compd. Radiopharm. 2018 61 465

  • 96. Guiding principles for peptide nanotechnology through directed discovery

    Chem. Soc. Rev. 2018, 47, 3737.

    Lampel, A.; Ulijn, R. V.; Tuttle, T.

    Chem. Soc. Rev. 2018 47 3737.

  • 95. KOtBu as a Single Electron Donor? Revisiting the Halogenation of Alkanes with CBr4 and CCl4

    Molecules 2018, 23, 1055.

    Emery, K. J.; Young, A.; Arokianathar, J. N.; Tuttle, T.; Murphy, J. A.

    Molecules 2018 23 1055.

  • 94. A Computational Study of Anionic Alkoxide–Allene and Amide–Allene Cyclizations

    Eur. J. Org. Chem., 2017, 6867.

    Cumine, F.; Young, A.; Reissig, H.-U.; Tuttle, T.; Murphy, J. A.

    Eur. J. Org. Chem. 2017 6867.

  • 93. Evidence of single electron transfer from the enolate anion of an N,N′-dialkyldiketopiperazine additive in BHAS coupling reactions

    Org. Biomol. Chem., 2017, 15, 8810.

    Emery, K. J.; Tuttle, T.; Murphy, J. A.

    Org. Biomol. Chem. 2017 15 8810.

  • 92. Electron-Transfer and Hydride-Transfer Pathways in the Stoltz–Grubbs Reducing System (KOtBu/Et3SiH)

    Angew. Chem. Int. Ed. 2017 56 13747.

    Smith, A. J.; Young, A.; Rohrbach, S.; O'Connor E. F.; Allison, M.; Wang, H-S.; Poole, D. L.; Tuttle, T.; Murphy, J. A.

    Angew. Chem. Int. Ed. 2017 56 13747.

  • 91. Site-Selective Deuteration of N-Heterocycles via Iridium-Catalyzed Hydrogen Isotope Exchange

    ACS Catal., 2017, 7 (10), pp 7182–7186

    Kerr, W. J.; Lindsay, D. M.; Owens, P. K.; Reid, M.; Tuttle, T.; Campos, S.

    ACS Catal. 2017 7 7182.

  • 90. New Insights into the Catalytic Mechanism of Aldose Reductase: A QM/MM Study

    ACS Omega, 2017, 2 (9), pp 5737–5747

    Dreanic, M. P.; Edge, C. M.; Tuttle, T.

    ACS Omega 2017 2 5737.

  • 89. Cooperative, ion-sensitive co-assembly of tripeptide hydrogels

    Chem. Commun. 2017, 53, 9562.

    Abul-Haija, Y. M.; Scott, G. G.; Sahoo, J. K.; Tuttle, T.; Ulijn, R. V.

    Chem. Commun. 2017 53 9562.

  • 88. Molecular dynamics simulations reveal disruptive self-assembly in dynamic peptide libraries

    Org. Biomol. Chem., 2017, 15, 6541-6547

    Sasselli, I. R.; Moreira, I. P.; Ulijn, R. V.; Tuttle, T.

    Org. Biomol. Chem. 2017 15 6541.

  • 87. Iridium-Catalyzed Formyl-Selective Deuteration of Aldehydes

    Angew. Chem. Int. Ed. 2017 56 7808.

    Kerr, W. J.; Reid, M.; Tuttle, T.

    Angew. Chem. Int. Ed. 2017 56 7808.

  • 86. Polymeric peptide pigments with sequence-encoded properties

    Science 2017 356 1064.

    Lampel, A.; McPhee, S. A.; Park, H-A.; Scott, G. G.; Humagain, S.; Hekstra, D. R.; Barney Yoo, B.; Frederix, P. W. J. M.; Li, T-D.; Abzalimov, R. R.; Greenbaum, S. G.; Tuttle, T.; Hu, C.; Betting, C. J.; Ulijn, R. V.

    Science 2017 356 1064.

  • 85. Biocatalytic Self-Assembly of Tripeptide Gels and Emulsions

    Langmuir 2017 33 4986.

    Moreira, I. P.; Piskorz, T. K.; van Esch, J. H.; Tell Tuttle, T.; Ulijn, R. V.

    Langmuir 2017 33 4986.

  • 84. A study of diketopiperazines as electron-donor initiators in transition metal-free haloarene–arene coupling.

    Org. Biomol. Chem. 2017 15 3324.

    Cumine, F.; Zhou, S.; Tuttle, T.; Murphy, J. A.

    Org. Biomol. Chem. 2017 15 3324.

  • 83. An Ambipolar BODIPY Derivative for a White Exciplex OLED and Cholesteric Liquid Crystal Laser toward Multifunctional Devices

    ACS Appl. Mater. Interfaces 2017 9 4750.

    Chapran, M.; Angioni, E.; Findlay, N. J.; Breig, B.; Vladyslav Cherpak, V.; Stakhira, P.; Tuttle, T.; Volyniuk, D.; Grazulevicius, J. V.; Nastishin, Y. A.; Lavrentovich, O. D.; Skabara, P. J.

    ACS Appl. Mater. Interfaces 2017 9 4750.

  • 82. Effect of solvent on radical cyclisation pathways: SRN1 vs. aryl–aryl bond forming mechanisms

    Org. Biomol. Chem. 2017 15 920.

    Emery, K. J.; Murphy, J. A.; Tuttle, T.

    Org. Biomol. Chem. 2017 15 920.

  • 81. C–C bond-forming reactions of ground-state aryl halides under reductive activation

    Tetrahedron 2016 72 7875.

    Emery, K. J.; Tuttle, T.; Kennedy, A. R.; Murphy, J. A.

    Tetrahedron 2016 72 7875.

  • 80. Using experimental and computational energy equilibration to understand hierarchical self-assembly of Fmoc-dipeptide amphiphiles

    Soft Matter 2016 12 8307.

    Sasselli, I. R.; Pappas, C. G.; Matthews, E.; Wang, T.; Hunt, N. T.; Ulijn, R. V.; Tuttle, T.

    Soft Matter 2016 12 8307.

  • 79. Elucidation of the bonding of a near infrared dye to hollow gold nanospheres – a chalcogen tripod.

    Chem. Sci. 2016 7 5160.

    Kearns, H.; Sengupta, S.; Ramos Sasselli, I.; Bromley III, L.; Faulds, K.; Tuttle, T.; Bedics, M. A.; Detty, M. R.; Velarde, L.; Graham, D.; Smith, W. E.

    Chem. Sci. 2016 7 5160.

  • 78. KOtBu: A Privileged Reagent for Electron Transfer Reactions?

    J. Am. Chem. Soc. 2016 138 7402.

    Barham, J. P.; Coulthard, G.; Emery, K. J.; Doni, E.; Cumine, F.; Nocera, G.; John, M. P.; Berlouis, L. E. A.; McGuire, T.; Tuttle, T.; Murphy, J. A.

    J. Am. Chem. Soc. 2016 138 7402.

  • 77. A single emitting layer white OLED based on exciplex interface emission

    J. Mater. Chem. C 2016 4 3851.

    Angioni, E.; Chapran, M.; Ivaniuk, K.; Kostiv, N.; Charpak, V.; Stakhira, P.; Lazauskas, A.; Tamulevičius, S.; Volyniuk, D.; Findlay, N. J.; Tuttle, T.; Grazulevicius, J. D.; Skabara, P. J.

    J. Mater. Chem. C 2016 4 3851.

  • 76. Supramolecular Fibers in Gels Can Be at Thermodynamic Equilibrium: A Simple Packing Model Reveals Preferential Fibril Formation versus Crystallization

    ACS Nano 2016 10 2661.

    Ivan Ramos Sasselli; Peter J. Halling; Rein V. Ulijn; Tell Tuttle

    ACS Nano 2016 10 2661.

  • 75. Enzymatically activated emulsions stabilised by interfacial nanofibre networks

    Soft Matter 2016 12 2623.

    Inês P. Moreira; Ivan Ramos Sasselli; Daniel A. Cannon; Meghan Hughes; Dimitrios A. Lamprou; Tell Tuttle; Rein V. Ulijn

    Soft Matter 2016 12 2623.

  • 74. Tripeptide Emulsifiers

    Adv. Materials 2016 28 1329

    Gary G. Scott; Paul J. McKnight; Tell Tuttle; Rein V. Ulijn

    Adv. Materials 2016 28 1329

  • 73. CHARMM force field parameterization protocol for self-assembling peptide amphiphiles: the Fmoc moiety

    Phys. Chem. Chem. Phys. 2016 18 4659.

    Ivan Ramos Sasselli; Rein V. Ulijn; Tell Tuttle

    Phys. Chem. Chem. Phys. 2016 18 4659.

  • 72. Predicting the reducing power of organic super electron donors

    RSC Advances 2016 6 11335.

    Greg M. Anderson; Iain Cameron; John A. Murphy; Tell Tuttle

    RSC Advances 2016 6 11335.

  • 71. Influence of Solvent in Controlling Peptide−Surface Interactions

    J. Phys. Chem. Lett. 2015 6 3944.

    Cannon, D. A.; Ashkenasy, N.; Tuttle, T.

    J. Phys. Chem. Lett. 2015 6 3944.

  • 70. Thiazole-induced rigidification in substituted dithieno-tetrathiafulvalene: the effect of planarisation on charge transport properties

    Beilstein J. Org. Chem. 2015 11 1148

    Taylor, R. G. D.; Cameron, J.; Wright, I. A.; Thomson, N.; Avramchenko, O.; Kanibolotsky, A. L.; Inigo, A. R.; Tuttle, T.; Skabara, P. J.

    Beilstein J. Org. Chem. 2015 11 1148

  • 69. Iridium-Catalysed ortho-Directed Deuterium Labelling of Aromatic Esters—An Experimental and Theoretical Study on Directing Group Chemoselectivity

    Devlin, J.; Kerr, W. J.; Lindsay, D. M.; McCabe, T. J. D.; Reid, M.; Tuttle, T.

    Molecules 2015 20 11676

  • 68. Computational Approaches to Understanding the Self-assembly of Peptide-based Nanostructures

    The interest in the self-assembly of peptide-based systems has grown significantly over the past 10–15 years, as more and more applications are shown to benefit from the useful properties of the amino acid based monomers. With the desire to apply the principals of self-assembly to systems within new application areas, there has been an increasing […]

    Tuttle, T.

    Isr. J. Chem. 2015 55 724

  • 67. Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels

    Peptides that self-assemble into nanostructures are of tremendous interest for biological, medical, photonic and nanotechnological applications. The enormous sequence space that is available from 20 amino acids probably harbours many interesting candidates, but it is currently not possible to predict supramolecular behaviour from sequence alone. Here, we demonstrate computational tools to screen for the aqueous […]

    Frederix, P. W. J. M.; Scott, G. G.; Abul-Haija, Y. M.; Kalafatovic, D.; Pappas, C. G.; Javid, N.; Hunt, N. T.; Ulijn, R. V.; Tuttle, T.

    Nature Chem. 2015 7 30

  • 66. Iridium-Catalyzed C-H Activation and Deuteration of Primary Sulfonamides: an Experimental and Computational Study

    Iridium-catalyzed C-H activation and ortho-hydrogen isotope exchange is an important technology for allowing access to labelled organic substrates and aromatic drug molecules, and for the development of further C-H activation processes in organic synthesis. The use of [(COD)Ir(NHC)Cl] complexes (NHC = N-heterocyclic carbene) in the ortho-deuteration of primary sulfonamides under ambient conditions is reported. This […]

    Kerr, W. J.; Reid, M.; Tuttle, T.

    ACS Catal. 2015 5 402

  • 65. Identifying the Roles of Amino Acids, Alcohols and 1,2-Diamines as Mediators in Coupling of Haloarenes to Arenes

    Coupling of haloarenes to arenes has been facilitated by a diverse range of organic additives in the presence of KOtBu or NaOtBu since the first report in 2008. Very recently, we showed that the reactivity of some of these additives (e.g. compounds 6 and 7 in Figure 1) could be explained by the formation of […]

    Shengze Zhou, S.-z.; Doni, E.; Anderson, G. M.; Kane, R. G.; MacDougall, S. W.; Ironmonger, V.; Tuttle, T.; Murphy, J. A.

    J. Am. Chem. Soc. 2014 136 17818

  • 64. Synthesis and properties of novel star-shaped oligofluorene conjugated systems with BODIPY cores

    Beilstein J. Org. Chem. 2014 10 2704

    Orofino-Pena, C.; Cortizo-Lacalle, D.; Cameron, J.; Sajjad, M. T.; Manousiadis, P. P.; Findlay, N. J.; Kanibolotsky, A. L.; Amarasinghe, D.; Skabara, P. J.; Tuttle, T.; Turnbull, G. A.; Samuel, I. D. W.

    Beilstein J. Org. Chem. 2014 10 2704

  • 63. Solution processable diketopyrrolopyrrole (DPP) cored small molecules with BODIPY end groups as novel donors for organic solar cells

    Two novel triads based on a diketopyrrolopyrrole (DPP) central core and two 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) units attached by thiophene rings have been synthesised having high molar extinction coefficients. These triads were characterised and used as donor materials in small molecule, solution processable organic solar cells. Both triads were blended with PC71BM as an acceptor in different […]

    Cortizo-Lacalle, D.; Howells, C. T.; Pandey, U. K.; Cameron, J.; Findlay, N. J.; Inigo, A. R.; Tuttle, T.; Skabara, P. J.; Samuel, I. D. W.

    Beilstein J. Org. Chem. 2014 10 2683

  • 62. Discovery of Catalytic Phages by Biocatalytic Self-Assembly

    Discovery of new catalysts for demanding aqueous reactions is challenging. Here, we describe methodology for selection of catalytic phages by taking advantage of localized assembly of the product of the catalytic reaction that is screened for. A phage display library covering 109 unique dodecapeptide sequences is incubated with nonassembling precursors. Phages which are able to […]

    Maeda, Y.; Javid, N.; Duncan, K.; Birchall, L.; Gibson, K. F.; Cannon, D.; Kanetsuki, Y.; Knapp, C.; Tuttle, T.; Ulijn, R. V.; Matsui, H.

    J. Am. Chem. Soc. 2014 136 15893

  • 61. The Synthesis of Highly Active Iridium(I) Complexes and their Application in Catalytic Hydrogen Isotope Exchange

    Brown, J. A.; Cochrane, A. R.; Irvine, S.; Kerr, W. J.; Mondal, B.; Parkinson, J. A.; Paterson, L. C.; Reid, M.; Tuttle, T.; Andersson, S.; Nilsson, G. N.

    Adv. Synth. Catal. 2014 356 3551

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