2026
Synthesis of Macrocyclic Peptides via Photochemical Radical Thiol–yne Reaction
C. Williams, K. Raabe, D. Tully, D. Windisch, J. O’Brien, C. Trujillo, J. F. McGouran, M. Muttenthaler,* E. M. Scanlan*
J. Am. Chem. Soc., 2026
Neutral chiral bidentate tellurium-triazoles for enantioselective non-covalent chalcogen-bonding catalysis
L. Massold, J. O’Brien, K. Fenglet, A. C. Keuper, R. Hidalgo-León, C. Trujillo,* O. García Mancheño*
Nat. Commun., 2026
Electroreductive Cleavage of C(sp³)–N Bonds in Saturated N-Carbonyl-Heterocycles
R. Buscemi, P. Martínez-Balart, D. Bura, M. Díaz-Ruiz, J. Moreno-González, E. M. C. Pinheiro, J. J. Douglas, C. Trujillo,* G. Crisenza*
J. Am. Chem. Soc., 2026
2025
In Silico Catalyst Design Within Asymmetric Organocatalysis
I. Iribarren, T. Renningholtz, C. Trujillo*
Enantioselective Organocatalysis III (Wiley-VCH), book chapter, 2025
Reductive Radical Chain Initiation Through the Thermal Generation of Carbon Dioxide Radical Anion
E. R. X. Lim, B. D. Cooper, M. Shanmugam, J. Da Luz, E. J. L. McInnes, C. Trujillo, James. J. Douglas, M. J. James*
Nat. Synth., 2025
Understanding Ladderane Lipid Packing in Anammox Bacterial Membranes
B. Farkaš, C. Trujillo, I. Rozas*
J. Phys. Chem. B, 2025
An unexpected family of heterometallic rings {Cr6M2} with 3,5-bis(trifluoromethyl)benzoate
A. Alsuhaymi, Y. Huang, A. Brookfield, T. Renningholtz, G. Timco, S. Lockyer, G. Smith, N. Geue, R. Adams, G. Whitehead, P. Barran, C. Trujillo, D. Collison, R. J. Winpenny*
Inorg. Chem., 2025
Anti-adhesive glycoconjugate against Candida albicans: effect of the aromatic substituents in anti-fungal activity
K. Kessie, K. Doherty, L. Moreno, D. Bura, C. Trujillo*, K. Kavanagh, T. Velasco-Torrijos*
Future Med. Chem., 2025
Antiadhesive glycoconjugate metal complexes targeting pathogens Pseudomonas aeruginosa and Candida albicans
K. Wojtczak, E. Gillon, D. Bura, K. Richmond, M. Joyce, E. Caraher, K. Kessie, T. Velasco-Torrijos, C. Trujillo, A. Imberty, K. Kavanagh, J. P. Byrne*
Org. Biomol. Chem., 2025
Energetics of Carboxylate-Metal Bonds in Polymetallic Rings
N. Geue, T. Renningholtz, G. F. S. Whitehead, G. A. Timco, C. Trujillo,* P Barrran,* R. E. P. Winpenny*
Chem. Commun., 2025
2024
Oxenoid reactivity enabled by targeted photoactivation of periodate
A. Bossonnet, R. A. Garner, J. O’Brien, C. Trujillo*, A. D. Trowbridge*
Angew. Chem. Int. Ed., 2024
Computational Design for Enantioselective CO2 Capture: Asymmetric Frustrated Lewis Pairs in Epoxide Transformations
M. Ferrer, I. Iribarren, T. Renningholtz, I. Alkorta, C. Trujillo*
Beilstein J. Org. Chem., 2024
Computational Strategies for Designing Bidentate Hypervalent Iodine Catalysts in Halogen Bond-Mediated Organocatalysis
J. O’Brien, N. Melnyk, R. Shing Lee, M. James, C. Trujillo*
ChemPhysChem, 2024
Computational methods for investigating organic radical species
T. Renningholtz, E. Lim, M. James, C. Trujillo*
Org. Biomol. Chem., 2024
Computational Insights into Cinchona-Based Phase Transfer Catalysis for Asymmetric Conjugate Cyanation
I. Iribarren, M. Ferrer, I. Alkorta, C. Trujillo*
Eur. J. Org. Chem., 2024
Insights into the Palladium(II)-Catalyzed Wacker-Type Oxidation of Styrene with Hydrogen Peroxide and tert-Butyl Hydroperoxide
M. Mu, K. L. Walker, G. Sánchez-Sanz, R. M. Waymouth, C. Trujillo*, M. Muldoon*, M. Garcia-Melchor*
ACS Catal., 2024
Revisiting ion-pair interactions in phase transfer catalysis: from ionic compounds to real catalyst systems
Iñigo Iribarren, Eric Mates-Torres, Cristina Trujillo*
Dalton Trans., 2024
2023
Halogen-Bond-Based Organocatalysis Unveiled: Computational Design and Mechanistic Insights
Nika Melnyk, Marianne Rica Garcia, Cristina Trujillo*
ACS Catal., 2023
Cholinium-based ionic liquid catalysts for polyethylene terephthalate glycolysis: understanding the role of solvent and a reappraisal of the cation contribution
Diana Bura, Lorenzo Pedrini, Cristina Trujillo, Stephen Connon*
RSC Sustainability, 2023
Aryne-Enabled C-N Arylation of Anilines
Thomas Sephton, Anastasios Charitou, Jonathan M. Large, Cristina Trujillo, Sam Butterworth, Michael F. Greaney*
Angew. Chem. Int. Ed., 2023
Influence of Lewis acids on the symmetric SN2 reaction
Iñigo Iribarren, Cristina Trujillo, Goar Sánchez‑Sanz, Eric Hénon, José Elguero and Ibon Alkorta*
Theor. Chem. Acc., 2023
Traceless Thioacid-Mediated Radical Cyclization of 1,6-Dienes
Dylan M. Lynch, Mark D. Nolan, Conor Williams, Leendert Van Dalsen, Susannah H. Calvert, Fabrice Dénès, Cristina Trujillo, Eoin M. Scanlan
J. Org. Chem., 2023
Simultaneous Hydrogen Bonds with Different Binding Modes: the Acceptor “Rules” but the Donor “Chooses”
Marianne Rica Garcia, Iñigo Iribarren, Isabel Rozas, Cristina Trujillo*
Chem. Eur. J., 2023
Evolution of design approaches in asymmetric organocatalysis over the last decade
Nika Melnyk, Marianne Rica Garcia, Iñigo Iribarren, and Cristina Trujillo*
Tetrahedron Chem, 2023
2022
Efficiency and Suitability when Exploring the Conformational Space of Phase-Transfer Catalysts
Iñigo Iribarren and Cristina Trujillo*
J. Chem. Inf. Model., 2022
Application of 2D EXSY and qNMR Spectroscopy for Diastereomeric Excess Determination Following Chiral Resolution of β-Lactams
Eavan C. McLoughlin, Dr. John E. O’Brien, Dr. Cristina Trujillo, Prof. Mary J. Meegan, and Prof. Niamh M. O’Boyle
ChemistryOpen, 2022
Catalytic, asymmetric azidations at carbonyls: achiral and meso-anhydride desymmetrisation affords enantioenriched γ-lactams
Simon N. Smith, Cristina Trujillo and Stephen J. Connon
Org. Biomol. Chem., 2022
Theoretical perspectives in organocatalysis
Nika Melnyk, Iñigo Iribarren, Eric Mates-Torres and Cristina Trujillo*
Chem. Eur. J., 2022
Catalyst design within asymmetric organocatalysis
Iñigo iribarren, Marianne Rica Garcia and Cristina Trujillo
WIREs Comput. Mol. Sci., 2022
2021
Mechanistic Insights into the Organocatalytic Kinetic Resolution of Oxazinones through Alcoholysis
Cristina Trujillo*, Sarah Cronin and Stephen J. Connon
Eur. J. Org. Chem., 2021
Reactivity of Coinage Metal Hydrides for the Production of H2 Molecules
Iñigo Iribarren, Dr. Goar Sánchez-Sanz, Prof. José Elguero, Prof. Ibon Alkorta, Dr. Cristina Trujillo
ChemistryOpen, 2021
Discovery of a photochemical cascade process by flow-based interception of isomerising alkenes
Mara Di Filippo, Cristina Trujillo, Goar Sánchez-Sanz, Andrei S. Batsanov and Marcus Baumann
Chem. Sci., 2021
Evaluation of Electron Density Shifts in Noncovalent Interactions
Iñigo Iribarren, Goar Sánchez-Sanz Ibon Alkorta, José Elguero and Cristina Trujillo
J. Phys. Chem. A, 2021
An Insight into Non‐Covalent Interactions on the Bicyclo[1.1.1]pentane Scaffold
Nitika Grover, Keith J. Flanagan, Cristina Trujillo*, Christopher J. Kingsbury and Mathias O. Senge*
Eur. J. Org. Chem., 2021
2020
Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study
Ibon Alkorta, José Elguero, Cristina Trujillo and Goar Sánchez-Sanz
Int. J. Mol. Sci., 2020
Rivalry between regium and hydrogen bonds established within diatomic coinage molecules and Lewis acids/bases
Goar Sánchez-Sanz, Cristina Trujillo, Ibon Alkorta and José Elguero
ChemPhysChem, 2020
The Lewis acidities of gold(I) and gold(III) derivatives: a theoretical study of complexes of AuCl and AuCl3
Cristina Trujillo, Goar Sánchez-Sanz, José Elguero and Ibon Alkorta
Struct. Chem., 2020
Improving phase-transfer catalysis by enhancing non-covalent interactions
Iñigo Iribarren and Cristina Trujillo
Phys. Chem. Chem. Phys., 2020
Dual-binding conjugates of diaromatic guanidines and porphyrins for recognition of G-quadruplexes
J. Grover, C. Trujillo, M. Saad, G. Emandi, N. Stipaničev, S. S. R. Bernhard, A. Guédin, J. L. Mergny, M. O. Senge and I. Rozas
Org. Biomol. Chem., 2020
Regium Bonds between Silver(I) Pyrazolates Dinuclear Complexes and Lewis Bases (N2, OH2, NCH, SH2, NH3, PH3, CO and CNH)
Ibon Alkorta, Cristina Trujillo, Goar Sánchez-Sanz and José Elguero
Crystals, 2020
Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds
Iñigo Iribarren, Goar Sánchez-Sanz and Cristina Trujillo
Molecules, 2020
2019
Theoretical investigation of cyano‐chalcogen dimers and their importance in molecular recognition
Viola Previtali, Goar Sánchez–Sanz and Cristina Trujillo
ChemPhysChem, 2019
Modulating Intramolecular Chalcogen Bonds in Aromatic (thio)(seleno)phene-Based derivatives
Cristina Trujillo,* Isabel Rozas, Jose Elguero, Ibon Alkorta and Goar Sánchez-Sanz
Phys. Chem. Chem. Phys., 2019
Sequestration of CO2 by Phosphatrane Molecules
Goar Sánchez–Sanz, Ibon Alkorta*, José Elguero and Cristina Trujillo
ChemPhysChem, 2019
The base-catalysed Tamura cycloaddition reaction: calculation, mechanism, isolation of intermediates and asymmetric catalysis
Bruce Lockett-Walters, Cristina Trujillo*, Brendan Twamley and Stephen Connon*
Chem. Commun., 2019
The Steglich Rearrangement of 2‐Oxindole Derivatives Promoted by Anion‐based Nucleophilic Catalysis
Cristina Trujillo, Mili Litvajova, Sarah A. Cronin, Ryan Craig S. J. Connon
ChemCatChem, 2019
Catalytic Asymmetric γ‐Lactam Synthesis from Enolisable Anhydrides and Imines
Aarón Gutiérrez Collar, Cristina Trujillo, B. Lockett‐Walters, B. Twamley and S. J. Connon
Chem. Eur. J., 2019
Highly Enantio‐ and Diastereoselective Catalytic Asymmetric Tamura Cycloaddition Reactions
A. Gutiérrez Collar, C. Trujillo and S. J. Connon
Chem. Eur. J., 2019
Understanding regium bonds and their competition with hydrogen bonds in Au2:HX complexes
G. Sanchez-Sanz, C. Trujillo, I. Alkorta and J. Elguero
ChemPhysChem, 2019
Cyclohexane-Based Scaffold Molecules Acting as Anion Transport, Anionophores, via Noncovalent Interactions
G. Sánchez-Sanz and C. Trujillo
J. Chem. Inf. Model., 2019
Planarity or Nonplanarity: Modulating Guanidine Derivatives as α2-Adrenoceptors Ligands
C. Trujillo, A. Flood, G. Sánchez-Sanz, B. Twamley, and I. Rozas
J. Chem. Inf. Model., 2019
Cooperative Effects in Weak Interactions: Enhancement of Tetrel Bonds by Intramolecular Hydrogen Bonds
C. Trujillo, I. Alkorta, J. Elguero, G. Sánchez-Sanz
Molecules, 2019