Cristina Trujillo

发表

E2F4 as a single multifactorial target against Alzheimer’s disease

J. Frade, N. López-Sánchez, Morgan Ramón-Landreau, 2020, bioRxiv.

Catalytic Asymmetric γ-Lactam Synthesis from Enolisable Anhydrides and Imines.

B. Twamley, S. Connon, Cristina Trujillo, 2019, Chemistry.

Catalytic Asymmetric Cycloadditions between Aldehydes and Enolizable Anhydrides: cis-Selective Dihydroisocoumarin Formation.

B. Twamley, S. Connon, Cristina Trujillo, 2018, The Journal of organic chemistry.

Solvent and Substituent Effects on the Phosphine + CO2 Reaction

J. Elguero, I. Alkorta, Cristina Trujillo, 2018, Inorganics.

A theoretical study on the aromaticity of benzene and related derivatives incorporating a C–CC–C fragment

J. Elguero, Cristina Trujillo, I. Rozas, 2013 .

Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study

J. Elguero, I. Alkorta, Cristina Trujillo, 2020, International journal of molecular sciences.

Modulation of in:out and out:out conformations in [X.X'.X''] phosphatranes by Lewis acids.

J. Elguero, I. Alkorta, Cristina Trujillo, 2017, Physical chemistry chemical physics : PCCP.

Modulating intramolecular P···N pnictogen interactions.

J. Elguero, I. Alkorta, Cristina Trujillo, 2016, Physical chemistry chemical physics : PCCP.

Bisimidazoline arylamides binding to the DNA minor groove: N1-hydroxylation enhances binding affinity and selectivity to AATT sites

C. Dardonville, Cristina Trujillo, L. Lagartera, 2015 .

Improving phase-transfer catalysis by enhancing non-covalent interactions.

Cristina Trujillo, Iñigo Iribarren, 2020, Physical chemistry chemical physics : PCCP.

A theoretical model of the interaction between phosphates in the ATP molecule and guanidinium systems

V. Previtali, Cristina Trujillo, I. Rozas, 2016, Theoretical Chemistry Accounts.

An insight on the aromatic changes in closed shell icosagen, tetrel, and pnictogen phenalenyl derivatives

J. Elguero, I. Alkorta, Cristina Trujillo, 2017, Structural Chemistry.

Aromatic changes in isoelectronic derivatives of phenalenyl radicals by central carbon replacement

J. Elguero, I. Alkorta, Cristina Trujillo, 2016 .

Influence of fluoro and cyano substituents in the aromatic and antiaromatic characteristics of cyclooctatetraene.

I. Alkorta, Cristina Trujillo, I. Rozas, 2015, Physical chemistry chemical physics : PCCP.

Non-covalent interactions: complexes of guanidinium with DNA and RNA nucleobases.

J. Elguero, I. Alkorta, Cristina Trujillo, 2013, The journal of physical chemistry. B.

Simultaneous interactions of anions and cations with cyclohexane and adamantane: aliphatic cyclic hydrocarbons as charge insulators.

J. Elguero, I. Alkorta, Cristina Trujillo, 2011, The journal of physical chemistry. A.

The importance of the oxidative character of doubly charged metal cations in binding neutral bases. [Urea-M]2+ and [thiourea-M]2+ (M = Mg, Ca, Cu) complexes.

M. Yáñez, A. Lamsabhi, O. Mó, 2008, Physical chemistry chemical physics : PCCP.

Why are selenouracils as basic as but stronger acids than uracil in the gas phase?

M. Yáñez, O. Mó, Cristina Trujillo, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

Discovery of a photochemical cascade process by flow-based interception of isomerising alkenes†

M. Baumann, A. Batsanov, Cristina Trujillo, 2021, Chemical science.

A theoretical NMR study of the structure of benzynes and some of their carbocyclic and heterocyclic analogs

J. Elguero, I. Alkorta, Cristina Trujillo, 2012 .

Thiophene/thiazole-benzene replacement on guanidine derivatives targeting α2-Adrenoceptors.

Cristina Trujillo, C. Muguruza, L. Callado, 2017, European journal of medicinal chemistry.

Efficiency and Suitability when Exploring the Conformational Space of Phase-Transfer Catalysts

Cristina Trujillo, Iñigo Iribarren, 2022, J. Chem. Inf. Model..

The base-catalysed Tamura cycloaddition reaction: calculation, mechanism, isolation of intermediates and asymmetric catalysis.

B. Twamley, S. Connon, Cristina Trujillo, 2019, Chemical communications.

Highly Enantio- and Diastereoselective Catalytic Asymmetric Tamura Cycloaddition Reactions.

S. Connon, Cristina Trujillo, Aarón Gutiérrez Collar, 2019, Chemistry.

Divergent pathways and competitive mechanisms of metathesis reactions between 3-arylprop-2-ynyl esters and aldehydes: an experimental and theoretical study.

Ieva Karpavičienė, I. Čikotienė, U. Jahn, 2014, Chemistry.

The Lewis acidities of gold(I) and gold(III) derivatives: a theoretical study of complexes of AuCl and AuCl3

J. Elguero, I. Alkorta, Cristina Trujillo, 2020, Structural Chemistry.

Catalytic, asymmetric azidations at carbonyls: achiral and meso-anhydride desymmetrisation affords enantioenriched γ-lactams.

S. Connon, Cristina Trujillo, Simon N Smith, 2022, Organic & biomolecular chemistry.

Catalytic asymmetric Tamura cycloadditions involving nitroalkenes.

S. Connon, Cristina Trujillo, F. Manoni, 2017, Organic & biomolecular chemistry.

Evolution of design approaches in asymmetric organocatalysis over the last decade

Cristina Trujillo, Iñigo Iribarren, Nika Melnyk, 2023, Tetrahedron Chem.

Catalyst design within asymmetric organocatalysis

Cristina Trujillo, Iñigo Iribarren, Marianne Rica Garcia, 2022, WIREs Computational Molecular Science.

Application of 2D EXSY and qNMR Spectroscopy for Diastereomeric Excess Determination Following Chiral Resolution of β‐Lactams

M. Meegan, N. O’Boyle, Cristina Trujillo, 2022, ChemistryOpen.

A Study of π-π Stacking Interactions and Aromaticity in Polycyclic Aromatic Hydrocarbon/Nucleobase Complexes.

Cristina Trujillo, Goar Sánchez‐Sanz, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

A DFT mechanistic study of the organocatalytic asymmetric reaction of aldehydes and homophthalic anhydride.

S. Connon, Cristina Trujillo, I. Rozas, 2017, Chemical communications.

Resonance assisted hydrogen bonds in open-chain and cyclic structures of malonaldehyde enol: A theoretical study

M. Yáñez, J. Elguero, I. Alkorta, 2013 .

Intramolecular pnicogen interactions in phosphorus and arsenic analogues of proton sponges.

J. Elguero, I. Alkorta, Cristina Trujillo, 2014, Physical chemistry chemical physics : PCCP.

Structure, binding energy and chiral discrimination in oxathiirane homodimers

I. Alkorta, Cristina Trujillo, Goar Sánchez‐Sanz, 2016 .

On the Bonding of Selenocyanates and Isoselenocyanates and Their Protonated Derivatives.

M. Yáñez, B. Silvi, O. Mó, 2008, Journal of chemical theory and computation.

Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds

Cristina Trujillo, Goar Sánchez‐Sanz, Iñigo Iribarren, 2020, Molecules.

Improvement of Anion Transport Systems by Modulation of Chalcogen Interactions: The influence of solvent.

Cristina Trujillo, Goar Sánchez‐Sanz, 2018, The journal of physical chemistry. A.

A computational study on 3-azonia-, 3-phosphonia-, and 3-arsoniaspiro[2.2]pentanes and related three-membered heterocycles.

J. Elguero, I. Alkorta, Cristina Trujillo, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

Rivalry between regium and hydrogen bonds established within diatomic coinage molecules and Lewis acids/bases.

J. Elguero, I. Alkorta, Cristina Trujillo, 2020, Chemphyschem : a European journal of chemical physics and physical chemistry.

Kinetical and thermodynamical analysis of the reactivity of thiourea by association to Ca2

Cristina Trujillo, J. A. Gámez, 2015 .

Ca2+ Reactivity in the Gas Phase. Bonding, Catalytic Effects and Coulomb Explosions

M. Yáñez, J. Salpin, I. Corral, 2010 .

Gas-phase reactions between thiourea and Ca2+: new evidence for the formation of [Ca(NH3)]2+ and other doubly charged species.

M. Yáñez, J. Tortajada, J. Salpin, 2007, Chemphyschem : a European journal of chemical physics and physical chemistry.

Interaction of Ca2+ with uracil and its thio derivatives in the gas phase.

M. Yáñez, A. Lamsabhi, J. Salpin, 2008, Organic & biomolecular chemistry.

Thermodynamic and hydrogen-bond basicity of phosphine oxides: Effect of the ring strain

J. Elguero, I. Alkorta, Cristina Trujillo, 2012 .

Intermolecular weak interactions in HTeXH dimers (X=O, S, Se, Te): hydrogen bonds, chalcogen-chalcogen contacts and chiral discrimination.

J. Elguero, I. Alkorta, Cristina Trujillo, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

Understanding Regium Bonds and their Competition with Hydrogen Bonds in Au2 :HX Complexes.

J. Elguero, I. Alkorta, Cristina Trujillo, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Orthogonal interactions between nitryl derivatives and electron donors: pnictogen bonds.

José Elguero, Goar Sánchez-Sanz, Cristina Trujillo, 2013, Physical chemistry chemical physics : PCCP.

Weak interactions between hypohalous acids and dimethylchalcogens.

J. Elguero, I. Alkorta, Cristina Trujillo, 2012, Physical chemistry chemical physics : PCCP.

A theoretical investigation of the mechanism of formation of a simplified analog of the green fluorescent protein (GFP) from a peptide model

J. Elguero, I. Alkorta, Cristina Trujillo, 2013, Structural Chemistry.

A theoretical reappraisal of the cyclol hypothesis

J. Elguero, I. Alkorta, Cristina Trujillo, 2012, Structural Chemistry.

The Steglich Rearrangement of 2‐Oxindole Derivatives Promoted by Anion‐based Nucleophilic Catalysis

S. Connon, Cristina Trujillo, Sarah A. Cronin, 2019, ChemCatChem.

A theoretical study of hydration effects on the prototropic tautomerism of selenouracils.

M. Yáñez, O. Mó, Cristina Trujillo, 2007, Organic & biomolecular chemistry.

Unimolecular reactivity upon collision of uracil–Ca2+ complexes in the gas phase: Comparison with uracil–M+ (M = H, alkali metals) and uracil–M2+ (M = Cu, Pb) systems

M. Yáñez, A. Lamsabhi, J. Salpin, 2011 .

Effect of isouronium/guanidinium substitution on the efficacy of a series of novel anti-cancer agents.

D. Zisterer, V. Previtali, Cristina Trujillo, 2018, MedChemComm.

Development of the first model of a phosphorylated, ATP/Mg2+-containing B-Raf monomer by molecular dynamics simulations: a tool for structure-based design.

J. Boisson, V. Previtali, Cristina Trujillo, 2017, Physical chemistry chemical physics : PCCP.

Electron density shift description of non-bonding intramolecular interactions

J. Elguero, I. Alkorta, Cristina Trujillo, 2012 .

Regium Bonds between Silver(I) Pyrazolates Dinuclear Complexes and Lewis Bases (N2, OH2, NCH, SH2, NH3, PH3, CO and CNH)

J. Elguero, I. Alkorta, Cristina Trujillo, 2020, Crystals.

Sequestration of CO2 by Phosphatrane Molecules.

J. Elguero, I. Alkorta, Cristina Trujillo, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical investigation of cyano-chalcogen dimers and their importance in molecular recognition.

V. Previtali, Cristina Trujillo, Goar Sánchez‐Sanz, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Cooperative Effects in Weak Interactions: Enhancement of Tetrel Bonds by Intramolecular Hydrogen Bonds

J. Elguero, I. Alkorta, Cristina Trujillo, 2019, Molecules.

Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-naphthalene Derivatives.

J. Elguero, I. Alkorta, Cristina Trujillo, 2017, The journal of physical chemistry. A.

Weak interactions within nitryl halide heterodimers

D. Quiñonero, J. Elguero, I. Alkorta, 2016 .

Competition between intramolecular hydrogen and pnictogen bonds in protonated systems

J. Elguero, I. Alkorta, Cristina Trujillo, 2016, Theoretical Chemistry Accounts.

Halogen, chalcogen and pnictogen interactions in (XNO2)2 homodimers (X = F, Cl, Br, I)

J. Elguero, I. Alkorta, Cristina Trujillo, 2015 .

Computational Study of Proton Transfer in Tautomers of 3- and 5-Hydroxypyrazole Assisted by Water.

José Elguero, Goar Sánchez-Sanz, Cristina Trujillo, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

A theoretical study of the hydrogen bonding properties of H2BNH2: Some considerations on the basis set superposition error issue

J. Elguero, I. Alkorta, Cristina Trujillo, 2011 .

TDDFT study of the UV-vis spectra of subporphyrazines and subphthalocyanines

M. Yáñez, J. Elguero, T. Torres, 2011 .

Competition and interplay between σ-hole and π-hole interactions: a computational study of 1:1 and 1:2 complexes of nitryl halides (O2NX) with ammonia.

José Elguero, Goar Sánchez-Sanz, Cristina Trujillo, 2012, The journal of physical chemistry. A.

Cyclohexane-Based Scaffold Molecules Acting as Anion Transport, Anionophores, via Noncovalent Interactions

Goar Sánchez-Sanz, Cristina Trujillo, Cristina Trujillo, 2019, J. Chem. Inf. Model..

Dual-binding conjugates of diaromatic guanidines and porphyrins for recognition of G-quadruplexes.

J. Mergny, S. Bernhard, M. Senge, 2020, Organic & biomolecular chemistry.

Modulating intramolecular chalcogen bonds in aromatic (thio)(seleno)phene-based derivatives.

J. Elguero, I. Alkorta, Cristina Trujillo, 2019, Physical chemistry chemical physics : PCCP.

TOR complex 1 regulates the yeast plasma membrane proton pump and pH and potassium homeostasis

R. Serrano, C. Montesinos, Alessandro Rienzo, 2017, FEBS letters.

A theoretical study of the parent NH-benzazoles (benzimidazoles, indazoles and benzotriazoles): Geometries, energies, acidity and basicity, NMR properties and molecular electrostatic potentials

J. Elguero, I. Alkorta, R. Claramunt, 2012 .

Intramolecular pnicogen interactions in PHF-(CH2)(n)-PHF (n=2-6) systems.

J. Elguero, I. Alkorta, Cristina Trujillo, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Aromatic Amino Acids-Guanidinium Complexes through Cation-π Interactions

A. A. Rodríguez-Sanz, Cristina Trujillo, I. Rozas, 2015, Molecules.

Theoretical study of cyanophosphines: Pnicogen vs. dipole–dipole interactions

J. Elguero, I. Alkorta, Cristina Trujillo, 2015 .

Planarity or Nonplanarity: Modulating Guanidine Derivatives as α2-Adrenoceptors Ligands

Goar Sánchez-Sanz, Cristina Trujillo, Brendan Twamley, 2019, J. Chem. Inf. Model..

Modulating intramolecular P···N pnictogen interactions.

J. Elguero, I. Alkorta, Cristina Trujillo, 2016, Physical chemistry chemical physics : PCCP.

Influence of Lewis acids on the symmetric S_N2 reaction

J. Elguero, I. Alkorta, Cristina Trujillo, 2023, Theoretical Chemistry Accounts.

Evaluation of Electron Density Shifts in Noncovalent Interactions

J. Elguero, I. Alkorta, Cristina Trujillo, 2021, The journal of physical chemistry. A.

Divergent pathways and competitive mechanisms of metathesis reactions between 3-arylprop-2-ynyl esters and aldehydes: an experimental and theoretical study.

Ieva Karpavičienė, I. Čikotienė, U. Jahn, 2014, Chemistry.

Theoretical Perspectives in Organocatalysis

Cristina Trujillo, Eric Mates-Torres, Iñigo Iribarren, 2022, Chemistry.

Selenourea-Ca2+ reactions in gas phase. Similarities and dissimilarities with urea and thiourea.

M. Yáñez, J. Tortajada, J. Salpin, 2008, The journal of physical chemistry. B.