List of works - Gonzalo Jiménez-Osés

1,3-Dipolar Cycloaddition Reactions of Low-Valent Rhodium and Iridium Complexes with Arylnitrile N-Oxides

scientific article published on 17 April 2017

A Biomimetic Approach to Lanthionines

scientific article published on 16 December 2011

A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid

article

A Late-Stage Synthetic Approach to Lanthionine-Containing Peptides via S-Alkylation on Cyclic Sulfamidates Promoted by Molecular Sieves

scientific article published on 14 November 2018

A Minimal, Unstrained S-Allyl Handle for Pre-Targeting Diels-Alder Bioorthogonal Labeling in Live Cells

scientific article (publication date: 14 November 2016)

A Single Active Site Mutation in the Pikromycin Thioesterase Generates a More Effective Macrocyclization Catalyst.

scientific article published on 24 August 2017

A convenient enantioselective synthesis of (S)-alpha-trifluoromethylisoserine

scientific article published in July 2005

A dynamic combinatorial approach for the analysis of weak carbohydrate/aromatic complexes: dissecting facial selectivity in CH/π stacking interactions.

scientific article published on 25 February 2013

A highly efficient, green and recoverable catalytic system for the epoxidation of fatty esters and biodiesel with H2O2

A novel multistep mechanism for the stereocontrolled ring opening of hindered sulfamidates: mild, green, and efficient reactivity with alcohols

scientific article published in September 2009

A proactive role of water molecules in acceptor recognition by protein O-fucosyltransferase 2.

scientific article published on 8 February 2016

A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance

scientific article published on 18 December 2020

A thorough experimental study of CH/π interactions in water: quantitative structure-stability relationships for carbohydrate/aromatic complexes

scientific article published on 30 July 2015

A twist on facial selectivity of hydride reductions of cyclic ketones: twist-boat conformers in cyclohexanone, piperidone, and tropinone reactions

scientific article

Accurate Calculation of Chemical Shifts in Highly Dynamic H2@C60through an Integrated Quantum Mechanics/Molecular Dynamics Scheme

article

An iterative, bimodular nonribosomal peptide synthetase that converts anthranilate and tryptophan into tetracyclic asperlicins

scientific article published on July 2013

Azabicyclic vinyl sulfones for residue-specific dual protein labelling

scientific article published on 18 March 2019

Bifunctional Chiral Dehydroalanines for Peptide Coupling and Stereoselective S-Michael Addition.

scientific article published in June 2016

Can Enantioselectivity be Computed in Enthalpic Barrierless Reactions? The Case of CuI-Catalyzed Cyclopropanation of Alkenes

scientific article published on 09 November 2010

Cell-Penetrating Peptides Containing Fluorescent d -Cysteines

scientific article published on 8 May 2018

Chapter 4. Computational Design of Protein Function

scholarly article

Chemo- and Regioselective Lysine Modification on Native Proteins.

scientific article published on 8 March 2018

Chemoselective Installation of Amine Bonds on Proteins through Aza-Michael Ligation

scientific article published on 5 December 2017

Competition between concerted and stepwise dynamics in the triplet di-π-methane rearrangement

scientific article published on 11 March 2014

Computations Reveal That Electron-Withdrawing Leaving Groups Facilitate Intramolecular Conjugate Displacement Reactions by Negative Hyperconjugation

scientific article

Confined organization of fullerene units along high polymer chains

Conformational analysis of 2-substituted cyclobutane-alpha-amino acid derivatives. A synergistic experimental and computational study

scientific article published in March 2006

Conformational analysis of N-Boc-N,O-isopropylidene-α-serinals. A combined DFT and NMR study

Correction to: High-Yield Sorting of Small-Diameter Carbon Nanotubes for Solar Cells and Transistors

scientific article published on 2 July 2014

Cycloadditions of cyclohexynes and cyclopentyne

scientific article

Efficient and irreversible antibody–cysteine bioconjugation using carbonylacrylic reagents

scientific article published on 01 January 2019

Elusive Dehydroalanine Derivatives with Enhanced Reactivity

scientific article published on 16 January 2019

Enantioselective Synthesis ofS-Linked Glycosyl-β2,2-Amino Acid Derivatives by SN2 Reaction with Hindered Sulfamidates

Enhancement of the Anti-Aggregation Activity of a Molecular Chaperone Using a Rationally Designed Post-Translational Modification

scientific article published on 19 July 2019

Enzymatic hydroxylation of an unactivated methylene C-H bond guided by molecular dynamics simulations

scientific article published on 29 June 2015

Evaluation of several catalytic systems for the epoxidation of methyl oleate using H2O2 as oxidant

article

Evolution of a Unified Strategy for Complex Sesterterpenoids: Progress toward Astellatol and the Total Synthesis of (-)-Nitidasin

scientific article

Experimental and Theoretical Study of Gold(III)-Catalyzed Hydration of Alkynes

Fatty acid derivatives and their use as CFPP additives in biodiesel

scientific article published on 28 October 2010

Finding the Right Candidate for the Right Position: A Fast NMR-Assisted Combinatorial Method for Optimizing Nucleic Acids Binders.

scientific article

Forming tertiary organolithiums and organocuprates from nitrile precursors and their bimolecular reactions with carbon electrophiles to form quaternary carbon stereocenters

scientific article

Glycerol ketals: Synthesis and profits in biodiesel blends

High-yield sorting of small-diameter carbon nanotubes for solar cells and transistors.

scientific article published on 10 February 2014

Highly chemoselective reactions on hindered sulfamidates with oxygenated nucleophiles

article published in 2008

Impact of Aromatic Stacking on Glycoside Reactivity: Balancing CH/π and Cation/π Interactions for the Stabilization of Glycosyl-Oxocarbenium Ions

scientific article published on 20 August 2019

Influence of amino acid stereocenters on the formation of bicyclic N,O-acetals.

scientific article published on 11 March 2014

Insights into AMS/PCAT transporters from biochemical and structural characterization of a double Glycine motif protease

scientific article published on 14 January 2019

Insights into the geometrical features underlying beta-O-GlcNAc glycosylation: water pockets drastically modulate the interactions between the carbohydrate and the peptide backbone

scientific article

Lanthionine Peptides by S-Alkylation with Substituted Cyclic Sulfamidates Promoted by Activated Molecular Sieves: Effects of the Sulfamidate Structure on the Yield

scientific article published on 01 November 2019

Long-range distance measurements in proteins at physiological temperatures using saturation recovery EPR spectroscopy

scientific article

Mechanism of alkoxy groups substitution by Grignard reagents on aromatic rings and experimental verification of theoretical predictions of anomalous reactions

scientific article published on 22 April 2013

Mechanistic Study of a Ru-Xantphos Catalyst for Tandem Alcohol Dehydrogenation and Reductive Aryl-Ether Cleavage

article

Mechanistic insights on the site selectivity in successive 1,3-dipolar cycloadditions to meso-tetraarylporphyrins

Mechanistic study of the ring-size modulation in Michael–Dieckmann type reactions of 2-acylaminoacrylates with ketene diethyl acetal

Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies

Modulating weak interactions for molecular recognition: a dynamic combinatorial analysis for assessing the contribution of electrostatics to the stability of CH-π bonds in water

scientific article published on 9 February 2015

Molecular dynamics explorations of active site structure in designed and evolved enzymes

scientific article published on 4 March 2015

Molecular dynamics of the Diels-Alder reactions of tetrazines with alkenes and N2 extrusions from adducts

scientific article

Multiple Mechanisms for the Thermal Decomposition of Metallaisoxazolin-5-ones from Computational Investigations

scientific article published on 13 July 2017

N-Type Conjugated Polymer-Enabled Selective Dispersion of Semiconducting Carbon Nanotubes for Flexible CMOS-Like Circuits

New insights into alpha-GalNAc-Ser motif: influence of hydrogen bonding versus solvent interactions on the preferred conformation.

scientific article

New syntheses of enantiopure 2-methyl isoserines

article published in 2004

Non-natural amino acids as modulating agents of the conformational space of model glycopeptides

scientific article published in January 2008

Origins of stereoselectivity in evolved ketoreductases

scientific article

Oxidative Activation of C–S Bonds with an Electropositive Nitrogen Promoter Enables Orthogonal Glycosylation of Alkyl over Phenyl Thioglycosides

scientific article published on 28 September 2017

Oxygen by Carbon Replacement at the Glycosidic Linkage Modulates the Sugar Conformation in Tn Antigen Mimics

scientific article published on 24 December 2018

Pyridine N-Oxide vs Pyridine Substrates for Rh(III)-Catalyzed Oxidative C-H Bond Functionalization

scientific article published on 21 July 2015

QM/MM Modeling of Enantioselective Pybox–Ruthenium- and Box–Copper-Catalyzed Cyclopropanation Reactions: Scope, Performance, and Applications to Ligand Design

scientific article published on 01 January 2007

Radical-Mediated Thiol-Ene Strategy: Photoactivation of Thiol-Containing Drugs in Cancer Cells

Role of aromatic rings in the molecular recognition of aminoglycoside antibiotics: implications for drug design.

scientific article published on September 2010

Role of the Countercation in Diastereoselective Alkylations of Pyramidalized Bicyclic Serine Enolates. An Easy Approach to α-Benzylserine†

scientific article published on 08 June 2007

S(N)2 reaction of sulfur nucleophiles with hindered sulfamidates: enantioselective synthesis of alpha-methylisocysteine

scientific article published in February 2006

SN2 vs E2 on Quaternary Centers: An Easy Approach to Chiral β2,2-Amino Acids from Cyclic Sulfamidates

article by alberto avenoza et al published 2 March 2005 in Phosphorus, Sulfur, and Silicon and the Related Elements

SN2 vs. E2 on quaternary centres: an application to the synthesis of enantiopure β2,2-amino acids

scientific article published on 16 March 2004

Scalable and selective dispersion of semiconducting arc-discharged carbon nanotubes by dithiafulvalene/thiophene copolymers for thin film transistors

scientific article published on 22 February 2013

Selective modification of sulfamidate-containing peptides

scientific article published on 03 July 2020

Serine versus threonine glycosylation: the methyl group causes a drastic alteration on the carbohydrate orientation and on the surrounding water shell

scientific article

Solvent effects on polymer sorting of carbon nanotubes with applications in printed electronics.

scientific article published on 19 August 2014

Stereochemical outcome of copper-catalyzed C-H insertion reactions. An experimental and theoretical study

scientific article published on 5 June 2013

Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives

scientific article published on 28 April 2011

Stereoselective Synthesis of Orthogonally Protected α-Methylnorlanthionine

scientific article published on 01 June 2006

Stereoselectivity induced by support confinement effects. Aza-pyridinoxazolines: A new family of C(1)-symmetric ligands for copper-catalyzed enantioselective cyclopropanation reactions.

scientific article

Steric control of alpha- and beta-alkylation of azulenone intermediates in a guanacastepene a synthesis

scientific article

Stoichiometric and irreversible cysteine-selective protein modification using carbonylacrylic reagents

scientific article published on 26 October 2016

Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage

scientific article published on 20 February 2019

Substituent Effects on the Reactivity of Cyclic Tertiary Sulfamidates

scientific article published on 17 November 2017

Substrate control in stereoselective lanthionine biosynthesis

scientific article

Substrate-assisted Enzymatic Formation of Lysinoalanine in Duramycin

Substrate-assisted enzymatic formation of lysinoalanine in duramycin

scientific article published in October 2018

Surface Confinement Effects on Enantioselective Cyclopropanation. Reactions with Supported Chiral 8-Oxazolinylquinoline−Copper Complexes

Synthesis of Mixed α/β2,2-Peptides by Site-Selective Ring-Opening of Cyclic Quaternary Sulfamidates

scientific article published on 16 November 2015

Synthesis of Nβ-Substituted α,β-Diamino Acids via Stereoselective N-Michael Additions to a Chiral Bicyclic Dehydroalanine

scientific article published on 19 February 2020

The Conformation of the Mannopyranosyl Phosphate Repeating Unit of the Capsular Polysaccharide of Neisseria meningitidis Serogroup A and Its Carba-Mimetic

scientific article published on 17 August 2018

The interdomain flexible linker of the polypeptide GalNAc transferases dictates their long-range glycosylation preferences

scientific article published on 5 December 2017

The key role of Au-substrate interactions in catalytic gold subnanoclusters

scientific article published on 21 November 2017

The role of distant mutations and allosteric regulation on LovD active site dynamics

scientific article

The two domains of human galectin-8 bind sialyl- and fucose-containing oligosaccharides in an independent manner. A 3D view by using NMR

scientific article published on 12 April 2021

The unusual reactivity of benzene and monosubstituted benzenes towards tetracyanoethylene oxide: a theoretical study

Theoretical Evidence for Pyramidalized Bicyclic Serine Enolates in Highly Diastereoselective Alkylations

article

Thermodynamic evaluation of aromatic CH/π interactions and rotational entropy in a molecular rotor

scientific article published on 4 February 2015

Tn Antigen Mimics Based on sp(2)-Iminosugars with Affinity for an anti-MUC1 Antibody.

scientific article published on 25 July 2016

Tn Antigen Mimics by Ring-Opening of Chiral Cyclic Sulfamidates with Carbohydrate C1-S- and C1-O-Nucleophiles

scientific article published on 13 April 2018

Toward Enantiomerically Pure β-Seleno-α-amino Acids via Stereoselective <i>Se</i>-Michael Additions to Chiral Dehydroalanines

scientific article published on 29 December 2020

Vinyl Ether/Tetrazine Pair for the Traceless Release of Alcohols in Cells.

scientific article

Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition

scientific article published on 30 July 2018

List of works by Gonzalo Jiménez-Osés

1,3-Dipolar Cycloaddition Reactions of Low-Valent Rhodium and Iridium Complexes with Arylnitrile N-Oxides

A Biomimetic Approach to Lanthionines

A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid

A Late-Stage Synthetic Approach to Lanthionine-Containing Peptides via S-Alkylation on Cyclic Sulfamidates Promoted by Molecular Sieves

A Minimal, Unstrained S-Allyl Handle for Pre-Targeting Diels-Alder Bioorthogonal Labeling in Live Cells

A Single Active Site Mutation in the Pikromycin Thioesterase Generates a More Effective Macrocyclization Catalyst.

A convenient enantioselective synthesis of (S)-alpha-trifluoromethylisoserine

A dynamic combinatorial approach for the analysis of weak carbohydrate/aromatic complexes: dissecting facial selectivity in CH/π stacking interactions.

A highly efficient, green and recoverable catalytic system for the epoxidation of fatty esters and biodiesel with H2O2

A novel multistep mechanism for the stereocontrolled ring opening of hindered sulfamidates: mild, green, and efficient reactivity with alcohols

A proactive role of water molecules in acceptor recognition by protein O-fucosyltransferase 2.

A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance

A thorough experimental study of CH/π interactions in water: quantitative structure-stability relationships for carbohydrate/aromatic complexes

A twist on facial selectivity of hydride reductions of cyclic ketones: twist-boat conformers in cyclohexanone, piperidone, and tropinone reactions

Accurate Calculation of Chemical Shifts in Highly Dynamic H2@C60through an Integrated Quantum Mechanics/Molecular Dynamics Scheme

An iterative, bimodular nonribosomal peptide synthetase that converts anthranilate and tryptophan into tetracyclic asperlicins

Azabicyclic vinyl sulfones for residue-specific dual protein labelling

Bifunctional Chiral Dehydroalanines for Peptide Coupling and Stereoselective S-Michael Addition.

Can Enantioselectivity be Computed in Enthalpic Barrierless Reactions? The Case of CuI-Catalyzed Cyclopropanation of Alkenes

Cell-Penetrating Peptides Containing Fluorescent d -Cysteines

Chapter 4. Computational Design of Protein Function

Chemo- and Regioselective Lysine Modification on Native Proteins.

Chemoselective Installation of Amine Bonds on Proteins through Aza-Michael Ligation

Competition between concerted and stepwise dynamics in the triplet di-π-methane rearrangement

Computations Reveal That Electron-Withdrawing Leaving Groups Facilitate Intramolecular Conjugate Displacement Reactions by Negative Hyperconjugation

Confined organization of fullerene units along high polymer chains

Conformational analysis of 2-substituted cyclobutane-alpha-amino acid derivatives. A synergistic experimental and computational study

Conformational analysis of N-Boc-N,O-isopropylidene-α-serinals. A combined DFT and NMR study

Correction to: High-Yield Sorting of Small-Diameter Carbon Nanotubes for Solar Cells and Transistors

Cycloadditions of cyclohexynes and cyclopentyne

Efficient and irreversible antibody–cysteine bioconjugation using carbonylacrylic reagents

Elusive Dehydroalanine Derivatives with Enhanced Reactivity

Enantioselective Synthesis ofS-Linked Glycosyl-β2,2-Amino Acid Derivatives by SN2 Reaction with Hindered Sulfamidates

Enhancement of the Anti-Aggregation Activity of a Molecular Chaperone Using a Rationally Designed Post-Translational Modification

Enzymatic hydroxylation of an unactivated methylene C-H bond guided by molecular dynamics simulations

Evaluation of several catalytic systems for the epoxidation of methyl oleate using H2O2 as oxidant

Evolution of a Unified Strategy for Complex Sesterterpenoids: Progress toward Astellatol and the Total Synthesis of (-)-Nitidasin

Experimental and Theoretical Study of Gold(III)-Catalyzed Hydration of Alkynes

Fatty acid derivatives and their use as CFPP additives in biodiesel

Finding the Right Candidate for the Right Position: A Fast NMR-Assisted Combinatorial Method for Optimizing Nucleic Acids Binders.

Forming tertiary organolithiums and organocuprates from nitrile precursors and their bimolecular reactions with carbon electrophiles to form quaternary carbon stereocenters

Glycerol ketals: Synthesis and profits in biodiesel blends

High-yield sorting of small-diameter carbon nanotubes for solar cells and transistors.

Highly chemoselective reactions on hindered sulfamidates with oxygenated nucleophiles

Impact of Aromatic Stacking on Glycoside Reactivity: Balancing CH/π and Cation/π Interactions for the Stabilization of Glycosyl-Oxocarbenium Ions

Influence of amino acid stereocenters on the formation of bicyclic N,O-acetals.

Insights into AMS/PCAT transporters from biochemical and structural characterization of a double Glycine motif protease

Insights into the geometrical features underlying beta-O-GlcNAc glycosylation: water pockets drastically modulate the interactions between the carbohydrate and the peptide backbone

Lanthionine Peptides by S-Alkylation with Substituted Cyclic Sulfamidates Promoted by Activated Molecular Sieves: Effects of the Sulfamidate Structure on the Yield

Long-range distance measurements in proteins at physiological temperatures using saturation recovery EPR spectroscopy

Mechanism of alkoxy groups substitution by Grignard reagents on aromatic rings and experimental verification of theoretical predictions of anomalous reactions

Mechanistic Study of a Ru-Xantphos Catalyst for Tandem Alcohol Dehydrogenation and Reductive Aryl-Ether Cleavage

Mechanistic insights on the site selectivity in successive 1,3-dipolar cycloadditions to meso-tetraarylporphyrins

Mechanistic study of the ring-size modulation in Michael–Dieckmann type reactions of 2-acylaminoacrylates with ketene diethyl acetal

Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies

Modulating weak interactions for molecular recognition: a dynamic combinatorial analysis for assessing the contribution of electrostatics to the stability of CH-π bonds in water

Molecular dynamics explorations of active site structure in designed and evolved enzymes

Molecular dynamics of the Diels-Alder reactions of tetrazines with alkenes and N2 extrusions from adducts

Multiple Mechanisms for the Thermal Decomposition of Metallaisoxazolin-5-ones from Computational Investigations

N-Type Conjugated Polymer-Enabled Selective Dispersion of Semiconducting Carbon Nanotubes for Flexible CMOS-Like Circuits

New insights into alpha-GalNAc-Ser motif: influence of hydrogen bonding versus solvent interactions on the preferred conformation.

New syntheses of enantiopure 2-methyl isoserines

Non-natural amino acids as modulating agents of the conformational space of model glycopeptides

Origins of stereoselectivity in evolved ketoreductases

Oxidative Activation of C–S Bonds with an Electropositive Nitrogen Promoter Enables Orthogonal Glycosylation of Alkyl over Phenyl Thioglycosides

Oxygen by Carbon Replacement at the Glycosidic Linkage Modulates the Sugar Conformation in Tn Antigen Mimics

Pyridine N-Oxide vs Pyridine Substrates for Rh(III)-Catalyzed Oxidative C-H Bond Functionalization

QM/MM Modeling of Enantioselective Pybox–Ruthenium- and Box–Copper-Catalyzed Cyclopropanation Reactions: Scope, Performance, and Applications to Ligand Design

Radical-Mediated Thiol-Ene Strategy: Photoactivation of Thiol-Containing Drugs in Cancer Cells

Radical-Mediated Thiol-Ene Strategy: Photoactivation of Thiol-Containing Drugs in Cancer Cells

Role of aromatic rings in the molecular recognition of aminoglycoside antibiotics: implications for drug design.

Role of the Countercation in Diastereoselective Alkylations of Pyramidalized Bicyclic Serine Enolates. An Easy Approach to α-Benzylserine†

S(N)2 reaction of sulfur nucleophiles with hindered sulfamidates: enantioselective synthesis of alpha-methylisocysteine

SN2 vs E2 on Quaternary Centers: An Easy Approach to Chiral β2,2-Amino Acids from Cyclic Sulfamidates

SN2 vs. E2 on quaternary centres: an application to the synthesis of enantiopure β2,2-amino acids

Scalable and selective dispersion of semiconducting arc-discharged carbon nanotubes by dithiafulvalene/thiophene copolymers for thin film transistors

Selective modification of sulfamidate-containing peptides

Serine versus threonine glycosylation: the methyl group causes a drastic alteration on the carbohydrate orientation and on the surrounding water shell

Solvent effects on polymer sorting of carbon nanotubes with applications in printed electronics.