Lista de obras -

3,4-Dideoxy-3,3,4,4-tetrafluoro- and 4-OH epimeric 3-deoxy-3,3-difluoro-α-GalCer analogues: Synthesis and biological evaluation on human iNKT cells stimulation

artículo científico publicado en 2019

3-fluoro- and 3,3-difluoro-3,4-dideoxy-KRN7000 analogues as new potent immunostimulator agents: total synthesis and biological evaluation in human invariant natural killer T cells and mice.

artículo científico publicado en 2012

A Study of Intramolecular Hydrogen Bonding in Levoglucosan Derivatives

artículo científico publicado en 2017

An enthalpic scale of hydrogen-bond basicity. 4. Carbon pi bases, oxygen bases, and miscellaneous second-row, third-row, and fourth-row bases and a survey of the 4-fluorophenol affinity scale.

artículo científico publicado en 2010

An unexpected and significantly lower hydrogen-bond-donating capacity of fluorohydrins compared to nonfluorinated alcohols.

artículo científico publicado en 2012

Binding of Sulfoxaflor to Aplysia californica-AChBP: Computational Insights from Multiscale Approaches

artículo científico publicado en 2019

Characterization of Steroids through Collision Cross Sections: Contribution of Quantum Chemistry Calculations

artículo científico publicado en 2020

Common ring motifs in proteins involving asparagine or glutamine amide groups hydrogen-bonded to main-chain atoms

artículo científico publicado en 1993

Computer modelling of sulfated carbohydrates: applications to carrageenans

scientific article published on 01 June 1995

Conformations and Binding Properties of Thiametoxam and Clothianidin Neonicotinoid Insecticides to Nicotinic Acetylcholine Receptors: The Contribution of σ-Hole Interactions

scientific article published on 11 October 2018

Cytochrome P450-Catalyzed Degradation of Nicotine: Fundamental Parameters Determining Hydroxylation by Cytochrome P450 2A6 at the 5′-Carbon or the N-Methyl Carbon

artículo científico publicado en 2012

Di- and heptavalent nicotinic analogues to interfere with α7 nicotinic acetylcholine receptors

artículo científico publicado en 2019

Halogen-bond geometry: a crystallographic database investigation of dihalogen complexes

artículo científico publicado en 2003

Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study.

artículo científico publicado en 2016

Hydrogen-bond accepting strength of protonated nicotine

artículo científico publicado en 2005

Hydrogen-bond acidity of OH groups in various molecular environments (phenols, alcohols, steroid derivatives, and amino acids structures): experimental measurements and density functional theory calculations

artículo científico publicado en 2013

Hydrogen-bond interactions of nicotine and acetylcholine salts: a combined crystallographic, spectroscopic, thermodynamic and theoretical study.

artículo científico publicado en 2007

Imidacloprid and thiacloprid neonicotinoids bind more favourably to cockroach than to honeybee α6 nicotinic acetylcholine receptor: insights from computational studies.

artículo científico publicado en 2014

Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules

artículo científico publicado en 2014

Influence of Alcohol β-Fluorination on Hydrogen-Bond Acidity of Conformationally Flexible Substrates

artículo científico publicado en 2016

Influence of Fluorination on the Conformational Properties and Hydrogen-Bond Acidity of Benzyl Alcohol Derivatives.

artículo científico publicado en 2015

Insights into a highly conserved network of hydrogen bonds in the agonist binding site of nicotinic acetylcholine receptors: a structural and theoretical study

artículo científico publicado en 2014

Interpretation of experimental hydrogen-bond enthalpies and entropies from COSMO polarisation charge densities

artículo científico publicado en 2013

Intramolecular OH⋅⋅⋅Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The γ-Fluoropropanol Motif.

artículo científico publicado en 2015

Lipophilicity trends upon fluorination of isopropyl, cyclopropyl and 3-oxetanyl groups

artículo científico publicado en 2020

Mapping of the interaction sites of galanthamine: a quantitative analysis through pairwise potentials and quantum chemistry.

artículo científico publicado en 2012

Mode of Action of Neonicotinoid Insecticides Imidacloprid and Thiacloprid to the Cockroach Pameα7 Nicotinic Acetylcholine Receptor

artículo científico publicado en 2021

Mode of action of sulfoxaflor on α-bungarotoxin-insensitive nAChR1 and nAChR2 subtypes: Inhibitory effect of imidacloprid

scientific article published on 15 June 2019

Molecular features and toxicological properties of four common pesticides, acetamiprid, deltamethrin, chlorpyriphos and fipronil.

artículo científico publicado en 2015

Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation.

artículo científico publicado en 2015

Permethrin enhances the agonist activity of dinotefuran on insect cholinergic synaptic transmission and isolated neurons

artículo científico publicado en 2018

Questioning the Affinity of Electrophilic Astatine for Sulfur-containing Compounds: Unexpected Bindings Revealed

scientific article published on 22 September 2020

Reducing the lipophilicity of perfluoroalkyl groups by CF2-F/CF2-Me or CF3/CH3 exchange

artículo científico publicado en 2018

Structural features and protonation site of epibatidine in the gas phase: an investigation through infrared multiphoton dissociation spectroscopy and computational chemistry

artículo científico publicado en 2010

Study of N1-alkylation of indoles from the reaction of 2(or 3)-aminoindole-3-(or 2)carbonitriles with DMF-dialkylacetals

artículo científico publicado en 2012

Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose

scientific article published on 28 March 2019

Systematic Investigation of Lipophilicity Modulation by Aliphatic Fluorination Motifs

artículo científico publicado en 2020

The crystal and molecular structure of 4-cyanophenyl and 4-nitrophenyl beta-D-xylopyranosides

scientific article published on 01 December 1994

The exceptional hydrogen-bond properties of neutral and protonated lobeline

artículo científico publicado en 2007

The nicotinic pharmacophore: thermodynamics of the hydrogen-bonding complexation of nicotine, nornicotine, and models.

artículo científico publicado en 2003

Theoretical study of the structures and hydrogen-bond properties of new alternated heterocyclic compounds

scientific article published on 01 June 2010

α-Fluoro-o-cresols: The Key Role of Intramolecular Hydrogen Bonding in Conformational Preference and Hydrogen-Bond Acidity

artículo científico publicado en 2016

Lista de obras de

3,4-Dideoxy-3,3,4,4-tetrafluoro- and 4-OH epimeric 3-deoxy-3,3-difluoro-α-GalCer analogues: Synthesis and biological evaluation on human iNKT cells stimulation

3-fluoro- and 3,3-difluoro-3,4-dideoxy-KRN7000 analogues as new potent immunostimulator agents: total synthesis and biological evaluation in human invariant natural killer T cells and mice.

A Study of Intramolecular Hydrogen Bonding in Levoglucosan Derivatives

An enthalpic scale of hydrogen-bond basicity. 4. Carbon pi bases, oxygen bases, and miscellaneous second-row, third-row, and fourth-row bases and a survey of the 4-fluorophenol affinity scale.

An unexpected and significantly lower hydrogen-bond-donating capacity of fluorohydrins compared to nonfluorinated alcohols.

Binding of Sulfoxaflor to Aplysia californica-AChBP: Computational Insights from Multiscale Approaches

Characterization of Steroids through Collision Cross Sections: Contribution of Quantum Chemistry Calculations

Common ring motifs in proteins involving asparagine or glutamine amide groups hydrogen-bonded to main-chain atoms

Computer modelling of sulfated carbohydrates: applications to carrageenans

Conformations and Binding Properties of Thiametoxam and Clothianidin Neonicotinoid Insecticides to Nicotinic Acetylcholine Receptors: The Contribution of σ-Hole Interactions

Cytochrome P450-Catalyzed Degradation of Nicotine: Fundamental Parameters Determining Hydroxylation by Cytochrome P450 2A6 at the 5′-Carbon or the N-Methyl Carbon

Di- and heptavalent nicotinic analogues to interfere with α7 nicotinic acetylcholine receptors

Halogen-bond geometry: a crystallographic database investigation of dihalogen complexes

Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study.

Hydrogen-bond accepting strength of protonated nicotine

Hydrogen-bond acidity of OH groups in various molecular environments (phenols, alcohols, steroid derivatives, and amino acids structures): experimental measurements and density functional theory calculations

Hydrogen-bond interactions of nicotine and acetylcholine salts: a combined crystallographic, spectroscopic, thermodynamic and theoretical study.

Imidacloprid and thiacloprid neonicotinoids bind more favourably to cockroach than to honeybee α6 nicotinic acetylcholine receptor: insights from computational studies.

Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules

Influence of Alcohol β-Fluorination on Hydrogen-Bond Acidity of Conformationally Flexible Substrates

Influence of Fluorination on the Conformational Properties and Hydrogen-Bond Acidity of Benzyl Alcohol Derivatives.

Insights into a highly conserved network of hydrogen bonds in the agonist binding site of nicotinic acetylcholine receptors: a structural and theoretical study

Interpretation of experimental hydrogen-bond enthalpies and entropies from COSMO polarisation charge densities

Intramolecular OH⋅⋅⋅Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The γ-Fluoropropanol Motif.

Lipophilicity trends upon fluorination of isopropyl, cyclopropyl and 3-oxetanyl groups

Mapping of the interaction sites of galanthamine: a quantitative analysis through pairwise potentials and quantum chemistry.

Mode of Action of Neonicotinoid Insecticides Imidacloprid and Thiacloprid to the Cockroach Pameα7 Nicotinic Acetylcholine Receptor

Mode of action of sulfoxaflor on α-bungarotoxin-insensitive nAChR1 and nAChR2 subtypes: Inhibitory effect of imidacloprid

Molecular features and toxicological properties of four common pesticides, acetamiprid, deltamethrin, chlorpyriphos and fipronil.

Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation.

Permethrin enhances the agonist activity of dinotefuran on insect cholinergic synaptic transmission and isolated neurons

Questioning the Affinity of Electrophilic Astatine for Sulfur-containing Compounds: Unexpected Bindings Revealed

Reducing the lipophilicity of perfluoroalkyl groups by CF2-F/CF2-Me or CF3/CH3 exchange

Structural features and protonation site of epibatidine in the gas phase: an investigation through infrared multiphoton dissociation spectroscopy and computational chemistry

Study of N1-alkylation of indoles from the reaction of 2(or 3)-aminoindole-3-(or 2)carbonitriles with DMF-dialkylacetals

Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose

Systematic Investigation of Lipophilicity Modulation by Aliphatic Fluorination Motifs

The crystal and molecular structure of 4-cyanophenyl and 4-nitrophenyl beta-D-xylopyranosides

The exceptional hydrogen-bond properties of neutral and protonated lobeline

The nicotinic pharmacophore: thermodynamics of the hydrogen-bonding complexation of nicotine, nornicotine, and models.

Theoretical study of the structures and hydrogen-bond properties of new alternated heterocyclic compounds

α-Fluoro-o-cresols: The Key Role of Intramolecular Hydrogen Bonding in Conformational Preference and Hydrogen-Bond Acidity