List of works - Giuseppina De Luca

A combined LX-NMR and molecular dynamics investigation of the bulk and local structure of ionic liquid crystals

scientific article published on 16 May 2019

A comparison of proton‐detected13C local field experiments with deuterium NMR at natural abundance for studying liquid crystals

A comparison of the structure, flexibility and mesogenic properties of 4-methoxy-4′-cyanobiphenyl and the α,α,α-trifluorinated derivative

A correlation between the order parameters of rigid solutes dissolved in two nematic solvents and in a mixture of them

A general strategy for obtaining 19F-19F and 13C-19F residual dipolar couplings in perfluorocarbons from the NMR spectroscopy of liquid crystalline samples

scientific article published in June 2010

Alignment of druglike compounds in lipid bilayers analyzed by solid-state (19)F-NMR and molecular dynamics, based on dipolar couplings of adjacent CF3 groups

scientific article published on 13 April 2012

An erbium-based bifuctional heterogeneous catalyst: a cooperative route towards C-C bond formation

scientific article published on 15 July 2014

An investigation of the conformation of 4-chloroethylbenzene as a solute in a nematic liquid crystalline solvent

Angle of twist between the two rings of 4-cyanobiphenyl when dissolved in liquid-crystalline solvents

Antioxidant and spectroscopic studies of crosslinked polymers synthesized by grafting polymerization of ferulic acid

Assessing the stable conformations of ibuprofen in solution by means of Residual Dipolar Couplings.

scientific article published on 17 May 2017

Biomimetic synthesis and antioxidant evaluation of 3,4-DHPEA-EDA [2-(3,4-hydroxyphenyl) ethyl (3S,4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate]

scientific article published on 13 April 2014

CalculatedVersus“Experimental” Force Fields: The Influence in the Structure Determination of Benzene by NMR Spectroscopy in Liquid Crystal Solvents

Complexation of Al3+ and Ni2+ by l-Ascorbic Acid: An Experimental and Theoretical Investigation.

scientific article published on 5 December 2017

Conformational Analysis of 2,2‘-Bithiophene: A1H Liquid Crystal NMR Study Using the13C Satellite Spectra

scientific article published on 01 November 2005

Conformational Distribution of trans-Stilbene in Solution Investigated by Liquid Crystal NMR Spectroscopy and Compared with in Vacuo Theoretical Predictions

scientific article published on 28 February 2012

Conformational and Orientational Determination from Dipolar Couplings in a Weakly Ordering Organic-Based Lyotropic and a Strongly Ordering Thermotropic Liquid Crystal

Conformational behaviour of 1,4-dihydronicotinamide and protonated nicotinamide in vacuo and in solvent: a density functional study

Conformational investigation in solution of a fluorinated anti-inflammatory drug by NMR spectroscopy in weakly ordering media

scientific article published on 17 July 2014

Do the molecules which form discotic liquid crystals have disc‐like structures? The conformation of a simple model compound, 1,2‐dihydroxydiacetylbenzene, determined from the NMR spectra of samples dissolved in liquid crystalline solvents

Doped ionic liquid crystals as effective weakly alignment media for polar solutes.

scientific article

Experimental Assessment of the Vibration-Reorientation Contribution to Liquid Crystal NMR Dipolar Couplings: The Case of Tetramethylallene Dissolved in a Nematic Mesophase

article

Exploiting the information content of dipolar couplings: determination of the temperature dependence of the inter-ring twist angle of biphenyl dissolved in uniaxial mesophases

Intrinsic Information Content of NMR Dipolar Couplings: A Conformational Investigation of 1,3-Butadiene in a Nematic Phase

scientific article published on 01 September 2006

Investigation of internal and external potentials acting on benzyl halides dissolved in different nematic solvents

Is styrene planar in liquid phases?

scientific article

Molecular Ordering and Structure of Quasi-spherical Solutes by Liquid Crystal NMR and Monte Carlo Simulations: The Case of Norbornadiene

scientific article published on 01 June 2006

Multitechnique investigation of conformational features of small molecules: the case of methyl phenyl sulfoxide

scientific article published on 30 January 2008

NMR spectroscopy investigation of the cooperative nature of the internal rotational motions in acetophenone

scientific article

Obtaining the structure and bond rotational potential of a substituted ethane by NMR spectroscopy of solutions in nematic liquid-crystalline solvents.

scientific article published in November 2005

Order and conformation of biphenyl in cyanobiphenyl liquid crystals: a combined atomistic molecular dynamics and 1H NMR study

article

Ordering of Polar Solutes in Nematic Magic Mixtures : Evidences of Dipolar Effects?

Reactivity models of 1-N-vinyluracil and synthesis of a new class of potential antiviral agents by the use of 1,3-dipolar cycloaddition reactions.

scientific article published in May 2003

Rigid probe solutes in a smectic-A liquid crystal: an unconventional route to the latter's positional order parameters.

scientific article published on 13 December 2011

Smectic order parameters via liquid crystal NMR spectroscopy: Application to a partial bilayer smectic A phase

scientific article published on 29 October 2012

Solute-solvent interactions and chiral induction in liquid crystals

scientific article published in August 2005

Solvent smectic order parameters from solute nematic order parameters

scientific article

Statin-like principles of bergamot fruit (Citrus bergamia): isolation of 3-hydroxymethylglutaryl flavonoid glycosides.

scientific article

Structure of biphenyl in a nematic liquid-crystalline solvent

The NMR Spectra of Samples Dissolved in Liquid–Crystalline Phases: Automatic Analysis with the Aid of Multiple Quantum Spectra— The Case of Flexible Molecules

scientific article published on 01 February 2000

The barrier to internal rotation in benzyl fluoride investigated using the N.M.R. spectra of samples dissolved in liquid crystalline solvents

The conformation and orientational order of a 1,2-disubstituted ethane nematogenic molecule (I22) in liquid crystalline and isotropic phases studied by NMR spectroscopy.

scientific article published in February 2010

The conformational distribution in diphenylmethane determined by nuclear magnetic resonance spectroscopy of a sample dissolved in a nematic liquid crystalline solvent

The indirect through-space F–F coupling in peri-difluoronaphthalene: is it anisotropic?

scientific article published on 24 September 2008

The structure and conformation of a mesogenic compound between almost zero and almost complete orientational order

article by J. W. Emsley et al published September 2007 in Liquid Crystals

List of works by Giuseppina De Luca

A combined LX-NMR and molecular dynamics investigation of the bulk and local structure of ionic liquid crystals

A comparison of proton‐detected13C local field experiments with deuterium NMR at natural abundance for studying liquid crystals

A comparison of the structure, flexibility and mesogenic properties of 4-methoxy-4′-cyanobiphenyl and the α,α,α-trifluorinated derivative

A correlation between the order parameters of rigid solutes dissolved in two nematic solvents and in a mixture of them

A correlation between the order parameters of rigid solutes dissolved in two nematic solvents and in a mixture of them

A general strategy for obtaining 19F-19F and 13C-19F residual dipolar couplings in perfluorocarbons from the NMR spectroscopy of liquid crystalline samples

Alignment of druglike compounds in lipid bilayers analyzed by solid-state (19)F-NMR and molecular dynamics, based on dipolar couplings of adjacent CF3 groups

An erbium-based bifuctional heterogeneous catalyst: a cooperative route towards C-C bond formation

An investigation of the conformation of 4-chloroethylbenzene as a solute in a nematic liquid crystalline solvent

Angle of twist between the two rings of 4-cyanobiphenyl when dissolved in liquid-crystalline solvents

Antioxidant and spectroscopic studies of crosslinked polymers synthesized by grafting polymerization of ferulic acid

Assessing the stable conformations of ibuprofen in solution by means of Residual Dipolar Couplings.

Biomimetic synthesis and antioxidant evaluation of 3,4-DHPEA-EDA [2-(3,4-hydroxyphenyl) ethyl (3S,4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate]

CalculatedVersus“Experimental” Force Fields: The Influence in the Structure Determination of Benzene by NMR Spectroscopy in Liquid Crystal Solvents

Complexation of Al3+ and Ni2+ by l-Ascorbic Acid: An Experimental and Theoretical Investigation.

Conformational Analysis of 2,2‘-Bithiophene: A1H Liquid Crystal NMR Study Using the13C Satellite Spectra

Conformational Distribution of trans-Stilbene in Solution Investigated by Liquid Crystal NMR Spectroscopy and Compared with in Vacuo Theoretical Predictions

Conformational and Orientational Determination from Dipolar Couplings in a Weakly Ordering Organic-Based Lyotropic and a Strongly Ordering Thermotropic Liquid Crystal

Conformational behaviour of 1,4-dihydronicotinamide and protonated nicotinamide in vacuo and in solvent: a density functional study

Conformational investigation in solution of a fluorinated anti-inflammatory drug by NMR spectroscopy in weakly ordering media

Do the molecules which form discotic liquid crystals have disc‐like structures? The conformation of a simple model compound, 1,2‐dihydroxydiacetylbenzene, determined from the NMR spectra of samples dissolved in liquid crystalline solvents

Doped ionic liquid crystals as effective weakly alignment media for polar solutes.

Experimental Assessment of the Vibration-Reorientation Contribution to Liquid Crystal NMR Dipolar Couplings: The Case of Tetramethylallene Dissolved in a Nematic Mesophase

Exploiting the information content of dipolar couplings: determination of the temperature dependence of the inter-ring twist angle of biphenyl dissolved in uniaxial mesophases

Intrinsic Information Content of NMR Dipolar Couplings: A Conformational Investigation of 1,3-Butadiene in a Nematic Phase

Investigation of internal and external potentials acting on benzyl halides dissolved in different nematic solvents

Is styrene planar in liquid phases?

Molecular Ordering and Structure of Quasi-spherical Solutes by Liquid Crystal NMR and Monte Carlo Simulations: The Case of Norbornadiene

Multitechnique investigation of conformational features of small molecules: the case of methyl phenyl sulfoxide

NMR spectroscopy investigation of the cooperative nature of the internal rotational motions in acetophenone

Obtaining the structure and bond rotational potential of a substituted ethane by NMR spectroscopy of solutions in nematic liquid-crystalline solvents.

Order and conformation of biphenyl in cyanobiphenyl liquid crystals: a combined atomistic molecular dynamics and 1H NMR study

Ordering of Polar Solutes in Nematic Magic Mixtures : Evidences of Dipolar Effects?

Reactivity models of 1-N-vinyluracil and synthesis of a new class of potential antiviral agents by the use of 1,3-dipolar cycloaddition reactions.

Rigid probe solutes in a smectic-A liquid crystal: an unconventional route to the latter's positional order parameters.

Smectic order parameters via liquid crystal NMR spectroscopy: Application to a partial bilayer smectic A phase

Solute-solvent interactions and chiral induction in liquid crystals

Solvent smectic order parameters from solute nematic order parameters

Statin-like principles of bergamot fruit (Citrus bergamia): isolation of 3-hydroxymethylglutaryl flavonoid glycosides.

Structure of biphenyl in a nematic liquid-crystalline solvent

The NMR Spectra of Samples Dissolved in Liquid–Crystalline Phases: Automatic Analysis with the Aid of Multiple Quantum Spectra— The Case of Flexible Molecules

The barrier to internal rotation in benzyl fluoride investigated using the N.M.R. spectra of samples dissolved in liquid crystalline solvents

The conformation and orientational order of a 1,2-disubstituted ethane nematogenic molecule (I22) in liquid crystalline and isotropic phases studied by NMR spectroscopy.

The conformational distribution in diphenylmethane determined by nuclear magnetic resonance spectroscopy of a sample dissolved in a nematic liquid crystalline solvent

The indirect through-space F–F coupling in peri-difluoronaphthalene: is it anisotropic?

The structure and conformation of a mesogenic compound between almost zero and almost complete orientational order

The structures and conformations of mesogenic molecules in the pre-transitional region of the isotropic phase: 5OCB and MBBA and their mixtures

The use of heteronuclear multiple quantum spectra in the automatic analysis of NMR spectra of samples dissolved in liquid crystalline phases