Publications associées à Nuclear magnetic resonance spectroscopy of proteins

A Factor Two Improvement in High-Field Dynamic Nuclear Polarization from Gd(III) Complexes by Design

David Lyndon Emsley, Marinella Mazzanti, Anne-Sophie Chauvin, Dominik Józef Kubicki, Gabriele Stevanato, Georges Guévork Jean-Jacques Menzildjian

Gadolinium(III) complexes have recently been demonstrated to have potential as polarizing agents for high-field dynamic nuclear polarization (DNP) NMR spectroscopy. By tailoring the ligand design to reduce the zero-field splitting (ZFS), we demonstrate a q ...

2019

Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies

David Lyndon Emsley, Marc Anthony Caporini

We report dynamic nuclear polarization (DNP)-enhanced magic-angle spinning (MAS) NMR spectroscopy in viral capsids from HIV-1 and bacteriophage AP205. Viruses regulate their life cycles and infectivity through modulation of their structures and dynamics. W ...

2019

Novel osmium(II)-cymene complexes containing curcumin and bisdemethoxycurcumin ligands

Paul Joseph Dyson, Lucinda Kate Batchelor

The first examples of (arene)Os(II) curcuminoid derivatives have been prepared and characterized. The neutral complexes [(p-cym)Os(curc)Cl] (1) and [( p-cym)Os(bdcurc)Cl] ( 2), together with the cationic derivatives [( p-cym)Os(curc)(PTA)][SO3CF3] (3) and ...

ROYAL SOC CHEMISTRY2019

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

David Lyndon Emsley, Arthur César Pinon, Albert Hofstetter, Federico Maria Paruzzo, Martins Balodis

NMR-based crystallography approaches involving the combination of crystal structure prediction methods, ab initio calculated chemical shifts and solid-state NMR experiments are powerful methods for crystal structure determination of microcrystalline powder ...

2019

Measurement of Proton Spin Diffusivity in Hydrated Cementitious Solids

David Lyndon Emsley, Brennan James Walder, Federico Maria Paruzzo, Jayasubba Reddy Yarava, Bradley Floyd Chmelka

The study of hydration and crystallization processes involving inorganic oxides is often complicated by poor long-range order and the formation of heterogeneous domains or surface layers. In solid-state NMR, H-1-H-1 spin diffusion analyses can provide info ...

2019

Magnetic Resonance Spectroscopy in Schizophrenia: Evidence for Glutamatergic Dysfunction and Impaired Energy Metabolism

Lijing Xin, João Miguel das Neves Duarte

In the past couple of decades, major efforts were made to increase reliability of metabolic assessments by magnetic resonance methods. Magnetic resonance spectroscopy (MRS) has been valuable for providing in vivo evidence and investigating biomarkers in ne ...

2019

Exponential decay of the resonance error in numerical homogenization via parabolic and elliptic cell problems

Assyr Abdulle, Doghonay Arjmand, Edoardo Paganoni

This paper presents two new approaches for finding the homogenized coefficients of multiscale elliptic PDEs. Standard approaches for computing the homogenized coefficients sufer from the so-called resonance error, originating from a mismatch between the tr ...

ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER2019

MATHICSE Technical Report : Exponential decay of the resonance error in numerical homogenization via parabolic and elliptic cell problems

Assyr Abdulle, Doghonay Arjmand, Edoardo Paganoni

This paper presents two new approaches for finding the homogenized coefficients of multiscale elliptic PDEs. Standard approaches for computing the homogenized coefficients suffer from the so-called resonance error, originating from a mismatch between the t ...

MATHICSE2019

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Nuclear magnetic resonance spectroscopy of proteins

De novo protein design enables the precise induction of RSV-neutralizing antibodies

A Factor Two Improvement in High-Field Dynamic Nuclear Polarization from Gd(III) Complexes by Design

Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies

Novel osmium(II)-cymene complexes containing curcumin and bisdemethoxycurcumin ligands

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

Measurement of Proton Spin Diffusivity in Hydrated Cementitious Solids

Magnetic Resonance Spectroscopy in Schizophrenia: Evidence for Glutamatergic Dysfunction and Impaired Energy Metabolism

Exponential decay of the resonance error in numerical homogenization via parabolic and elliptic cell problems

MATHICSE Technical Report : Exponential decay of the resonance error in numerical homogenization via parabolic and elliptic cell problems

Homonuclear ADAPT: A general preparation route to long-lived nuclear singlet order

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Chattez avec Graph Search

A Factor Two Improvement in High-Field Dynamic Nuclear Polarization from Gd(III) Complexes by Design

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

Novel osmium(II)-cymene complexes containing curcumin and bisdemethoxycurcumin ligands

Magnetic Resonance Spectroscopy in Schizophrenia: Evidence for Glutamatergic Dysfunction and Impaired Energy Metabolism

Exponential decay of the resonance error in numerical homogenization via parabolic and elliptic cell problems

Homonuclear ADAPT: A general preparation route to long-lived nuclear singlet order

De novo protein design enables the precise induction of RSV-neutralizing antibodies

Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies

Measurement of Proton Spin Diffusivity in Hydrated Cementitious Solids

MATHICSE Technical Report : Exponential decay of the resonance error in numerical homogenization via parabolic and elliptic cell problems