List of works - Steven P Brown

14N-1H HMQC solid-state NMR as a powerful tool to study amorphous formulations - an exemplary study of paclitaxel loaded polymer micelles

scientific article published on 17 June 2020

31P MAS refocused INADEQUATE spin-echo (REINE) NMR spectroscopy: revealing J coupling and chemical shift two-dimensional correlations in disordered solids

scientific article published on 01 August 2009

5-amino-2-methylpyridinium hydrogen fumarate: An XRD and NMR crystallography analysis

scientific article published on 18 March 2020

A G₄·K⁺ hydrogel stabilized by an anion.

scientific article

A Tautoleptic Approach to Chiral Hydrogen-Bonded Supramolecular Tubular Polymers with Large Cavity

scientific article published on 06 September 2018

A curious case of dynamic disorder in pyrrolidine rings elucidated by NMR crystallography

scientific article published on 26 October 2020

A study of a moleculartweezer host-guest system by a combination of quantum-chemical calculations and solid-state NMR experiments

scientific article published in September 2002

Ab initio random structure searching of organic molecular solids: assessment and validation against experimental data.

scientific article published on 25 September 2017

Advanced Solid-State NMR Methods for the Elucidation of Structure and Dynamics of Molecular, Macromolecular, and Supramolecular Systems ⬇️

scientific article published on December 1, 2001

Amyloid Hydrogen Bonding Polymorphism Evaluated by (15)N{(17)O}REAPDOR Solid-State NMR and Ultra-High Resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

scientific article published on 17 March 2016

An NMR Crystallography Investigation of Furosemide

scientific article published on 11 October 2018

An NMR crystallography study of the hemihydrate of 2', 3'-O-isopropylidineguanosine

scientific article

An investigation of the hydrogen-bonding structure in bilirubin by 1H double-quantum magic-angle spinning solid-state NMR spectroscopy

scientific article published in May 2001

An investigation of weak CH...O hydrogen bonds in maltose anomers by a combination of calculation and experimental solid-state NMR spectroscopy

scientific article published in July 2005

Applications of high-resolution 1H solid-state NMR.

scientific article published on 02 December 2011

CHHC and (1)H-(1)H magnetization exchange: analysis by experimental solid-state NMR and 11-spin density-matrix simulations.

scientific article published on 03 May 2009

Co-existence of Distinct Supramolecular Assemblies in Solution and in the Solid State.

scientific article published on 29 November 2016

Complete (1)H resonance assignment of beta-maltose from (1)H-(1)H DQ-SQ CRAMPS and (1)H (DQ-DUMBO)-(13)C SQ refocused INEPT 2D solid-state NMR spectra and first principles GIPAW calculations

scientific article published on 18 May 2010

Density functional theory calculations of hydrogen-bond-mediated NMR J coupling in the solid state

scientific article published on 26 August 2008

Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif

scientific article

Determining hydrogen-bond strengths in the solid state by NMR: the quantitative measurement of homonuclear J couplings

scientific article published on 01 September 2002

Determining relative proton-proton proximities from the build-up of two-dimensional correlation peaks in 1H double-quantum MAS NMR: insight from multi-spin density-matrix simulations

scientific article published on 30 June 2009

Distinguishing anhydrous and hydrous forms of an active pharmaceutical ingredient in a tablet formulation using solid-state NMR spectroscopy.

scientific article

Dynamic Nuclear Polarization enhanced NMR at 187 GHz/284 MHz using an Extended Interaction Klystron amplifier

scientific article published on 02 February 2016

Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids

scientific article published on 3 May 2013

G4-quartet·M(+) borate hydrogels.

scientific article

Golgi-localized STELLO proteins regulate the assembly and trafficking of cellulose synthase complexes in Arabidopsis

scientific article published on 09 June 2016

High-resolution NMR correlation spectra of disordered solids

scientific article published in April 2003

Hydrogen bonding in Alzheimer's amyloid-β fibrils probed by 15N{17O} REAPDOR solid-state NMR spectroscopy

scientific article published on 13 September 2012

Identifying guanosine self assembly at natural isotopic abundance by high-resolution 1H and 13C solid-state NMR spectroscopy

scientific article published on 17 November 2011

Identifying the intermolecular hydrogen-bonding supramolecular synthons in an indomethacin-nicotinamide cocrystal by solid-state NMR

scientific article published on 01 October 2012

In vivo NMR of sodium ions in ordered environments

scientific article published in October 1994

Insights into homonuclear decoupling from efficient numerical simulation: techniques and examples

scientific article published on 16 February 2008

Isolated zirconium centres captured from aqueous solution: the structure of zirconium mandelate revealed from NMR crystallography

scientific article published on 03 August 2020

Longer-range distances by spinning-angle-encoding solid-state NMR spectroscopy

scientific article published on 24 January 2011

Low-load rotor-synchronised Hahn-echo pulse train (RS-HEPT) 1H decoupling in solid-state NMR: factors affecting MAS spin-echo dephasing times

scientific article published in December 2007

Molecular architecture of softwood revealed by solid-state NMR

scientific article published on 31 October 2019

NMR crystallography of campho[2,3-c]pyrazole (Z' = 6): combining high-resolution 1H-13C solid-state MAS NMR spectroscopy and GIPAW chemical-shift calculations

scholarly article by Amy L Webber et al published 30 September 2010 in Journal of Physical Chemistry A

Nanodiamond promotes surfactant-mediated triglyceride removal from a hydrophobic surface at or below room temperature

scientific article published on 15 June 2012

Novel tertiary amine oxide surfaces that resist nonspecific protein adsorption

scientific article published in September 2006

Origins of linewidth in 1H magic-angle spinning NMR

scientific article published on 01 October 2006

Principles of spin-echo modulation by J-couplings in magic-angle-spinning solid-state NMR.

scientific article published in June 2004

Probing Proton−Proton Proximities in the Solid State: High-Resolution Two-Dimensional1H−1H Double-Quantum CRAMPS NMR Spectroscopy

scientific article published on 01 October 2004

Probing heteronuclear (15)N-(17)O and (13)C-(17)O connectivities and proximities by solid-state NMR spectroscopy

scientific article published in February 2009

Probing hydrogen bonding in cocrystals and amorphous dispersions using (14)N-(1)H HMQC solid-state NMR

scientific article published on 12 February 2013

Probing intermolecular hydrogen bonding in sibenadet hydrochloride polymorphs by high-resolution (1) H double-quantum solid-state NMR spectroscopy

scientific article published on 22 February 2012

Probing the molecular architecture of Arabidopsis thaliana secondary cell walls using two- and three-dimensional (13)C solid state nuclear magnetic resonance spectroscopy

scientific article published on 25 March 2015

Quantifying hydrogen-bonding strength: the measurement of 2hJNN couplings in self-assembled guanosines by solid-state 15N spin-echo MAS NMR

scientific article published on 25 April 2007

Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: a combined computational and experimental investigation of NMR chemical shifts in the solid state

scientific article published in January 2008

Rationalising Heteronuclear Decoupling in Refocussing Applications of Solid-State NMR Spectroscopy.

scientific article published on 23 January 2017

Residual dipolar couplings by off-magic-angle spinning in solid-state nuclear magnetic resonance spectroscopy

article

Revealing Intermolecular Hydrogen Bonding Structure and Dynamics in a Deep Eutectic Pharmaceutical by Magic-Angle Spinning NMR Spectroscopy

scientific article published on 13 January 2020

Rotor-encoded heteronuclear MQ MAS NMR spectroscopy of half-integer quadrupolar and spin I=1/2 nuclei

scientific article published on 01 January 2002

Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR.

scientific article published on 13 January 2009

Simulating spin dynamics in organic solids under heteronuclear decoupling

article

Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil

scientific article

Structure and Dynamics of the Host-Guest Complex of a Molecular Tweezer: Coupling Synthesis, Solid-State NMR, and Quantum-Chemical Calculations S.P.B. thanks the Alexander von Humboldt Foundation for a research fellowship. C.O. acknowledges financia

scientific article published on 01 February 2001

Structure assignment in the solid state by the coupling of quantum chemical calculations with NMR experiments: a columnar hexabenzocoronene derivative

scientific article published in March 2001

Structure of molecular tweezer complexes in the solid state: NMR experiments, X-ray investigations, and quantum chemical calculations

scientific article published on 01 February 2007

Supramolecular assembly of dendritic polymers elucidated by 1H and 13C solid-state MAS NMR spectroscopy

scientific article published in October 2003

The 2D MAS NMR spin-echo experiment: the determination of 13C-13C J couplings in a solid-state cellulose sample

scientific article published on 01 November 2004

The determination of 17O NMR parameters of hydroxyl oxygen: a combined deuteration and DOR approach.

scientific article published in December 2007

The refocused INADEQUATE MAS NMR experiment in multiple spin-systems: interpreting observed correlation peaks and optimising lineshapes

scientific article published on 06 June 2007

The use of a selective saturation pulse to suppress t1 noise in two-dimensional (1)H fast magic angle spinning solid-state NMR spectroscopy

scientific article published on 16 September 2015

Towards homonuclear J solid-state NMR correlation experiments for half-integer quadrupolar nuclei: experimental and simulated 11B MAS spin-echo dephasing and calculated 2J(BB) coupling constants for lithium diborate

scientific article published on 14 February 2011

Unexpected effects of third-order cross-terms in heteronuclear spin systems under simultaneous radio-frequency irradiation and magic-angle spinning NMR.

scientific article published in February 2012

Visualising crystal packing interactions in solid-state NMR: Concepts and applications

scientific article

Visualization and processing of computed solid-state NMR parameters: MagresView and MagresPython.

scientific article

Weak Intermolecular CH···N Hydrogen Bonding: Determination of 13CH-15N Hydrogen-Bond Mediated J Couplings by Solid-State NMR Spectroscopy and First-Principles Calculations

scientific article published on 09 January 2020

List of works by Steven P Brown

14N-1H HMQC solid-state NMR as a powerful tool to study amorphous formulations - an exemplary study of paclitaxel loaded polymer micelles

31P MAS refocused INADEQUATE spin-echo (REINE) NMR spectroscopy: revealing J coupling and chemical shift two-dimensional correlations in disordered solids

5-amino-2-methylpyridinium hydrogen fumarate: An XRD and NMR crystallography analysis

A G₄·K⁺ hydrogel stabilized by an anion.

A Tautoleptic Approach to Chiral Hydrogen-Bonded Supramolecular Tubular Polymers with Large Cavity

A curious case of dynamic disorder in pyrrolidine rings elucidated by NMR crystallography

A study of a moleculartweezer host-guest system by a combination of quantum-chemical calculations and solid-state NMR experiments

Ab initio random structure searching of organic molecular solids: assessment and validation against experimental data.

Advanced Solid-State NMR Methods for the Elucidation of Structure and Dynamics of Molecular, Macromolecular, and Supramolecular Systems ⬇️

Amyloid Hydrogen Bonding Polymorphism Evaluated by (15)N{(17)O}REAPDOR Solid-State NMR and Ultra-High Resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

An NMR Crystallography Investigation of Furosemide

An NMR crystallography study of the hemihydrate of 2', 3'-O-isopropylidineguanosine

An investigation of the hydrogen-bonding structure in bilirubin by 1H double-quantum magic-angle spinning solid-state NMR spectroscopy

An investigation of weak CH...O hydrogen bonds in maltose anomers by a combination of calculation and experimental solid-state NMR spectroscopy

Applications of high-resolution 1H solid-state NMR.

CHHC and (1)H-(1)H magnetization exchange: analysis by experimental solid-state NMR and 11-spin density-matrix simulations.

Co-existence of Distinct Supramolecular Assemblies in Solution and in the Solid State.

Complete (1)H resonance assignment of beta-maltose from (1)H-(1)H DQ-SQ CRAMPS and (1)H (DQ-DUMBO)-(13)C SQ refocused INEPT 2D solid-state NMR spectra and first principles GIPAW calculations

Density functional theory calculations of hydrogen-bond-mediated NMR J coupling in the solid state

Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif

Determining hydrogen-bond strengths in the solid state by NMR: the quantitative measurement of homonuclear J couplings

Determining relative proton-proton proximities from the build-up of two-dimensional correlation peaks in 1H double-quantum MAS NMR: insight from multi-spin density-matrix simulations

Distinguishing anhydrous and hydrous forms of an active pharmaceutical ingredient in a tablet formulation using solid-state NMR spectroscopy.

Dynamic Nuclear Polarization enhanced NMR at 187 GHz/284 MHz using an Extended Interaction Klystron amplifier

Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids

G4-quartet·M(+) borate hydrogels.

Golgi-localized STELLO proteins regulate the assembly and trafficking of cellulose synthase complexes in Arabidopsis

High-resolution NMR correlation spectra of disordered solids

Hydrogen bonding in Alzheimer's amyloid-β fibrils probed by 15N{17O} REAPDOR solid-state NMR spectroscopy

Identifying guanosine self assembly at natural isotopic abundance by high-resolution 1H and 13C solid-state NMR spectroscopy

Identifying the intermolecular hydrogen-bonding supramolecular synthons in an indomethacin-nicotinamide cocrystal by solid-state NMR

In vivo NMR of sodium ions in ordered environments

Insights into homonuclear decoupling from efficient numerical simulation: techniques and examples

Isolated zirconium centres captured from aqueous solution: the structure of zirconium mandelate revealed from NMR crystallography

Longer-range distances by spinning-angle-encoding solid-state NMR spectroscopy

Low-load rotor-synchronised Hahn-echo pulse train (RS-HEPT) 1H decoupling in solid-state NMR: factors affecting MAS spin-echo dephasing times

Molecular architecture of softwood revealed by solid-state NMR

NMR crystallography of campho[2,3-c]pyrazole (Z' = 6): combining high-resolution 1H-13C solid-state MAS NMR spectroscopy and GIPAW chemical-shift calculations

Nanodiamond promotes surfactant-mediated triglyceride removal from a hydrophobic surface at or below room temperature

Novel tertiary amine oxide surfaces that resist nonspecific protein adsorption

Origins of linewidth in 1H magic-angle spinning NMR

Principles of spin-echo modulation by J-couplings in magic-angle-spinning solid-state NMR.

Probing Proton−Proton Proximities in the Solid State: High-Resolution Two-Dimensional1H−1H Double-Quantum CRAMPS NMR Spectroscopy

Probing heteronuclear (15)N-(17)O and (13)C-(17)O connectivities and proximities by solid-state NMR spectroscopy

Probing hydrogen bonding in cocrystals and amorphous dispersions using (14)N-(1)H HMQC solid-state NMR

Probing intermolecular hydrogen bonding in sibenadet hydrochloride polymorphs by high-resolution (1) H double-quantum solid-state NMR spectroscopy

Probing the molecular architecture of Arabidopsis thaliana secondary cell walls using two- and three-dimensional (13)C solid state nuclear magnetic resonance spectroscopy

Quantifying hydrogen-bonding strength: the measurement of 2hJNN couplings in self-assembled guanosines by solid-state 15N spin-echo MAS NMR

Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: a combined computational and experimental investigation of NMR chemical shifts in the solid state

Rationalising Heteronuclear Decoupling in Refocussing Applications of Solid-State NMR Spectroscopy.

Residual dipolar couplings by off-magic-angle spinning in solid-state nuclear magnetic resonance spectroscopy

Revealing Intermolecular Hydrogen Bonding Structure and Dynamics in a Deep Eutectic Pharmaceutical by Magic-Angle Spinning NMR Spectroscopy

Rotor-encoded heteronuclear MQ MAS NMR spectroscopy of half-integer quadrupolar and spin I=1/2 nuclei

Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR.

Simulating spin dynamics in organic solids under heteronuclear decoupling

Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil

Structure and Dynamics of the Host-Guest Complex of a Molecular Tweezer: Coupling Synthesis, Solid-State NMR, and Quantum-Chemical Calculations S.P.B. thanks the Alexander von Humboldt Foundation for a research fellowship. C.O. acknowledges financia

Structure assignment in the solid state by the coupling of quantum chemical calculations with NMR experiments: a columnar hexabenzocoronene derivative

Structure of molecular tweezer complexes in the solid state: NMR experiments, X-ray investigations, and quantum chemical calculations

Supramolecular assembly of dendritic polymers elucidated by 1H and 13C solid-state MAS NMR spectroscopy

The 2D MAS NMR spin-echo experiment: the determination of 13C-13C J couplings in a solid-state cellulose sample

The determination of 17O NMR parameters of hydroxyl oxygen: a combined deuteration and DOR approach.

The refocused INADEQUATE MAS NMR experiment in multiple spin-systems: interpreting observed correlation peaks and optimising lineshapes

The use of a selective saturation pulse to suppress t1 noise in two-dimensional (1)H fast magic angle spinning solid-state NMR spectroscopy

Towards homonuclear J solid-state NMR correlation experiments for half-integer quadrupolar nuclei: experimental and simulated 11B MAS spin-echo dephasing and calculated 2J(BB) coupling constants for lithium diborate

Unexpected effects of third-order cross-terms in heteronuclear spin systems under simultaneous radio-frequency irradiation and magic-angle spinning NMR.

Visualising crystal packing interactions in solid-state NMR: Concepts and applications

Visualization and processing of computed solid-state NMR parameters: MagresView and MagresPython.

Weak Intermolecular CH···N Hydrogen Bonding: Determination of 13CH-15N Hydrogen-Bond Mediated J Couplings by Solid-State NMR Spectroscopy and First-Principles Calculations