List of works - Sam Hay

1H, 15N, 13C backbone resonance assignments of human soluble catechol O-methyltransferase in complex with S-adenosyl-L-methionine and 3,5-dinitrocatechol

scientific article published on 15 December 2016

A common mechanism for coenzyme cobalamin-dependent reductive dehalogenases

scientific article published on 13 February 2017

A perspective on conformational control of electron transfer in nitric oxide synthases

scientific article published on 9 September 2016

A quantitative fluorescence-based steady-state assay of DNA polymerase

scientific article published on April 2014

An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme

scientific article published on 16 November 2016

Are Environmentally Coupled Enzymatic Hydrogen Tunneling Reactions Influenced by Changes in Solution Viscosity?

scientific article published on 01 January 2008

Are the catalytic properties of enzymes from piezophilic organisms pressure adapted?

scientific article

Atomistic insight into the origin of the temperature-dependence of kinetic isotope effects and H-tunnelling in enzyme systems is revealed through combined experimental studies and biomolecular simulation.

scientific article published on February 2008

Barrier compression and its contribution to both classical and quantum mechanical aspects of enzyme catalysis.

scientific article published on January 2010

Barrier compression enhances an enzymatic hydrogen-transfer reaction.

scientific article published in January 2009

Bipartite recognition and conformational sampling mechanisms for hydride transfer from nicotinamide coenzyme to FMN in pentaerythritol tetranitrate reductase

scientific article published on 31 July 2009

Carboxylesterase converts Amplex red to resorufin: Implications for mitochondrial H2O2 release assays

scientific article

Chelator-Based Parameterization of the 12-6-4 Lennard-Jones Molecular Mechanics Potential for More Realistic Metal Ion–Protein Interactions

scientific article published on 23 March 2022

Conformational and Thermodynamic Control of Electron Transfer in Neuronal Nitric Oxide Synthase†

scientific article published on 06 April 2007

Conformational dynamics of the cytochrome P450 BM3/N-palmitoylglycine complex: the proposed "proximal-distal" transition probed by temperature-jump spectroscopy.

scientific article published on 16 June 2007

Convergence of theory and experiment on the role of preorganization, quantum tunneling and enzyme motions into flavoenzyme-catalyzed hydride transfer.

scientific article

Conversion of the Escherichia coli cytochrome b562 to an archetype cytochrome b: a mutant with bis-histidine ligation of heme iron

scientific article

Correction of pre-steady-state KIEs for isotopic impurities and the consequences of kinetic isotope fractionation

scientific article

Correlating Calmodulin Landscapes with Chemical Catalysis in Neuronal Nitric Oxide Synthase using Time-Resolved FRET and a 5-Deazaflavin Thermodynamic Trap

scientific article

DNA binding suppresses human AIF-M2 activity and provides a connection between redox chemistry, reactive oxygen species, and apoptosis

scientific article (publication date: 12 October 2007)

Decoupled Associative and Dissociative Processes in Strong yet Highly Dynamic Host-Guest Complexes.

scientific article published on 29 June 2017

Deep tunneling dominates the biologically important hydride transfer reaction from NADH to FMN in morphinone reductase

scientific article published on 10 May 2008

Demonstration of proton-coupled electron transfer in the copper-containing nitrite reductases

scientific article published on 7 July 2009

Direct analysis of donor-acceptor distance and relationship to isotope effects and the force constant for barrier compression in enzymatic H-tunneling reactions

scientific article published on August 2010

Does the pressure dependence of kinetic isotope effects report usefully on dynamics in enzyme H-transfer reactions?

scientific article

Donor-Acceptor Distance Sampling Enhances the Performance of "Better than Nature" Nicotinamide Coenzyme Biomimetics.

scientific article

Driving force analysis of proton tunnelling across a reactivity series for an enzyme-substrate complex.

scientific article

Dual transcriptional-translational cascade permits cellular level tuneable expression control.

scientific article published on 23 September 2015

Dynamic, electrostatic model for the generation and control of high-energy radical intermediates by a coenzyme B₁₂-dependent enzyme.

scientific article published on 19 August 2013

Electrochemical and structural properties of a protein system designed to generate tyrosine Pourbaix diagrams

scientific article published on 19 October 2011

Energy landscapes and catalysis in nitric-oxide synthase

scientific article published on 7 March 2014

Enzymatic C-H activation of aromatic compounds through CO2 fixation

scientific article published on 27 July 2020

Enzymatic Single-Molecule Kinetic Isotope Effects

scientific article published on 19 February 2013

Enzymatic control of cycloadduct conformation ensures reversible 1,3-dipolar cycloaddition in a prFMN-dependent decarboxylase

scientific article published on 16 September 2019

Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification.

scientific article published on 16 September 2015

Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol--methyltransferase

Evaluating spectral overlap with the degree of quenching in UCP luminescence energy transfer systems

scientific article published on 16 May 2019

Evidence of preorganization in quinonoid intermediate formation from L-Trp in H463F mutant Escherichia coli tryptophan indole-lyase from effects of pressure and pH.

scientific article published on 10 August 2012

Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction

scientific article

Examining the importance of dynamics, barrier compression and hydrogen tunnelling in enzyme catalysed reactions

article published in 2011

Excited state dynamics can be used to probe donor-acceptor distances for H-tunneling reactions catalyzed by flavoproteins

scientific article published on December 2013

Expanding the Scope of Biomolecule Monitoring with Ratiometric Signaling from Rare-Earth Upconverting Phosphors

Fast protein motions are coupled to enzyme H-transfer reactions

scientific article published on 11 February 2013

Gating mechanisms for biological electron transfer: integrating structure with biophysics reveals the nature of redox control in cytochrome P450 reductase and copper-dependent nitrite reductase.

scientific article published on 14 July 2011

Good vibrations in enzyme-catalysed reactions

scientific article

Graphene-aramid nanocomposite fibres via superacid co-processing

scientific article published on 01 September 2019

Ground-State Destabilization by Phe-448 and Phe-449 Contributes to Tyrosine Phenol-Lyase Catalysis

H-transfers in Photosystem II: what can we learn from recent lessons in the enzyme community?

scientific article published on 03 September 2008

Incorporation of hydrostatic pressure into models of hydrogen tunneling highlights a role for pressure-modulated promoting vibrations

scientific article published on 22 August 2008

Inter-flavin electron transfer in cytochrome P450 reductase - effects of solvent and pH identify hidden complexity in mechanism.

scientific article

Is There a Dynamic Protein Contribution to the Substrate Trigger in Coenzyme B12-Dependent Ethanolamine Ammonia Lyase?

scientific article published on 22 September 2011

Kinetic and spectroscopic probes of motions and catalysis in the cytochrome P450 reductase family of enzymes

scientific article published on 09 January 2012

Magnetic field effect studies indicate reduced geminate recombination of the radical pair in substrate-bound adenosylcobalamin-dependent ethanolamine ammonia lyase

scientific article published on 28 November 2007

Making a single-chain four-helix bundle for redox chemistry studies

scientific article published on 28 August 2008

MhuD from Mycobacterium tuberculosis: Probing a Dual Role in Heme Storage and Degradation

scientific article published on 11 September 2019

Modulation of ligand-heme reactivity by binding pocket residues demonstrated in cytochrome c' over the femtosecond-second temporal range.

scientific article published on 11 October 2013

Moving a phenol hydroxyl group from the surface to the interior of a protein: effects on the phenol potential and pK(A).

scientific article published in September 2005

Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms

scientific article

Nature of the Energy Landscape for Gated Electron Transfer in a Dynamic Redox Protein

scientific article published on 01 July 2010

New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. ⬇️

scientific article published on 17 June 2015

Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.

scientific article

Nuclear quantum tunnelling in enzymatic reactions – an enzymologist's perspective

scientific article published on 01 December 2015

O21. Ca2+-calmodulin exerts thermodynamic and conformational regulation over electron transport in nNOS

Parallel pathways and free-energy landscapes for enzymatic hydride transfer probed by hydrostatic pressure

scientific article

Photochemical Spin Dynamics of the Vitamin B12 Derivative, Methylcobalamin

scientific article published on 23 May 2019

Practical aspects on the use of kinetic isotope effects as probes of flavoprotein enzyme mechanisms

scientific article published in January 2014

Preparation and photophysical properties of a caged kynurenine

scientific article published on 06 March 2012

Pressure Effects on Enzyme-Catalyzed Quantum Tunneling Events Arise from Protein-Specific Structural and Dynamic Changes

scientific article published on 05 June 2012

Pressurized CO2 as a carboxylating agent for the biocatalytic ortho-carboxylation of resorcinol.

scientific article

Probing active site geometry using high pressure and secondary isotope effects in an enzyme-catalysed 'deep' H-tunnelling reaction

scientific article published on July 2010

Probing reversible chemistry in coenzyme B12 -dependent ethanolamine ammonia lyase with kinetic isotope effects

scientific article published on 7 May 2015

Promoting motions in enzyme catalysis probed by pressure studies of kinetic isotope effects

scholarly article

Protein engineering of cytochrome b562 for quinone binding and light-induced electron transfer

scientific article

Protein motions are coupled to the reaction chemistry in coenzyme B12-dependent ethanolamine ammonia lyase

scientific article published on 15 August 2012

Proton tunneling in aromatic amine dehydrogenase is driven by a short-range sub-picosecond promoting vibration: consistency of simulation and theory with experiment

scientific article published on 17 February 2007

Proton tunnelling and promoting vibrations during the oxidation of ascorbate by ferricyanide?

article

Ratiometric detection of enzyme turnover and flavin reduction using rare-earth upconverting phosphors

scientific article published on 01 April 2014

Real-time analysis of conformational control in electron transfer reactions of human cytochrome P450 reductase with cytochrome c

scientific article published on 26 August 2015

Redox characteristics of a de novo quinone protein

scientific article published on 10 March 2007

Reductive dehalogenase structure suggests a mechanism for B12-dependent dehalogenation

scientific article published on 19 October 2014

Relating localized protein motions to the reaction coordinate in coenzyme B₁₂-dependent enzymes

scientific article published on 21 March 2013

Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions

scientific article published in August 2008

Solvent as a probe of active site motion and chemistry during the hydrogen tunnelling reaction in morphinone reductase.

scientific article published in September 2008

Structural and mechanistic aspects of flavoproteins: probes of hydrogen tunnelling

scientific article published on 03 July 2009

Structure and Mechanism of a Viral Collagen Prolyl Hydroxylase

scientific article

Time Course Analysis of Enzyme-Catalyzed DNA Polymerization

scientific article

Towards the free energy landscape for catalysis in mammalian nitric oxide synthases.

scientific article published on 09 December 2014

UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis

scientific journal article

Ultrafast infrared spectral fingerprints of vitamin B12 and related cobalamins

scientific article published in June 2012

Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis

scientific article published on 29 May 2019

Untangling heavy protein and cofactor isotope effects on enzyme- catalyzed hydride transfer.

scientific article published on 27 September 2016

What are the signatures of tunnelling in enzyme-catalysed reactions?

scientific article published on 01 December 2019

Zero-point energy and tunnelling: general discussion

scientific article published on 01 December 2019

α-Secondary Isotope Effects as Probes of “Tunneling-Ready” Configurations in Enzymatic H-Tunneling: Insight from Environmentally Coupled Tunneling Models

article

List of works by Sam Hay

1H, 15N, 13C backbone resonance assignments of human soluble catechol O-methyltransferase in complex with S-adenosyl-L-methionine and 3,5-dinitrocatechol

A common mechanism for coenzyme cobalamin-dependent reductive dehalogenases

A perspective on conformational control of electron transfer in nitric oxide synthases

A quantitative fluorescence-based steady-state assay of DNA polymerase

An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme

Are Environmentally Coupled Enzymatic Hydrogen Tunneling Reactions Influenced by Changes in Solution Viscosity?

Are the catalytic properties of enzymes from piezophilic organisms pressure adapted?

Atomistic insight into the origin of the temperature-dependence of kinetic isotope effects and H-tunnelling in enzyme systems is revealed through combined experimental studies and biomolecular simulation.

Barrier compression and its contribution to both classical and quantum mechanical aspects of enzyme catalysis.

Barrier compression enhances an enzymatic hydrogen-transfer reaction.

Bipartite recognition and conformational sampling mechanisms for hydride transfer from nicotinamide coenzyme to FMN in pentaerythritol tetranitrate reductase

Carboxylesterase converts Amplex red to resorufin: Implications for mitochondrial H2O2 release assays

Chelator-Based Parameterization of the 12-6-4 Lennard-Jones Molecular Mechanics Potential for More Realistic Metal Ion–Protein Interactions

Conformational and Thermodynamic Control of Electron Transfer in Neuronal Nitric Oxide Synthase†

Conformational dynamics of the cytochrome P450 BM3/N-palmitoylglycine complex: the proposed "proximal-distal" transition probed by temperature-jump spectroscopy.

Convergence of theory and experiment on the role of preorganization, quantum tunneling and enzyme motions into flavoenzyme-catalyzed hydride transfer.

Conversion of the Escherichia coli cytochrome b562 to an archetype cytochrome b: a mutant with bis-histidine ligation of heme iron

Correction of pre-steady-state KIEs for isotopic impurities and the consequences of kinetic isotope fractionation

Correlating Calmodulin Landscapes with Chemical Catalysis in Neuronal Nitric Oxide Synthase using Time-Resolved FRET and a 5-Deazaflavin Thermodynamic Trap

DNA binding suppresses human AIF-M2 activity and provides a connection between redox chemistry, reactive oxygen species, and apoptosis

Decoupled Associative and Dissociative Processes in Strong yet Highly Dynamic Host-Guest Complexes.

Deep tunneling dominates the biologically important hydride transfer reaction from NADH to FMN in morphinone reductase

Demonstration of proton-coupled electron transfer in the copper-containing nitrite reductases

Direct analysis of donor-acceptor distance and relationship to isotope effects and the force constant for barrier compression in enzymatic H-tunneling reactions

Does the pressure dependence of kinetic isotope effects report usefully on dynamics in enzyme H-transfer reactions?

Donor-Acceptor Distance Sampling Enhances the Performance of "Better than Nature" Nicotinamide Coenzyme Biomimetics.

Driving force analysis of proton tunnelling across a reactivity series for an enzyme-substrate complex.

Dual transcriptional-translational cascade permits cellular level tuneable expression control.

Dynamic, electrostatic model for the generation and control of high-energy radical intermediates by a coenzyme B₁₂-dependent enzyme.

Electrochemical and structural properties of a protein system designed to generate tyrosine Pourbaix diagrams

Energy landscapes and catalysis in nitric-oxide synthase

Enzymatic C-H activation of aromatic compounds through CO2 fixation

Enzymatic Single-Molecule Kinetic Isotope Effects

Enzymatic control of cycloadduct conformation ensures reversible 1,3-dipolar cycloaddition in a prFMN-dependent decarboxylase

Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification.

Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol--methyltransferase

Evaluating spectral overlap with the degree of quenching in UCP luminescence energy transfer systems

Evidence of preorganization in quinonoid intermediate formation from L-Trp in H463F mutant Escherichia coli tryptophan indole-lyase from effects of pressure and pH.

Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction

Examining the importance of dynamics, barrier compression and hydrogen tunnelling in enzyme catalysed reactions

Excited state dynamics can be used to probe donor-acceptor distances for H-tunneling reactions catalyzed by flavoproteins

Expanding the Scope of Biomolecule Monitoring with Ratiometric Signaling from Rare-Earth Upconverting Phosphors

Fast protein motions are coupled to enzyme H-transfer reactions

Gating mechanisms for biological electron transfer: integrating structure with biophysics reveals the nature of redox control in cytochrome P450 reductase and copper-dependent nitrite reductase.

Good vibrations in enzyme-catalysed reactions

Graphene-aramid nanocomposite fibres via superacid co-processing

Ground-State Destabilization by Phe-448 and Phe-449 Contributes to Tyrosine Phenol-Lyase Catalysis

H-transfers in Photosystem II: what can we learn from recent lessons in the enzyme community?

Incorporation of hydrostatic pressure into models of hydrogen tunneling highlights a role for pressure-modulated promoting vibrations

Inter-flavin electron transfer in cytochrome P450 reductase - effects of solvent and pH identify hidden complexity in mechanism.

Is There a Dynamic Protein Contribution to the Substrate Trigger in Coenzyme B12-Dependent Ethanolamine Ammonia Lyase?

Kinetic and spectroscopic probes of motions and catalysis in the cytochrome P450 reductase family of enzymes

Magnetic field effect studies indicate reduced geminate recombination of the radical pair in substrate-bound adenosylcobalamin-dependent ethanolamine ammonia lyase

Making a single-chain four-helix bundle for redox chemistry studies

MhuD from Mycobacterium tuberculosis: Probing a Dual Role in Heme Storage and Degradation

Modulation of ligand-heme reactivity by binding pocket residues demonstrated in cytochrome c' over the femtosecond-second temporal range.

Moving a phenol hydroxyl group from the surface to the interior of a protein: effects on the phenol potential and pK(A).

Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms

Nature of the Energy Landscape for Gated Electron Transfer in a Dynamic Redox Protein

New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. ⬇️

Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.

Nuclear quantum tunnelling in enzymatic reactions – an enzymologist's perspective

O21. Ca2+-calmodulin exerts thermodynamic and conformational regulation over electron transport in nNOS

Parallel pathways and free-energy landscapes for enzymatic hydride transfer probed by hydrostatic pressure

Photochemical Spin Dynamics of the Vitamin B12 Derivative, Methylcobalamin

Practical aspects on the use of kinetic isotope effects as probes of flavoprotein enzyme mechanisms

Preparation and photophysical properties of a caged kynurenine

Pressure Effects on Enzyme-Catalyzed Quantum Tunneling Events Arise from Protein-Specific Structural and Dynamic Changes

Pressurized CO2 as a carboxylating agent for the biocatalytic ortho-carboxylation of resorcinol.

Probing active site geometry using high pressure and secondary isotope effects in an enzyme-catalysed 'deep' H-tunnelling reaction

Probing reversible chemistry in coenzyme B12 -dependent ethanolamine ammonia lyase with kinetic isotope effects

Promoting motions in enzyme catalysis probed by pressure studies of kinetic isotope effects

Protein engineering of cytochrome b562 for quinone binding and light-induced electron transfer

Protein motions are coupled to the reaction chemistry in coenzyme B12-dependent ethanolamine ammonia lyase

Proton tunneling in aromatic amine dehydrogenase is driven by a short-range sub-picosecond promoting vibration: consistency of simulation and theory with experiment

Proton tunnelling and promoting vibrations during the oxidation of ascorbate by ferricyanide?

Ratiometric detection of enzyme turnover and flavin reduction using rare-earth upconverting phosphors

Real-time analysis of conformational control in electron transfer reactions of human cytochrome P450 reductase with cytochrome c

Redox characteristics of a de novo quinone protein