List of works - Tell Tuttle

A Computational Study of Anionic Alkoxide-Allene and Amide-Allene Cyclizations

A QM/MM Study of the Bergman Reaction of Dynemicin A in the Minor Groove of DNA

A single emitting layer white OLED based on exciplex interface emission

article by Enrico Angioni et al published 2016 in Journal of Materials Chemistry C

An Ambipolar BODIPY Derivative for a White Exciplex OLED and Cholesteric Liquid Crystal Laser toward Multifunctional Devices.

scientific article

An efficient methyltrioxorhenium(VII)-catalyzed transformation of hydrotrioxides (ROOOH) into dihydrogen trioxide (HOOOH).

scientific article

Analysis of long-range NMR spin-spin coupling in polyenes and the pi-mechanism

scientific article published in February 2005

Analysis of the NMR Spin−Spin Coupling Mechanism Across a H−Bond: Nature of the H-Bond in Proteins

article published in 2004

Analysis of the NMR through-space coupling mechanism between 19F atoms

Aromatic peptide amphiphiles: significance of the Fmoc moiety.

scientific article

Assessing the utility of infrared spectroscopy as a structural diagnostic tool for β-sheets in self-assembling aromatic peptide amphiphiles.

scientific article published on 16 July 2013

Averaging Semiempirical NMR Chemical Shifts: Dynamic Effects on the Subpicosecond Time Scale†

scientific article published on 01 October 2009

Beyond Tripeptides Two-Step Active Machine Learning for Very Large Data sets

scientific article published on 27 April 2021

Biocatalytic Self-Assembly of Tripeptide Gels and Emulsions

scientific article

CHARMM force field parameterization protocol for self-assembling peptide amphiphiles: the Fmoc moiety

scientific article published on 01 February 2016

Comment on "Solvent effect on the electronic spectra of azine dyes under alkaline condition".

scientific article

Computational Approaches to Understanding the Self-assembly of Peptide-based Nanostructures

Computational prediction of tripeptide-dipeptide co-assembly

Concerted Nucleophilic Aromatic Substitution Reactions

scientific article published on 13 September 2019

Cooperative, ion-sensitive co-assembly of tripeptide hydrogels

scientific article published on 01 August 2017

C–C bond-forming reactions of ground-state aryl halides under reductive activation

Decomposition of nuclear magnetic resonance spin–spin coupling constants into active and passive orbital contributions

scientific article published on 01 June 2004

Design of a new warhead for the natural enediyne dynemicin A. An increase of biological activity

scientific article published on 13 February 2008

Dihydrogen trioxide clusters, (HOOOH)n (n = 2-4), and the hydrogen-bonded complexes of HOOOH with acetone and dimethyl ether: implications for the decomposition of HOOOH.

scientific article published on 13 August 2008

Discovery of catalytic phages by biocatalytic self-assembly

scientific article published on 29 October 2014

Docking, triggering, and biological activity of dynemicin A in DNA: a computational study

scientific article

Dual Roles for Potassium Hydride in Haloarene Reduction: CSNAr and Single Electron Transfer Reduction via Organic Electron Donors Formed in Benzene

scientific article published on 30 August 2018

Effect of alkali on methylene blue (C.I. Basic Blue 9) and other thiazine dyes

Electron Transfer Reactions: KOtBu (but not NaOtBu) Photoreduces Benzophenone under Activation by Visible Light

scientific article published on 24 July 2018

Elucidation of the Electronic Structure of Molecules with the Help of NMR Spin−Spin Coupling Constants: The FH Molecule

scientific article published on 01 March 2005

Elucidation of the bonding of a near infrared dye to hollow gold nanospheres - a chalcogen tripod

Enzymatically activated emulsions stabilised by interfacial nanofibre networks

Evaluating the thermal vinylcyclopropane rearrangement (VCPR) as a practical method for the synthesis of difluorinated cyclopentenes: experimental and computational studies of rearrangement stereospecificity

scientific article

Evidence for the HOOO(-) anion in the ozonation of 1,3-dioxolanes: hemiortho esters as the primary products

scientific article published in September 2002

Evidence of single electron transfer from the enolate anion of an N,N'-dialkyldiketopiperazine additive in BHAS coupling reactions

scientific article published on 12 October 2017

Exploiting CH-π interactions in supramolecular hydrogels of aromatic carbohydrate amphiphiles

Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels

scientific article published on 08 December 2014

Forming a ruthenium isomerisation catalyst from Grubbs II: a DFT study

scientific article published on 01 June 2014

Guiding principles for peptide nanotechnology through directed discovery

scientific article published on 01 May 2018

Hemiortho esters and hydrotrioxides as the primary products in the low-temperature ozonation of cyclic acetals: an experimental and theoretical investigation

scientific article

Hydrotrioxides rather than cyclic tetraoxides (tetraoxolanes) as the primary reaction intermediates in the low-temperature ozonation of aldehydes. The case of benzaldehyde

scientific article

Identifying the Roles of Amino Acids, Alcohols and 1,2-Diamines as Mediators in Coupling of Haloarenes to Arenes

scientific article published on 12 December 2014

Imidazole-derived carbenes and their elusive tetraazafulvalene dimers

Incorporation of perfluorohexyl-functionalised thiophenes into oligofluorene-truxenes: synthesis and physical properties

scientific article published on 27 June 2013

Influence of Solvent in Controlling Peptide-Surface Interactions

scientific article published on 18 September 2015

Integrating Computation, Experiment, and Machine Learning in the Design of Peptide‐Based Supramolecular Materials and Systems

scientific article published in 2023

Investigation of the NMR spin-spin coupling constants across the hydrogen bonds in ubiquitin: the nature of the hydrogen bond as reflected by the coupling mechanism

scientific article published in April 2004

Investigation of the Ultrafast Dynamics Occurring during Unsensitized Photocatalytic H2 Evolution by an [FeFe]-Hydrogenase Subsite Analogue

scholarly article by Pim W. J. M. Frederix et al published 24 July 2014 in Organometallics

Iridium-Catalysed ortho-Directed Deuterium Labelling of Aromatic Esters—An Experimental and Theoretical Study on Directing Group Chemoselectivity

article

Iridium-Catalyzed C–H Activation and Deuteration of Primary Sulfonamides: An Experimental and Computational Study

article

KOBu as a Single Electron Donor? Revisiting the Halogenation of Alkanes with CBr₄ and CCl₄

KOtBu: A Privileged Reagent for Electron Transfer Reactions?

scientific article

Latrunculin analogues with improved biological profiles by "diverted total synthesis": preparation, evaluation, and computational analysis

scientific article

Lithium-Aluminate-Catalyzed Hydrophosphination Applications

scientific article published on 25 July 2019

Mechanism of Olefin Hydrosilylation Catalyzed by RuCl2(CO)2(PPh3)2: A DFT Study†

Mechanism of formation of hydrogen trioxide (HOOOH) in the ozonation of 1,2-diphenylhydrazine and 1,2-dimethylhydrazine: an experimental and theoretical investigation

scientific article

Mechanism of olefin hydrosilylation catalyzed by [RuCl(NCCH3)5]+: A DFT study

Mechanistic insights of evaporation-induced actuation in supramolecular crystals

scientific article published on 14 September 2020

Metal-free reductive cleavage of C-N and S-N bonds by photoactivated electron transfer from a neutral organic donor

scientific article published on 6 December 2013

Molecular dynamics simulations reveal disruptive self-assembly in dynamic peptide libraries

scientific article published on 26 July 2017

New Insights into the Catalytic Mechanism of Aldose Reductase: A QM/MM Study

OMx-D: semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical application

scientific article published on 25 February 2008

Oligothiophene Cruciform with a Germanium Spiro Center: A Promising Material for Organic Photovoltaics

article

Organic super-electron-donors: initiators in transition metal-free haloarene–arene coupling

Organobase-Catalyzed Amidation of Esters with Amino Alcohols

scientific article published on 02 May 2013

Overturning established chemoselectivities: selective reduction of arenes over malonates and cyanoacetates by photoactivated organic electron donors

scientific article published on 19 July 2013

Polymeric peptide pigments with sequence-encoded properties

scientific article published in June 2017

Practically convenient and industrially-aligned methods for iridium-catalysed hydrogen isotope exchange processes

scientific article published on 22 April 2014

Predicting the UV-vis spectra of oxazine dyes

scientific article published on 15 April 2011

Predicting the reducing power of organic super electron donors

scholarly article in RSC Advances, vol. 6 no. 14, 2016

Reductions of challenging organic substrates by a nickel complex of a noninnocent crown carbene ligand

scientific article published on November 2010

Reductive cleavage of sulfones and sulfonamides by a neutral organic super-electron-donor (S.E.D.) reagent

scientific article

Ruthenium based catalysts for olefin hydrosilylation: dichloro(p-cymene)ruthenium and related complexes.

scientific article published on 8 April 2009

Sequence/structure relationships in aromatic dipeptide hydrogels formed under thermodynamic control by enzyme-assisted self-assembly

Site-Selective Deuteration of N-Heterocycles via Iridium-Catalyzed Hydrogen Isotope Exchange

scholarly article by William J. Kerr et al published 25 September 2017 in ACS Catalysis

Solution processable diketopyrrolopyrrole (DPP) cored small molecules with BODIPY end groups as novel donors for organic solar cells

scientific article published on 18 November 2014

Stabilization of metastable hydrogen trioxide (HOOOH) and the hydrotrioxyl radical (HOOO) by complexation with sulfuric acid. A theoretical study

Structural tracking of the potassium-mediated magnesiation of anisole

scientific article published on October 2009

Substrate Orientation in 4-Oxalocrotonate Tautomerase and Its Effect on QM/MM Energy Profiles

Superelectrophilic Amidine Dications: Dealkylation by Triflate Anion

scientific article published on 13 July 2012

Supramolecular Fibers in Gels Can Be at Thermodynamic Equilibrium: A Simple Packing Model Reveals Preferential Fibril Formation versus Crystallization

scientific article published on 29 January 2016

Synthesis and properties of novel star-shaped oligofluorene conjugated systems with BODIPY cores.

scientific article published on 19 November 2014

The Reactivity of Calicheamicin γ1I in the Minor Groove of DNA: The Decisive Role of the Environment

scientific article published on 01 January 2007

The Synthesis of Highly Active Iridium(I) Complexes and their Application in Catalytic Hydrogen Isotope Exchange

article

The electronic structure of iron corroles: a combined experimental and quantum chemical study

scientific article published in January 2008

The generation of aryl anions by double electron transfer to aryl iodides from a neutral ground-state organic super-electron donor

scientific article published in January 2007

The ozonation of silanes and germanes: an experimental and theoretical investigation.

scientific article

The search for protonated dihydrogen trioxide (HOOOH): insights from theory and experiment.

scientific article

Thiazole-induced rigidification in substituted dithieno-tetrathiafulvalene: the effect of planarisation on charge transport properties

scientific article published on 10 July 2015

Towards a quantitative understanding of palladium metal scavenger performance: an electronic structure calculation approach

scientific article published on 11 October 2013

Tripeptide Emulsifiers

scientific article published on 07 December 2015

Understanding the enzymatic activity of 4-oxalocrotonate tautomerase and its mutant analogues: a computational study

scientific article published in October 2006

Using experimental and computational energy equilibration to understand hierarchical self-assembly of Fmoc-dipeptide amphiphiles.

scientific article

List of works by Tell Tuttle

A Computational Study of Anionic Alkoxide-Allene and Amide-Allene Cyclizations

A QM/MM Study of the Bergman Reaction of Dynemicin A in the Minor Groove of DNA

A single emitting layer white OLED based on exciplex interface emission

An Ambipolar BODIPY Derivative for a White Exciplex OLED and Cholesteric Liquid Crystal Laser toward Multifunctional Devices.

An efficient methyltrioxorhenium(VII)-catalyzed transformation of hydrotrioxides (ROOOH) into dihydrogen trioxide (HOOOH).

Analysis of long-range NMR spin-spin coupling in polyenes and the pi-mechanism

Analysis of the NMR Spin−Spin Coupling Mechanism Across a H−Bond: Nature of the H-Bond in Proteins

Analysis of the NMR through-space coupling mechanism between 19F atoms

Aromatic peptide amphiphiles: significance of the Fmoc moiety.

Assessing the utility of infrared spectroscopy as a structural diagnostic tool for β-sheets in self-assembling aromatic peptide amphiphiles.

Averaging Semiempirical NMR Chemical Shifts: Dynamic Effects on the Subpicosecond Time Scale†

Beyond Tripeptides Two-Step Active Machine Learning for Very Large Data sets

Biocatalytic Self-Assembly of Tripeptide Gels and Emulsions

CHARMM force field parameterization protocol for self-assembling peptide amphiphiles: the Fmoc moiety

Comment on "Solvent effect on the electronic spectra of azine dyes under alkaline condition".

Computational Approaches to Understanding the Self-assembly of Peptide-based Nanostructures

Computational prediction of tripeptide-dipeptide co-assembly

Concerted Nucleophilic Aromatic Substitution Reactions

Cooperative, ion-sensitive co-assembly of tripeptide hydrogels

C–C bond-forming reactions of ground-state aryl halides under reductive activation

Decomposition of nuclear magnetic resonance spin–spin coupling constants into active and passive orbital contributions

Design of a new warhead for the natural enediyne dynemicin A. An increase of biological activity

Dihydrogen trioxide clusters, (HOOOH)n (n = 2-4), and the hydrogen-bonded complexes of HOOOH with acetone and dimethyl ether: implications for the decomposition of HOOOH.

Discovery of catalytic phages by biocatalytic self-assembly

Docking, triggering, and biological activity of dynemicin A in DNA: a computational study

Dual Roles for Potassium Hydride in Haloarene Reduction: CSNAr and Single Electron Transfer Reduction via Organic Electron Donors Formed in Benzene

Effect of alkali on methylene blue (C.I. Basic Blue 9) and other thiazine dyes

Electron Transfer Reactions: KOtBu (but not NaOtBu) Photoreduces Benzophenone under Activation by Visible Light

Elucidation of the Electronic Structure of Molecules with the Help of NMR Spin−Spin Coupling Constants: The FH Molecule

Elucidation of the bonding of a near infrared dye to hollow gold nanospheres - a chalcogen tripod

Enzymatically activated emulsions stabilised by interfacial nanofibre networks

Evaluating the thermal vinylcyclopropane rearrangement (VCPR) as a practical method for the synthesis of difluorinated cyclopentenes: experimental and computational studies of rearrangement stereospecificity

Evidence for the HOOO(-) anion in the ozonation of 1,3-dioxolanes: hemiortho esters as the primary products

Evidence of single electron transfer from the enolate anion of an N,N'-dialkyldiketopiperazine additive in BHAS coupling reactions

Exploiting CH-π interactions in supramolecular hydrogels of aromatic carbohydrate amphiphiles

Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels

Forming a ruthenium isomerisation catalyst from Grubbs II: a DFT study

Guiding principles for peptide nanotechnology through directed discovery

Hemiortho esters and hydrotrioxides as the primary products in the low-temperature ozonation of cyclic acetals: an experimental and theoretical investigation

Hydrotrioxides rather than cyclic tetraoxides (tetraoxolanes) as the primary reaction intermediates in the low-temperature ozonation of aldehydes. The case of benzaldehyde

Identifying the Roles of Amino Acids, Alcohols and 1,2-Diamines as Mediators in Coupling of Haloarenes to Arenes

Imidazole-derived carbenes and their elusive tetraazafulvalene dimers

Incorporation of perfluorohexyl-functionalised thiophenes into oligofluorene-truxenes: synthesis and physical properties

Influence of Solvent in Controlling Peptide-Surface Interactions

Integrating Computation, Experiment, and Machine Learning in the Design of Peptide‐Based Supramolecular Materials and Systems

Investigation of the NMR spin-spin coupling constants across the hydrogen bonds in ubiquitin: the nature of the hydrogen bond as reflected by the coupling mechanism

Investigation of the Ultrafast Dynamics Occurring during Unsensitized Photocatalytic H2 Evolution by an [FeFe]-Hydrogenase Subsite Analogue

Iridium-Catalysed ortho-Directed Deuterium Labelling of Aromatic Esters—An Experimental and Theoretical Study on Directing Group Chemoselectivity

Iridium-Catalyzed C–H Activation and Deuteration of Primary Sulfonamides: An Experimental and Computational Study

KOBu as a Single Electron Donor? Revisiting the Halogenation of Alkanes with CBr₄ and CCl₄

KOtBu: A Privileged Reagent for Electron Transfer Reactions?

Latrunculin analogues with improved biological profiles by "diverted total synthesis": preparation, evaluation, and computational analysis

Lithium-Aluminate-Catalyzed Hydrophosphination Applications

Mechanism of Olefin Hydrosilylation Catalyzed by RuCl2(CO)2(PPh3)2: A DFT Study†

Mechanism of formation of hydrogen trioxide (HOOOH) in the ozonation of 1,2-diphenylhydrazine and 1,2-dimethylhydrazine: an experimental and theoretical investigation

Mechanism of olefin hydrosilylation catalyzed by [RuCl(NCCH3)5]+: A DFT study

Mechanistic insights of evaporation-induced actuation in supramolecular crystals

Metal-free reductive cleavage of C-N and S-N bonds by photoactivated electron transfer from a neutral organic donor

Molecular dynamics simulations reveal disruptive self-assembly in dynamic peptide libraries

New Insights into the Catalytic Mechanism of Aldose Reductase: A QM/MM Study

OMx-D: semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical application

Oligothiophene Cruciform with a Germanium Spiro Center: A Promising Material for Organic Photovoltaics

Organic super-electron-donors: initiators in transition metal-free haloarene–arene coupling

Organobase-Catalyzed Amidation of Esters with Amino Alcohols

Overturning established chemoselectivities: selective reduction of arenes over malonates and cyanoacetates by photoactivated organic electron donors

Polymeric peptide pigments with sequence-encoded properties

Practically convenient and industrially-aligned methods for iridium-catalysed hydrogen isotope exchange processes

Predicting the UV-vis spectra of oxazine dyes

Predicting the reducing power of organic super electron donors

Reductions of challenging organic substrates by a nickel complex of a noninnocent crown carbene ligand

Reductive cleavage of sulfones and sulfonamides by a neutral organic super-electron-donor (S.E.D.) reagent

Ruthenium based catalysts for olefin hydrosilylation: dichloro(p-cymene)ruthenium and related complexes.

Sequence/structure relationships in aromatic dipeptide hydrogels formed under thermodynamic control by enzyme-assisted self-assembly

Site-Selective Deuteration of N-Heterocycles via Iridium-Catalyzed Hydrogen Isotope Exchange

Solution processable diketopyrrolopyrrole (DPP) cored small molecules with BODIPY end groups as novel donors for organic solar cells

Stabilization of metastable hydrogen trioxide (HOOOH) and the hydrotrioxyl radical (HOOO) by complexation with sulfuric acid. A theoretical study

Structural tracking of the potassium-mediated magnesiation of anisole

Substrate Orientation in 4-Oxalocrotonate Tautomerase and Its Effect on QM/MM Energy Profiles

Superelectrophilic Amidine Dications: Dealkylation by Triflate Anion