Imperial College London

ProfessorAlanArmstrong

Faculty of Natural SciencesDepartment of Chemistry

Head of Department of Chemistry
 
 
 
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Contact

 

+44 (0)20 7594 5876a.armstrong

 
 
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Assistant

 

Ms Maria Tortelli +44 (0)20 7594 9286

 
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Location

 

G04AMolecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Publication Type
Year
to

119 results found

Craven GB, Affron DP, Allen CE, Matthies S, Greener JG, Morgan RML, Tate EW, Armstrong A, Mann DJet al., 2018, High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 57, Pages: 5257-5261, ISSN: 1433-7851

JOURNAL ARTICLE

Grant E, Pan Y, Richardson J, Martinelli JR, Armstrong A, Galindo A, Adjiman CSet al., 2018, Multi-Objective Computer-Aided Solvent Design for Selectivity and Rate in Reactions, Computer Aided Chemical Engineering, Pages: 2437-2442

© 2018 Elsevier B.V. A hybrid empirical computer-aided methodology to design the solvent for a reaction, incorporating both selectivity and rate, is presented. A small initial set of diverse solvents is used, for which experimental, in situ kinetic data are obtained. A surrogate model is utilized to correlate the reaction kinetics with solvent properties and a computer-aided molecular design (CAMD) multi-objective optimization problem is then formulated to identify solvents with improved performance compared with the initial solvent set. This methodology is applied to an SNAr reaction of 2,4-difluoroacetophenone with pyrrolidine, which demonstrates an interesting effect of solvent on both the selectivity of the ortho-:para-substitution ratio and the overall rate of the reaction. A set of Pareto optimal solutions is identified, highlighting the trade-off between reaction rate and selectivity.

BOOK CHAPTER

Armstrong A, Ces O, Compte RV, 2017, All aboard for chemistry, CHEMISTRY & INDUSTRY, Vol: 81, Pages: 14-15, ISSN: 0009-3068

JOURNAL ARTICLE

Sung S, Sale D, Braddock DC, Armstrong A, Brennan C, Davies RPet al., 2016, Mechanistic Studies on the Copper-Catalyzed N-Arylation of Alkylamines Promoted by Organic Soluble Ionic Bases, ACS CATALYSIS, Vol: 6, Pages: 3965-3974, ISSN: 2155-5435

JOURNAL ARTICLE

Alguel Y, Amillis S, Leung J, Lambrinidis G, Capaldi S, Scull NJ, Craven G, Iwata S, Armstrong A, Mikros E, Diallinas G, Cameron AD, Byrne Bet al., 2016, Structure of eukaryotic purine/H+ symporter UapA suggests a role for homodimerization in transport activity, NATURE COMMUNICATIONS, Vol: 7, ISSN: 2041-1723

JOURNAL ARTICLE

Bures J, Armstrong A, Blackmond DG, 2016, Explaining Anomalies in Enamine Catalysis: "Downstream Species" as a New Paradigm for Stereocontrol, ACCOUNTS OF CHEMICAL RESEARCH, Vol: 49, Pages: 214-222, ISSN: 0001-4842

JOURNAL ARTICLE

Armstrong A, Pullin RDC, Scutt JN, 2016, Tertiary Amine Promoted Aziridination: Preparation of NH-Aziridines from Aliphatic ,-Unsaturated Ketones, SYNLETT, Vol: 27, Pages: 151-155, ISSN: 0936-5214

JOURNAL ARTICLE

Sung S, Braddock DC, Armstrong A, Brennan C, Sale D, White AJP, Davies RPet al., 2015, Synthesis, Characterisation and Reactivity of Copper(I) Amide Complexes and Studies on Their Role in the Modified Ullmann Amination Reaction, CHEMISTRY-A EUROPEAN JOURNAL, Vol: 21, Pages: 7179-7192, ISSN: 0947-6539

JOURNAL ARTICLE

Allen CE, Curran PR, Brearley AS, Boissel V, Sviridenko L, Press NJ, Stonehouse JP, Armstrong Aet al., 2015, Efficient and Facile Synthesis of Acrylamide Libraries for Protein-Guided Tethering, ORGANIC LETTERS, Vol: 17, Pages: 458-460, ISSN: 1523-7060

JOURNAL ARTICLE

Bures J, Dingwall P, Armstrong A, Blackmond DGet al., 2014, Rationalization of an Unusual Solvent-Induced Inversion of Enantio-meric Excess in Organocatalytic Selenylation of Aldehydes, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 53, Pages: 8700-8704, ISSN: 1433-7851

JOURNAL ARTICLE

Armstrong A, Emmerson DPG, Milner HJ, Sheppard RJet al., 2014, [2,3]-Sigmatropic Rearrangement of Allylic Selenimides: Strategy for the Synthesis of Peptides, Peptidomimetics, and N-Aryl Vinyl Glycines, JOURNAL OF ORGANIC CHEMISTRY, Vol: 79, Pages: 3895-3907, ISSN: 0022-3263

JOURNAL ARTICLE

Armstrong A, Pullin RDC, Jenner CR, Foo K, White AJP, Scutt JNet al., 2014, Tertiary amine-promoted enone aziridination: investigations into factors influencing enantioselective induction, TETRAHEDRON-ASYMMETRY, Vol: 25, Pages: 74-86, ISSN: 0957-4166

JOURNAL ARTICLE

Armstrong A, Boto RA, Dingwall P, Contreras-Garcia J, Harvey MJ, Mason NJ, Rzepa HSet al., 2014, The Houk-List transition states for organocatalytic mechanisms revisited, CHEMICAL SCIENCE, Vol: 5, Pages: 2057-2071, ISSN: 2041-6520

JOURNAL ARTICLE

Armstrong A, Braddock DC, Jones AX, Clark Set al., 2013, Catalytic asymmetric bromolactonization reactions using (DHQD)(2)PHAL-benzoic acid combinations, TETRAHEDRON LETTERS, Vol: 54, Pages: 7004-7008, ISSN: 0040-4039

JOURNAL ARTICLE

Struebing H, Ganase Z, Karamertzanis PG, Siougkrou E, Haycock P, Piccione PM, Armstrong A, Galindo A, Adjiman CSet al., 2013, Computer-aided molecular design of solvents for accelerated reaction kinetics, NATURE CHEMISTRY, Vol: 5, Pages: 952-957, ISSN: 1755-4330

JOURNAL ARTICLE

Collins JC, Armstrong A, Chapman KL, Cordingley HC, Jaxa-Chamiec AA, Judd KE, Mann DJ, Scott KA, Tralau-Stewart CJ, Low CMRet al., 2013, Prospective use of molecular field points in ligand-based virtual screening: efficient identification of new reversible Cdc25 inhibitors, MEDCHEMCOMM, Vol: 4, Pages: 1148-1155, ISSN: 2040-2503

JOURNAL ARTICLE

Bures J, Armstrong A, Blackmond DG, 2013, The interplay of thermodynamics and kinetics in dictating organocatalytic reactivity and selectivity, PURE AND APPLIED CHEMISTRY, Vol: 85, Pages: 1919-1934, ISSN: 0033-4545

JOURNAL ARTICLE

Nonoo RH, Armstrong A, Mann DJ, 2012, Kinetic Template-Guided Tethering of Fragments, CHEMMEDCHEM, Vol: 7, Pages: 2082-2086, ISSN: 1860-7179

JOURNAL ARTICLE

Armstrong A, Ferguson A, 2012, Synthesis and ring openings of cinnamate-derived N-unfunctionalised aziridines, BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY, Vol: 8, Pages: 1747-1752, ISSN: 1860-5397

JOURNAL ARTICLE

Bures J, Armstrong A, Blackmond DG, 2012, Curtin-Hammett Paradigm for Stereocontrol in Organocatalysis by Diarylprolinol Ether Catalysts, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 134, Pages: 6741-6750, ISSN: 0002-7863

JOURNAL ARTICLE

Bures J, Armstrong A, Blackmond DG, 2012, Kinetic correlation between aldehyde/enamine stereoisomers in reactions between aldehydes with alpha-stereocenters and chiral pyrrolidine-based catalysts, CHEMICAL SCIENCE, Vol: 3, Pages: 1273-1277, ISSN: 2041-6520

JOURNAL ARTICLE

Hein JE, Bures J, Lam Y-H, Hughes M, Houk KN, Armstrong A, Blackmond DGet al., 2011, Enamine Carboxylates as Stereodetermining Intermediates in Prolinate Catalysis, ORGANIC LETTERS, Vol: 13, Pages: 5644-5647, ISSN: 1523-7060

JOURNAL ARTICLE

Armstrong A, Deacon N, Donald C, 2011, Enantioselective Synthesis of alpha-Aminophosphonates via Organocatalytic Sulfenylation and [2,3]-Sigmatropic Sulfimide Rearrangement, SYNLETT, Pages: 2347-2350, ISSN: 0936-5214

JOURNAL ARTICLE

Hein JE, Armstrong A, Blackmond DG, 2011, Kinetic profiling of prolinate-catalyzed α-amination of aldehydes., Org Lett, Vol: 13, Pages: 4300-4303

Deconvolution of the role of off-cycle species from the desired catalytic cycle leads to an optimized protocol for the prolinate-catalyzed amination of aldehydes. The scope of complex reaction networks will be greatly broadened by understanding ancillary rate processes that influence the productive catalytic pathway.

JOURNAL ARTICLE

Hein JE, Armstrong A, Blackmond DG, 2011, Kinetic Profiling of Prolinate-Catalyzed alpha-Amination of Aldehydes, ORGANIC LETTERS, Vol: 13, Pages: 4300-4303, ISSN: 1523-7060

JOURNAL ARTICLE

Bures J, Armstrong A, Blackmond DG, 2011, Mechanistic Rationalization of Organocatalyzed Conjugate Addition of Linear Aldehydes to Nitro-olefins, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 133, Pages: 8822-8825, ISSN: 0002-7863

JOURNAL ARTICLE

Armstrong A, Emmerson DPG, 2011, Enantioselective Synthesis of alpha-Alkyl, alpha-Vinyl Amino Acids via [2,3]-Sigmatropic Rearrangement of Selenimides, ORGANIC LETTERS, Vol: 13, Pages: 1040-1043, ISSN: 1523-7060

JOURNAL ARTICLE

Struebing H, Ganase Z, Karamertzanis PG, Armstrong A, Galindo A, Adjiman CSet al., 2011, Solvent design for optimal kinetics: From quantum mechanical predictions to experimental validation, Pages: 39-40

CONFERENCE PAPER

Armstrong A, Bettati M, White AJP, 2010, Catalytic enantioselective alkene epoxidation using novel spirocyclic N-carbethoxy-azabicyclo[3.2.1]octanones, TETRAHEDRON, Vol: 66, Pages: 6309-6320, ISSN: 0040-4020

JOURNAL ARTICLE

Blackmond DG, Moran A, Hughes M, Armstrong Aet al., 2010, Unusual Reversal of Enantioselectivity in the Proline-Mediated alpha-Amination of Aldehydes Induced by Tertiary Amine Additives, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 132, Pages: 7598-+, ISSN: 0002-7863

JOURNAL ARTICLE

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