Chemistry

Department staff

Dr Mark Edgar

Photo of Dr Mark Edgar

Senior Experimental Officer in NMR Spectroscopy

  • Senior Scientific Officer in NMR spectroscopy, 2002 - onwards
  • Post-Doc University of St Andrews, 2000 - 2002(Prof. P. A. Wright).
  • Guest Researcher University of Southampton, 1998 (Prof. G. S. Attard).
  • Guest Researcher and Humboldt Research Fellow Free-University, Berlin, 1996 – 1998.
  • Post-Doc University of Southampton 1994 - 1996, (Prof. J. W. Emsley).
  • PhD University of Liverpool 1991 - 1994, (Prof. R. J. Abraham).
  • BSc University of Liverpool 1988 - 1991 (Organic Chemistry Prize 1990)

Member of the Royal Society of Chemistry (MRSC)

Fellow of the Higher Education Academy

Alumni of the Alexander von Humboldt Foundation

Nuclear Magnetic Resonance (NMR) Spectroscopy investigations of materials, ranging from small molecules in the liquid-state to solid-state. Spectral analysis of complex NMR spectra, structure determination, computational NMR calculations and ab-initio structural modelling.

Consultancy and sample analysis for industry.

Selected publications:

"Evaluations of the Peroxidative Susceptibilities of Cod Liver Oils by a 1H NMR Analysis Strategy: Peroxidative Resistivity of a Natural Collagenous and Biogenic Amine-Rich Fermented Product"
Benita Clare Percival, Angela Wann, Richard Zbasnik, Vicki Schlegel, Mark Edgar, Jie Zhang, Gilbert Ampem, Philippe Wilson, Adam Le-Gresley, Declan Naughton, Martin Grootveld *

Nutrients, March 2020. (impact = 4.8)

 

"Determinations of the peroxidative susceptibilities of cod liver oils by a newly-developed 1H NMR-based method: resistance of an antioxidant-fortified product isolated from pre-fermented sources"
Benita Claire Percival, R. Zbasnik, V. Schlegel, Mark Edgar, J. Zhang, M. Grootveld.

February 2020, BMC Research Notes 13(1). DOI: 10.1186/s13104-020-4932-6 (License CC BY )

 

"NMR spectral analysis of strongly second‐order 6‐, 8‐, 9‐ and 10‐ spin‐systems (1H─19F, 19F─19F, and 13C─19F) in perfluorotoluyl‐ and tetrafluoro‐pyridyl‐aromatics using the lineshape method ANATOLIA"
Mark Edgar  Dee Hayward  Fatemeh Zeinali  Shahzad Riaz  George W. Weaver
Magn. Reson. Chem., 2019, p1–16.  https://doi.org/10.1002/mrc.4947  

"NMR spectral analysis of second-order 19F-19F, 19F-1H and 13C-19F coupling constants in pentafluorobenzene and tetrafluoro-4-(morpholino) pyridine using ANATOLIA"
M Edgar, F Zeinali, M Mojally, C Hughes, S Riaz, GW Weaver,
Journal of Fluorine Chemistry, 224, 35-44, 2019.


"Effect of alkyl chain length and linker atom on the crystal packing in 6, 12-dialkoxy-and 6, 12-dialkylsulfanyl-benzo [1, 2-b: 4, 5-b’] bis [b] benzothiophenes."
S Riaz, M Edgar, MRJ Elsegood, L Horsburgh, SJ Teat, TG Warwick, George W. Weaver,
Crystal Growth & Design, 19, 9, 5237-5248, 2019.


"Low-Field, Benchtop NMR Spectroscopy as a Potential Tool for Point-of-Care Diagnostics of Metabolic Conditions: Validation, Protocols and Computational Models"
Percival BC, Grootveld M, Gibson M, Osman Y, Molinari M, Jafari F, Sahota T, Martin M, Casanova F, Mather ML, Edgar M, Masania J, Wilson PB.
High-throughput, 8 (1), 2, 6, 2019.


"Progress in low-field benchtop NMR spectroscopy in chemical and biochemical analysis"
Grootveld M, Percival B, Gibson M, Osman Y, Edgar M, Molinari M, Mather ML, Casanova F, Wilson PB
Analytica chimica acta, 2019, 1067, 11-30. doi: 10.1016/j.aca.2019.02.026


"Benchtop NMR Spectroscopy and Spectral Analysis of the cis- and trans-Stilbene Products of the Wittig Reaction"
Mark Edgar, Benita C. Percival, Miles Gibson, Jinit Masania, Ken Beresford, Philippe B. Wilson, Martin Grootveld,
Journal of Chemical Education, 2019, 96, 9, 1938-1947.


"Molecular composition of and potential health benefits offered by natural East African virgin sunflower oil products: A 400 MHz 1H NMR analysis study"
Benita C Percival, Etienne Savel, Gilbert Ampem, Miles Gibson, Mark Edgar, Fereshteh Jafari, Katy Woodason, Kianna Frederick, Philippe B Wilson, Martin Grootveld,
© the Authors. Published by Open Access Pubs, 2019.

Teaching responsibilities:

  • CMB106: Structure and Reactivity, 12 lectures (plus exam question and marking).
  • CMC001: Modern Aspects of Organic Chemistry, 4 hours workshop (plus assessed question and marking)
  • CMP062: Spectroscopy and Structural Analysis, 8 lectures, 2 hours workshop (plus in-class test and marking, plus exam and marking)
  • JEOL-600 MHz NMR spectrometer inauguration, Leicester School of Pharmacy, DMU, 2019.
  • Guest speaker, JEOL NMR Users’ Meeting 2017
  • “Physical Methods and Techniques NMR Spectroscopy”, RSC Annual Reports, Progress in Chemistry, 2006 - 2012.

Papers

h-index = 17, i10-index = 25, most cited first-name author = 220 citations (impact 5.2).

2020

[58]
"Evaluations of the Peroxidative Susceptibilities of Cod Liver Oils by a 1H NMR Analysis Strategy: Peroxidative Resistivity of a Natural Collagenous and Biogenic Amine-Rich Fermented Product"
Benita Clare Percival, Angela Wann, Richard Zbasnik, Vicki Schlegel, Mark Edgar, Jie Zhang, Gilbert Ampem, Philippe Wilson, Adam Le-Gresley, Declan Naughton, Martin Grootveld *

Nutrients, March 2020. (impact = 4.8)

[57]

"Determinations of the peroxidative susceptibilities of cod liver oils by a newly-developed 1H NMR-based method: resistance of an antioxidant-fortified product isolated from pre-fermented sources"
Benita Claire Percival, R. Zbasnik, V. Schlegel, Mark Edgar, J. Zhang, M. Grootveld.

BMC Research Notes, February 2020, 13(1). DOI: 10.1186/s13104-020-4932-6 (License CC BY)

 

2019

[56]
"NMR spectral analysis of strongly second‐order 6‐, 8‐, 9‐ and 10‐ spin‐systems (1H─19F, 19F─19F, and 13C─19F) in perfluorotoluyl‐ and tetrafluoro‐pyridyl‐aromatics using the lineshape method ANATOLIA"
Mark Edgar  Dee Hayward  Fatemeh Zeinali  Shahzad Riaz  George W. Weaver
Magn. Reson. Chem., 2019, p1–16.  https://doi.org/10.1002/mrc.4947   (Impact 1.73)

[55]
"NMR spectral analysis of second-order 19F-19F, 19F-1H and 13C-19F coupling constants in pentafluorobenzene and tetrafluoro-4-(morpholino) pyridine using ANATOLIA"
M Edgar, F Zeinali, M Mojally, C Hughes, S Riaz, GW Weaver,
Journal of Fluorine Chemistry, 224, 35-44, 2019. (Impact 2.1)

[54]
"Effect of alkyl chain length and linker atom on the crystal packing in 6, 12-dialkoxy-and 6, 12-dialkylsulfanyl-benzo [1, 2-b: 4, 5-b’] bis [b] benzothiophenes."
S Riaz, M Edgar, MRJ Elsegood, L Horsburgh, SJ Teat, TG Warwick, George W. Weaver,
Crystal Growth & Design, 19, 9, 5237-5248, 2019. (impact 4.2)

[53]
"Low-Field, Benchtop NMR Spectroscopy as a Potential Tool for Point-of-Care Diagnostics of Metabolic Conditions: Validation, Protocols and Computational Models"
Percival BC, Grootveld M, Gibson M, Osman Y, Molinari M, Jafari F, Sahota T, Martin M, Casanova F, Mather ML, Edgar M, Masania J, Wilson PB.
High-throughput, 8 (1), 2, 6, 2019.

[52]
"Progress in low-field benchtop NMR spectroscopy in chemical and biochemical analysis"
Grootveld M, Percival B, Gibson M, Osman Y, Edgar M, Molinari M, Mather ML, Casanova F, Wilson PB
Analytica chimica acta, 2019, 1067, 11-30. (impact 5.3)

[51]
"Benchtop NMR Spectroscopy and Spectral Analysis of the cis- and trans-Stilbene Products of the Wittig Reaction"
M. Edgar, B. C. Percival, M. Gibson, J. Masania, K. Beresford, P. B. Wilson, M. Grootveld,
Journal of Chemical Education, 2019, 96, 9, 1938-1947. (impact 1.8)

[50]
"Molecular composition of and potential health benefits offered by natural East African virgin sunflower oil products: A 400 MHz 1H NMR analysis study"
B. C Percival, E. Savel, G. Ampem, M. Gibson, M. Edgar, F. Jafari, K. Woodason, K. Frederick, P. B Wilson, M. Grootveld,
International Journal of Nutrition, 2019, 3, 3, 22-43.

 

2018......
[49]
"One-and two-dimensional NMR investigations of the urinary excretion and metabolism of miglustat and valproate in patients with Niemann-Pick disease type C1"
Martin Grootveld, Fay Probert, Victor Ruiz-Rodado, Xiaoyu Zhang, Danielle te Vruchte, Frances Platt, Tim D Clardige, Anna Zonato Tocchio, Mark Edgar, Robin H Lachmann
Molecular Genetics and Metabolism 2 (117), S52, 2016.

[48]
"Novel Fluorinated Benzimidazole Based Scaffolds and their Anticancer Activity in vitro"
Avninder S. Bhambra, Mark Edgar, Mark R. J. Elsegood, Lynne Horsburgh, Vladimír Kryštof, Paul D. Lucas, Mariam Mojally, Simon J. Teat, Thomas G. Warwick, George W. Weaver, Fatemeh Zeinali.
Journal of Fluorine Chemistry 188, p99-109, 2016.

[47]
"Design, Synthesis and Antitrypanosomal Activities of 2,6-Disubstituted-4,5,7-Trifluorobenzothiophenes."
Bhambra, AS , Edgar, M , Elsegood, MRJ , Li, YQ , Weaver, GW , Arroo, RRJ , Yardley, V , Burrell-Saward, H , Krystof, V .
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, Volume: 108  Pages: 347-353, 2016.

[46]
"Urinary Excretion and Metabolism of Miglustat and Valproate in Patients with Niemann-Pick Type C1 Disease: One- and Two-Dimensional Solution-State 1H NMR Studies" fJournal of Pharmaceutical and Biomedical Analysis.
Probert, F , Ruiz-Rodado, V , Zhang, XY , Vruchte, DT , Claridge, TDW , Edgar, M , Tocchio, AZ , Lachmann, RH , Platt, FM , Grootveld, M ,
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, Volume: 117  276-288, 2016.

[45]
"Effect of Anthropogenic Organic Complexants on the Solubility of Ni, Th, U(IV) AND U(VI)", Journal of Hazardous Materials.
Felipe-Sotelo, M , Edgar, M , Beattie, T , Warwick, P , Evans, NDM , Read, D ,
JOURNAL OF HAZARDOUS MATERIALS, Volume: 300  Pages: 553-560, 2015.

[44]
"Analysis of triacetone triperoxide complexes with alkali metal ions by electrospray and extractive electrospray ionisation combined with ion mobility spectrometry and mass spectrometry"
A.R. Hill, Mark Edgar, Maria Chatzigeorgiou, James C. Reynolds, Paul F. Kelly and Colin S. Creaser,
Eur. J. Mass Spectrom. 21, 265–274, 2015.

[43]
"Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives"
Fuchs, Christian; Edgar,  Mark ; Elsegood,  Mark R. J. ; Weaver, George W.
RSC ADVANCES  Volume: 3   Issue: 44   Pages: 21911-21918, 2013.

[42]
"Physical methods and techniques - NMR spectroscopy"
M. Edgar
Annual Reports Section" B"(Organic Chemistry) 109, 2013.

[41]
"Physical methods and techniques - NMR spectroscopy"
M. Edgar
Annual Reports Section" B"(Organic Chemistry) 108, 2012.

[40]
"Static 65Cu NMR Spectra of Copper(I)-Ladder”Catalysts"
Mark Edgar, Dinu Iuga, Sandie Dann
UK 850MHz Solid-State NMR Facility, 2012.

[39]
"Intramolecular Carbonyl Nitroso Ene Reaction Catalyzed by Iron(III) Chloride/Hydrogen Peroxide as an Efficient Tool for Direct Allylic Amination"
Atkinson, Duncan; Kabeshov, Mikhail A.; Edgar, Mark; et al.
ADVANCED SYNTHESIS & CATALYSIS  Volume: 353   Issue: 18   3347-3351, 2011.

[38]
"A Novel Bifunctional Allyldisilane as a Triple Allylation Reagent in the Stereoselective Synthesis of Trisubstituted Tetrahydrofurans"
Malkov, Andrei V.; Kysilka, Ondrej; Edgar, Mark; et al.
CHEMISTRY-A EUROPEAN JOURNAL  Volume: 17   Issue: 26   Pages: 7162-7166, 2011 .

[37]
"Physical methods and techniques - NMR spectroscopy"
M. Edgar
Annual Reports Section" B"(Organic Chemistry) 107, 2011

[36]
"Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides"
Ponce Gonzalez, Julia; Edgar, Mark; Elsegood, Mark R J; et al.
Organic & biomolecular chemistry  Volume: 9   Issue: 7   2294-305   2011.

[35]
"Enolate amination and derivatization of a pyrroloisoquinoline template towards novel peptidomimetics"
Allin SM, Towler J, Gaskell SN, Saha B, Martin WP, Page PCB, Edgar M.
TETRAHEDRON    Vol 66    Is 49    p: 9538-9544 2010   

[34]
“The effect of particle size on the dehydration/rehydration behaviour of lactose"
Crisp, JL; Dann, SE; Edgar, M,  Blatchford CG
INTERNATIONAL JOURNAL OF PHARMACEUTICS   Vol: 391   Is: 1-2   p38-47   2010

[33]
“The in-situ solid-state NMR spectroscopy investigation of alcoholic lactose suspensions "
Crisp, JL; Dann, SE; Edgar, M,  Blatchford CG
SOLID STATE NUCLEAR MAGNETIC RESONANCE, Vol: 37   Is: 3-4   p75-81  2010

[32]
Physical methods and techniques NMR spectroscopy
M. Edgar
Annual Reports Section" B"(Organic Chemistry) 106, 325-343, 5, 2010.

[31]
"A novel trisprotonated beta-dialdiminate cryptand
Chin, A; Edgar, M; Harding, CJ,  McKee V,  Nelson J 
DALTON TRANSACTIONS   Is: 32   p 6315-6326   2009.

[30]
"Physical methods and techniques - NMR spectroscopy"
M. Edgar
Annual Reports Section" B"(Organic Chemistry) 105, 2009.

[29]
"Physical methods and techniques - NMR spectroscopy"
M. Edgar
Annual Reports Section" B"(Organic Chemistry) 104, 2008.

[28]
"Physical methods and techniques - NMR spectroscopy"
M. Edgar
Annual Reports Section" B"(Organic Chemistry) 103, 2007.

[27]
"An ytterbium-catalysed intramolecular aldehyde-ene reaction approach to the guaianolide and pseudoguaianolide diterpenoids: Synthesis of the guaiane skeleton"
PCB Page, G Gambera, CM Hayman, M Edgar
Synlett 2006 (20), 3411-3414, 5,2006.

[26]
“Complementary routes for the stereoselective synthesis of functionalized benzoquinolizidine targets”
Allin, Steven M., Duffy, Liam J., Bulman Page, Philip C., McKee, Vickie, Edgar, Mark, McKenzie, Michael J., Amat, Mercedes, Bassas, Oriol, Santos, Maria M. M., Bosch, Joan
TETRAHEDRON LETTERS 47 (32): 5713-5716, 2006.

[25]
“Complementary stereoselective conjugate addition reactions on indolo[2,3-alpha]-quinolizine  templates”
Allin SM, Khera JS, Thomas CI, Witherington J, Doyle K, Elsegood MRJ, Edgar M
TETRAHEDRON LETTERS 47 (12): 1961-1964, 2006.

[24]
“A new paradigm in N-heterocyclic carbenoid ligands”
Page PCB, Buckley BR, Christie SDR, Edgar M, Poulton AM, Elsegood MRJ, McKee V
JOURNAL OF ORGANOMETALLIC CHEMISTRY 690 (24-25): 6210-6216  2005.

[23]
“The highly diastereoselective synthesis of oxazolidines derived from ketones and peudoephedrine or ephedrine”
Buckley BR, Page PCB, Edgar M, Elsegood MRJ, Hayman CM, Heaney H, Rassias GA, Talib SA, Liddle J, Readshaw SA, Seaman CJ
SYNLETT (6): 971-975 APR 6 2005.

[22]
“Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets”
Allin SM, Essat M, Pita CH, Baird RD, McKee V, Elsegood M, Edgar M, Andrews DM, Shah P, Aspinall I
ORGANIC & BIOMOLECULAR CHEMISTRY 3 (5): 809-815, 2005.

[21]
“Stereoselective synthesis of the indolizinoindole ring system”
Allin SM, Thomas CI, Allard JE, Duncton M, Elsegood MRJ, Edgar M
Tet. Lett., 44 (11): 2335-2337, 2003.
 
[20]
"Structural Studies and Computer Simulation of the Inclusion of Aromatic Hydrocarbons in a Zinc 2,6-Naphthalene Dicarboxylate Framework Compound"
Devi, R. N.; Edgar, M.; Gonzalez, J.; Slawin, A. M. Z.; Tunstall, D. P.; Grewal, P.; Cox, P. A.;  Wright, P. A.;
J. Phys. Chem. B., 2004, 108(2); 535-543

[19]
"An NMR Study of the Complexation of Various Metals with Gluconic and Isosaccharinic Acids"
NDM Evans, C Heath, M Edgar, 2004

[18]
"Preparation and Characterisation of a Novel Aluminium Methylphosphonate: Using a New Simulated Annealing Program and Powder X-ray Diffraction Data"
Mark Edgar, Vinton Carter, David P Tunstall, Parmajit Grewal, Lesley-J. Sawers, Vincent Favre-Nicolin, Paul Cox, Philip Lightfoot and Paul A. Wright.
Chem. Commun., 2002, 808-809.

[17]
"Synthesis of an isomer of the oxaspirobicyclic tetronic acid unit of the CCK-B receptor antagonist tetronothiodin"
PCB Page, H Vahedi, KJ Batchelor, SJ Hindley, M Edgar, P Beswick
Synlett 2003 (07), 1022-1024, 22, 2003.

[16]
"The Structure Elucidation of a Novel Aluminium Methylphosphonate, Al3(CH3PO3)2·O·(OH)3, through a Combination of X-ray Powder Diffraction, Solid-State NMR Spectroscopy, and Computational Energy Minimization"
Mark Edgar, Vinton J. Carter, Parmajit Grewal, Lesley-J. Sawers, David P. Tunstall, Paul A. Cox, Philip Lightfoot and Paul A. Wright.
Chem. Mater., 2002, 14(8); 3432-3439.

[15]
"Solid-State Transformations of Zinc Benzene-1, 4-Dicarboxylates Mediated by Hydrogen Bond-Forming Molecules"
M. Edgar, R. Mitchell, D.P. Tunstall, A.M.Z. Slawin, P. Lightfoot and P.A. Wright
Chemistry-A European Journal, 2001, 7, No. 23, 5168-5175.

[14]
"Modelling the Structure and Properties of Aluminophosphonates"
P Grewal, PA Wright, M Edgar, JD Gale, PA Cox
MRS Online Proceedings Library Archive 726, 2002.

[13]
"The True Liquid Crystal Approach to Mesoporous Silica"
G.S. Attard, M. Edgar, and C.G. Göltner
Acta Materialia, 1998, 46, 751.

[12]
"Symmetry and phase-selected NMR spectra of liquid crystalline samples
Carravetta M, Castiglione F, De Luca G, Edgar M, Emsley JW, Farrant RD, Foord EK, Lindon JC, Longeri M, Palke WE, Turner DL
J. Magn. Reson., 135 (2): 298-309, 1998 .

[11]
"The Structure of 2,2'-difluorobiphenyl in Solid and Liquid Crystalline Phases"
B. Aldridge, G. De Luca, M. Edgar, S.J. Edgar, J.W. Emsley, M.I.C. Furby and M. Webster.
Liquid Crystals, 1998

[10]
General Features of the X Part of an ABX Spin System in Isotropic and Liquid Crystalline Phases as Illustrated by the13C–{1H} Spectra of 2, 2′-Difluorobiphenyl
M Edgar, JW Emsley, MIC Furby
J. Magn. Reson., 128 (2), 105-113, 16, 1997

[9]
"Analysis of the NMR Spectra of 2,2'-difluorobiphenyl in a Liquid Crystal Solvent"
M. Edgar, J.W. Emsley and M.I.C. Furby
J. Magn. Reson., 1997. 128, 105.

[8]
"NMR investigations of Nanostructured Ceramics"
M. Edgar, M. Schubert, H.H. Limbach and C.G. Göltner
Berichte der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics, 1997, 101, 1769.

[7]
"The Conformational Analysis of 2-Substituted Fluoro- and Trifluoromethyl-benzaldehydes,
Acetophenones and Methyl Benzoates by the Lanthanide Induced Shift (LIS) Technique"
R.J. Abraham, S. Angiolini, M. Edgar, F. Sancassan.
Journal of the Chemical Society-Perkin Transactions 2, 1997, No.1, p.41-48.

[6]
"Deuterium NMR Spectroscopy of Solvents Adsorbed on the Surface of Mesoporous Silica"
G.S. Attard, M. Edgar, C.G. Göltner and J.W. Emsley
Liquid Crystals for Advanced Technologies, MRS Proc., 425 1996.

[5]
"The True Liquid Crystal Approach to Mesoporous Silica"
G.S. Attard, M. Edgar, C.G. Göltner and J.W. Emsley
Liquid Crystals for Advanced Technologies, MRS Proc., 425 1996.

[4]
"A Model for the Calculation of Proton Chemical-Shifts in Substituted Alkanes"
R.J. Abraham, M Edgar, R.P. Glover, M.A. Warne, L. Griffiths.
Perkin Transactions 2, 1996, No.3, p.333-341.

[3]
"Evaluation of Molecular Geometries by the Lanthanide-Induced Shift Technique"
R.J. Abraham, S. Angiolini, M. Edgar, F. Sancassan.
Perkin Transactions 2, 1995, No.11, p.1973-1979.

[2]
"Mono-Fluoro and Di- Fluoro S.C.S. in Rigid Molecules"
R.J. Abraham, M. Edgar, L. Griffiths, R.L. Powell.
Perkin Transactions 2, 1995, No.3, p.561-567.

[1]
"Calculation of Proton Chemical-Shifts in Hydrocarbons"
R.J. Abraham, M. Edgar, L. Griffiths, R.L. Powell.
Chem. Commun., 1993, No.20, p.1544-1545.