Chemical Sciences

Biographical Details:

Dr. John F. Gallagher - Lecturer in Chemistry, DCU: permanent member of the Academic staff since 1995. Ph.D. awarded by University College, Galway (NUIG) in 1990 on the topic 'Synthesis and Structure of derivatives of the [Re2Cl8]2- anion'. Postdoctoral research in small molecule crystallography and synthetic chemistry at the University of Guelph, Canada (1990-1993) followed by postdoctoral research in organometallic chemistry at Cambridge University, U.K. (1993-1995). Currently 180+ peer-reviewed chemistry and structural science papers have been published since 1989 (cited > 2500 times - ISI source). Co-Editor of Acta Crystallographica Section C, 2000-2012 and Co-Editor of Acta Crystallographica Section E in 2006-07 [@ GG2109], http://www.iucr.org/ Overall 800+ international peer-reviewed publications reviewed (since 2000) for IUCr, RSC and ACS journals, primarily as a Co-Editor and independent reviewer. DORAS - The DCU Institutional Repository for recent IUCr papers is at http://doras.dcu.ie/view/people/Gallagher,_John_F=2E.html

Research Interests:

Supramolecular, Macrocyclic and Acycle/Foldamer chemistry. Synthesis and Structure in Chemistry (chemical crystallography amd molecular modelling): Structural systematics of organic pharmaceuticals (informatics/databases): Crystal engineering in solid state design: Synthesis and structure of novel therapeutics (K+ channel blockers).

Selected Peer Reviewed Journals

• Dr. John F Gallagher. .
• Dr. John F Gallagher. 2013. All Acta Crystallographica B/C/E publications are available on the http://doras.dcu.ie (together with some recent conference posters).
• P. Mocilac and J.F Gallagher. 2013. Entry point into new trimeric and tetrameric imide-based macrocyclic esters derived from isophthaloyl dichloride and methyl 6-aminonicotinate. Acta Crystallographica Section C, B69, February, pp62-69.
• Pavle Mocilac and John F Gallagher. 2013. Trezimides and Tennimides: new imide-based macrocycles. Journal Of Organic Chemistry,
• J.F. Gallagher, K. Donnelly and P. Mocilac. 2012. Structural systematics and conformational analyses of a 3 x 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships. Acta Crystallographica Section C, B68,, pp189-203.
• P. Mocilac and J.F Gallagher. 2011. Structural systematics and conformational analyses of a 3
  x 3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives. Crystengcomm, 13,, pp5354-5366.
• P. Mocilac, A.J. Lough, J.F. Gallagher. 2011. Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridine-carboxamides. Crystengcomm, 13,, pp1899-1909.
• P. Mocilac, M. Tallon, A.J. Lough, J.F Gallagher. 2010. Synthesis, structural and conformational analysis of a 3 x 3 isomer grid based on nine Methyl-N-(pyridyl)benzamides. Crystengcomm, 12,, pp3080-3090.
• J.F. Gallagher, S. Alley, A.J. Lough. 2010. 2-Ferrocenyl-N-(6-methyl-2-pyridyl)benzamide. Acta Crystallographica Section E, E66, 4, ppm396-m396.
• J.F. Gallagher, S. Alley, M. Brosnan, A.J. Lough. 2010. 1,1`-Fc(para-C6H4CO2Et)2 and its unusual salt derivative with Z'=5, catena-[Na+]2[1,1`-Fc(para-C6H4CO2−)2]:(3/5)H2O, {1,1`-Fc = ç5(C5H4)2Fe}. Acta Crystallographica Section C, B66, 2, pp196-205.
• J. McMahon, J.F. Gallagher, F.P. Anderson, A.J. Lough. 2009. A structural systematic study of four isomers of difluoro-N-(3-pyridyl)benzamide. Acta Crystallographica Section C, C65, 7, ppo345-o351.
• J.F. Gallagher, S. Alley, A.J. Lough. 2009. 2-Ferrocenyl-N-(2-ferrocenylbenzoyl)-N-(4-methyl-2-pyridyl)benzamide. Acta Crystallographica Section E, E65, 4, ppm332-m333.
• J.F. Gallagher, K. Donnelly, A.J. Lough. 2009. 2-Fluoro-N-(2-fluorobenzoyl)-N-(2-pyridyl)benzamide. Acta Crystallographica Section E, E65, 1, ppo486-o487.
• A. Palma, J.F. Gallagher, H Muller-Bunz, J. Wolowska, E.J.L. McInnes, D.F. O'Shea. 2009. Co(II), Ni(II), Cu(II) and Zn(II) complexes of tetraarylazadipyrromethene. Journal Of The Chemical Society-dalton Transactions, 2, pp273-279.
• J.F. Gallagher, K. Donnelly, A.J. Lough. 2009. 3-Fluoro-N-(3-fluorobenzoyl)-N-(2-pyridyl)benzamide. Acta Crystallographica Section E, E65, 1, ppo102-o103.
• J.F Gallagher, J. McMahon, F.P. Anderson and A.J. Lough. 2008. 2,3-difluoro-N-(2-pyridyl)benzamide. Acta Crystallographica Section E, E64, 12, ppo2394-o2394.
• J. McMahon, F.P. Anderson, J.F Gallagher, A.J. Lough. 2008. A structural systematic study of three isomers of Difluoro-N'-(4-pyridyl)benzamide. Acta Crystallographica Section C, C64, 8, ppo493-0497.
• K. Donnelly, J.F. Gallagher, A.J. Lough. 2008. Assembling an isomer grid: the isomorphous 4-,3- and 2-fluoro-N'-(4-pyridinyl)benzamides. Acta Crystallographica Section C, C64, 6, ppo335-o340.
• J. Killoran, S.O. McDonnell, J.F. Gallagher, D.F. O'Shea. 2008. A substituted BF2-chelated tetraarylazadipyrromethene as an intrinsic dual chemosensor in the 650-850 nm Spectral Range. New Journal Of Chemistry, 32, 9, pp483-489.
• J.F. Gallagher, P. Butler, A.R. Manning. 2008. (Cyclopentadienyl)({[3-2,2-dicyanoethenyl)bicyclo[2.2.1]hepta-2,5-dien-2-yl]ethynyl}(triphenylphosphine)nickel(II). Acta Crystallographica Section E, E64, 2, ppM411-sup1-14.
• J.F. Gallagher, K. Hanlon, J. Howarth. 2007. 1-Ferrocenylmethyl-2-phenyl-1H-1,3-benzimidazole. Acta Crystallographica Section E, E63, 12, ppM2882-sup1-12.
• S. Goswami, S. Dey, J.F. Gallagher, A.J. Lough, S. Garcia-Granda, L. Torre-Fernandez, I. Alkorta and J. Elguero. 2007. Tailor-made Naphthyridines: Self-Assembling multiple hydrogen-bonded supramolecular architecture from dimer to Helix. Journal Of Materials Research, 846, 12, pp97-107.
• J.F. Gallagher, K. Hanlon, J. Howarth. 2007. 2-(3,5-Dimethylbenzene)-1-ferrocenylmethyl-1H-1,3-benzimidazole. Acta Crystallographica Section E, E63, 11, ppM2746-sup1-12.
• J.F. Gallagher, K. Hanlon, J. Howarth. 2007. N-Ferrocenylmethyl-2-(3-methylstyryl)-N'-methylbenzimidazolium hexafluorophosphate. Acta Crystallographica Section E, E63, 11, ppM2649-sup1-16.
• J.F. Gallagher and F. Brady. 2007. (2RS)-3-(4-Hydroxyphenyl)-2-(1-oxo-1H-2,3)-dihydro- isoindol-2-yl)propanoic acid:monohydrate. Acta Crystallographica Section E, E63, 5, ppo2207-o2210.
• P. Butler, J.F Gallagher, A.J. Lough & A.R. Manning. 2007. (Cyclopentadienyl)(2-naphthylethynyl)(triphenylphosphine)nickel(II). Acta Crystallographica Section E, E63, 5, ppm1415-.
• J.F. Gallagher, M.D.H. Le Bas, C.M. Coleman and D.F. O'Shea. 2007. 6-(4-fluorophenyl)-8-phenyl-2,3-dihydro-4H-imidazo[5,1-b][1,3]-thiazin-4-one: an unusual [6-5] fused-ring system. Acta Crystallographica Section C, 63, 3, ppo160-o162.
• F. Brady and J.F. Gallagher. 2006. (2S)-4-methyl-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid. Acta Crystallographica Section E, 62, 8, ppo3348-o3350.
• G. Ferguson, J.F. Gallagher, J.D. Kennedy, A.M. Kelleher and T.R. Spalding. 2006. Pentahapto-bonded gold heteroborane clusters [3-(R3P)-closo-2,1-AuTeB10H10]- and [3-(R3P)-closo-3,1,2-AuAs2B9H9]-. Journal Of The Chemical Society-dalton Transactions, 17, , pp2133-2139.
• D. Mulhern, Y. Lan, S. Brooker, J.F. Gallagher, H. Gorls, S. Rau and J.G. Vos. 2006. Synthesis and characterisation of a series of mononuclear ruthenium(II) carbonyl complexes of heterocycle-based asymmetric bidentate ligands. Inorganica Chimica Acta, 359, 3, pp736-744.
• D. Savage, S.R. Alley, J.F. Gallagher, A. Goel, P.N. Kelly and P.T.M. Kenny. 2006. The synthesis and structural characterization of novel N-meta-ferrocenyl benzoyl dipeptide esters. Inorganic Chemistry Communications, 9, 2, pp152-155.
• D. Savage, G. Malone, S.R. Alley, J.F. Gallagher, A. Goel, P.N. Kelly, H. Mueller-Bunz and P.T.M. Kenny. 2006. The synthesis and structural characterization of N-ortho-ferrocenyl benzoyl amino acid esters. The X-ray crystal structure of N-{ortho-(ferrocenyl)benzoyl}-L-phenylalanine ethyl ester. Journal Of Organometallic Chemistry, 691, 3, pp463-469.
• P. Butler, J.F. Gallagher, A.R. Manning, H. Mueller-Bunz, C.J. McAdam, J. Simpson and B.H. Robinson. 2005. The spectra, structures and electrochemistry of Ni(¿Ø5-C5H5)(PPh3)-C¿kC-Ar complexes, and their reactions with Co2(CO)8. Journal Of Organometallic Chemistry, 690, 21-22, pp4545-4556.
• J. Killoran, J.F. Gallagher, P.V. Murphy and D.F. O'Shea. 2005. A study of the effects of subunit pre-orientation for diarylpyrrole esters; design of new aryl-heteroaryl fluorescent sensors. New Journal Of Chemistry, 29, 10, pp1258-1265.
• G. Ferguson, J.F. Gallagher, A.M. Kelleher, T. Deeney and T.R. Spalding. 2005. Use of Phosphine Gold Acetylides [(R3P)AuC¿kCR] to Form Phosphine Gold Derivatives of Tetra-iron and Penta-iron Clusters. Journal Of Organometallic Chemistry, 690, 12, pp2888-2984.
• G. Ferguson, J.F. Gallagher, J.D. Kennedy, D.M. McCarthy and T.R. Spalding. 2005. Coordination and Cluster Compounds of Ruthenium with the [hypho-1,2-S2B6H9]-. Journal Of The Chemical Society-dalton Transactions, , pp1979-1984.
• G. Ferguson, J.F. Gallagher, J.D. Kennedy, D.P. O'Connell, J.C. Patterson and T.R. Spalding. 2005. Twisted [(R3P)PdX] groups above dicarbaborane ligands: 4-dimethylsulfido-3-iodo-3-triphenylphosphine-closo-3-pallada-1,2-dicarbadodecaborane and 3-dimethylphenyl-phosphine-3-chloro-4-dimethylsulfido-closo-3-pallada-1,2-dicarbadodecaborane. Acta Crystallographica Section C, 61, 8, ppm393-m396.
• M.R.A. Al-Mandhary, R. Buntem, C.L. Doherty, A.J. Edwards, J.F. Gallagher, J. Lewis, C.K. Li, P.R. Raithby, M.C.R. de Arellano, G.P. Shields. 2005. Use of the cationic fragments [Ru(¿Ø5 C5H5)(MeCN)3]+ and [M(¿Ø6 C6H5R)(MeCN)3]+ (M = Os, Ru; R = H, Me) as ionic coupling reagents in the synthesis of the clusters [Os4M2(CO)12(¿Ø6 C6H5R)], [Os4M(CO)12(¿Ø6 C6H6)Au2(dppm)] and [Os5Ru(CO)15(¿Ø5 C5H5)Au(PPh3)]. Journal Of Cluster Science, 16, , pp127-150.
• S. Alley, J.F. Gallagher, V.M. Hooper, P.T.M. Kenny, A.J. Lough. 2005. Methyl 2-[2-(4-ferrocenylbenzoyl)amino]-3-(thiophene)carboxylate and Ethyl 2-[2-(4-ferrocenylbenzoyl)-amino]-4-(1,3thiazole)acetate, a unique ferrocene derivative containing a thiazole group. Acta Crystallographica Section C, 61, 7, ppm365-m369.
• L. Cuffe, R.D.A. Hudson, J.F. Gallagher, S. Jennings, C.J. McAdam, R.B.T. Connolly, A.R. Manning, B.H. Robinson and J. Simpson. 2005. Synthesis, structure and redox chemistry of ethenyl and ethynyl ferrocene polyaromatic dyads. Organometallics, 24, , pp2051-2060.
• S. Goswami, A.K. Adak, R. Mukherjee, S. Jana, S. Dey and J.F. Gallagher. 2005. A convenient palladium catalyzed synthesis of symmetric biaryls, biheterocycles and biaryl chiral diamides. Tetrahedron, 61, , pp4289-4295.
• D. Savage, N. Neary, G. Malone, S.R. Alley, J.F. Gallagher and P.T.M. Kenny. 2005. The synthesis and structural characterization of novel N-meta-ferrocenyl benzoyl amino acid esters. Inorganic Chemistry Communications, 8, 5, pp429-432.
• F.P. Anderson, J.F. Gallagher, P.T.M. Kenny and A.J. Lough. 2005. Redetermination of para-aminopyridine (fampridine, EL-970) at 150 K. Acta Crystallographica Section E, 61, 5, ppo1350-o1353.
• D. Savage, G. Malone, J.F. Gallagher, Y. Ida and P.T.M. Kenny. 2005. Synthesis and structural characterization of N-para-ferrocenyl benzoyl amino acid ethyl esters and the X-ray crystal structures of the glycyl and (+)-2-aminobutyric acid derivative, Fc-C6H4CONHCH(C2H5)CO2Et. Journal Of Organometallic Chemistry, 690/692, , pp383-393.
• S. Alley, J.F. Gallagher, P.T.M. Kenny and A.J. Lough. 2005. Methyl 2-{2-[(ferrocenylcarbonyl)amino]-1-thienyl}-3-carboxylate. Acta Crystallographica Section C, 61, 2, ppm201-m203.
• H.M. Burke, J.F. Gallagher, M.T. Indelli, F. Scandola and J.G. Vos. 2004. The Synthesis and Characterisation of Rh(III) complexes with pyridyl triazole ligands. Inorganica Chimica Acta, 357, 10, pp2989-2300.
• M.J. Sheehy, J.F. Gallagher, M. Yamashita, J. White-Colangelo, J. Johnson, R. Orlando and P.T.M. Kenny. 2004. Synthesis and Structural Characterisation of Redox responsive N-Ferrocenoyl Amino Acid Esters; the X-ray Crystal structure of N-Ferrocenoyl Alanine Methyl Ester; Electrochemical Anion Recognition and 1H NMR anion complexation studies. Journal Of Organometallic Chemistry, 689, 9, pp1511-1520.
• J.F. Gallagher, S. Prosad, B. Chatterjee, S. Jana and K. Dutta. 2004. N-H¿N hydrogen bonding in the 4,6-diphenyl-2-pyrimidinylamine isolated from the plant Justicia Secunda (Acanthaceae). Acta Crystallographica Section C, 60, 4, ppo229-o231.
• J.F. Gallagher, C.M. Coleman and D. O¿Shea. 2004. tert-Butyl 5-Methoxy-3-pentyl-indole-1-carboxylic acid. Acta Crystallographica Section C, 60, 3, ppo149-o151.
• M.L. Godino Salido, P. Arranz Mascaros, R. Lopez Garzon, M.D. Gutierrez Valero, J.N. Low, J.F. Gallagher and C. Glidewell. 2004. Hydrated metal(II) complexes of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding. Acta Crystallographica Section C, B60, , pp46-64.
• Marina Duffy, J.F. Gallagher and A.J. Lough. 2004. C-H¿O and C-H¿ð(arene) interactions in (2S,4S,5R) (-) 2 (4-propoxyphenyl) 3,4 dimethyl-5-phenyl 1,3 oxazolidine. Acta Crystallographica Section E, 60, 3, ppo234-o236.
• B.S. Creaven, J.F. Gallagher, J.P. McDonagh, J. McGinley, B.A. Murray and G.S. Whelan. 2004. A New Binding Motif in Molecular Clips: 1D polymeric self-inclusion in a phenol complex of a bis(methoxyphenyl)glycoluril. Tetrahedron, 60, , pp137-143.
• S. Fox, J.P. Dunne, M. Tacke and J.F. Gallagher. 2004. Novel derivatives of ansa-titanocenes procured from 6-phenylfulvene: a combined experimental and theoretical study. Inorganica Chimica Acta, 357, , pp225-234.

Selected Non-peer Reviewed Journals

• Dr. John F Gallagher. .
• Dr. John F Gallagher. 2012. Crystal Structures deposited on the Cambridge Structural Database (CSD) as Private Deposition Materials to be made available on the CSD at the earliest possible date after deposition.

• John F. Gallagher, MASC-12, MASC-12, 17-DEC-12 - 18-DEC-12, Queen Mary College, London, U.K.
• Pavle Mocilac and John F. Gallagher, Carbamates I: Structural and conformational study of eight Methoxyphenyl-N-pyridinylcarbamates , ECA-27 Meeting, 06-AUG-12 - 11-AUG-12, Bergen, Norway
• John F. Gallagher and Pavle Mocilac, Structural systematics and conformational analyses of a 3×3 isomer grid and three chlorinated relatives, International Union of Crystallography XXIIth, 23-AUG-11 - 29-AUG-11, Madrid, Spain
• Pavle Mocilac and John F. Gallagher, Structural systematic studies and conformational analyses of a 3 x 3 isomer grid of fluoro-N-(pyridyl)benzamides; physicochemical correlations, polymorphism and isomorphous relationships. , International Union of Crystallography XXIIth, 23-AUG-11 - 29-AUG-11, Madrid, Spain
• John F. Gallagher, Journals Commission meeting, IUCr Journals Commission meeting, 19-AUG-11 - 21-AUG-11, El Escorial, Madrid, Spain
• Pavle Mocilac, Alan J. Lough and John F. Gallagher, Structures and conformational analysis of a 3 ¿e 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides, ECA-26 Meeting, 29-AUG-10 - 02-SEP-10, Darmstadt, Germany
• Pavle Mocilac, Mark Tallon, Alan J. Lough and John F. Gallagher, Synthesis, structural and conformational analysis of a 3×3 isomer grid based on nine Methyl-N-(pyridyl)benzamides, ECA-26 Meeting, 29-AUG-10 - 02-SEP-10, Darmstadt, Germany
• John F. Gallagher, Journals Commission and main Crystallographic meeting, International Union of Crystallography XXIth, 23-AUG-08 - 31-AUG-08, Osaka, Japan
• John F. Gallagher, Acta Crystallographica Section C * E, IUCr Journals Commission meeting, 20-AUG-08 - 22-AUG-08, KKR Hotel, Chuo-Ku, Osaka, Japan
• John F. Gallagher, , 'How to drug an ion channel', 16-JUL-07 - 18-JUL-07, Research & Engineering Building, Dublin City University
• John F. Gallagher, Cambridge Structural Database workshop, Cambridge Structural Database meeting, 06-AUG-06 - , University of Leuven, Leuven, Belgium
• John F. Gallagher, Journals Commission and main Crystallographic meeting, 23rd European Crystallographic Meeting, 06-AUG-06 - 11-AUG-06, University of Leuven, Leuven, Belgium
• John F. Gallagher, Synthesis and characterisation of novel ferrocenyl systems for application in coordination chemistry, Irish Inorganic meeting, 09-SEP-05 - 11-SEP-05, Maynooth, Ireland
• John F. Gallagher, Journals Commission and main Crystallographic meeting, International Union of Crystallography XXth, 23-AUG-05 - 31-AUG-05, Florence, Italy
• John F. Gallagher, Acta Crystallographica Section C and E, IUCr Journals Commission meeting, 21-AUG-05 - 23-AUG-05, Montecatini Terme, Italy
• John F. Gallagher, Synthesis and characterisation of novel ferrocenyl systems for application in coordination chemistry, Structural Biology & Biochemistry Lectures, 12-JUL-05 - , Hospital for Sick Children, Toronto, Canada
• John F. Gallagher, 'From Genes to Proteins', The Gairdner International Foundation lectures, 21-NOV-04 - 22-NOV-04, University of Toronto, Toronto, Ontario, Canada
• John F. Gallagher, Protein Crystallography, Buffalo-Hamilton-Toronto crystallography meeting , 05-NOV-04 - , McMaster University, Ontario, Canada
• John F. Gallagher, Journals Commission and main Crystallographic meeting, American Crystallographic Association, 21-JUL-04 - 26-JUL-04, Chicago, U.S.A.
• John F. Gallagher, , Protein Crystallography in Drug Discovery, 29-MAR-04 - 31-MAR-04, Boston, U.S.A.
• John F. Gallagher, Polymorphism in Crystals, American Chemical Society ProSpectives workshop and meeting, 08-FEB-04 - 11-FEB-04, Florida, U.S.A.
• Frankie Anderson, John F. Gallagher, Peter T.M. Kenny, Alan J. Lough, Fluorobenzoyl amino acid and dipeptide esters, Organic Chemistry meeting, 05-SEP-03 - 10-SEP-03, Dubrovnik, Croatia
• John F. Gallagher, Frankie Anderson, Peter T.M. Kenny and Alan J. Lough, Fluorobenzoyl amino acid and dipeptide esters, 21st European Crystallographic Meeting, 25-AUG-03 - 31-AUG-03, Durban, South Africa
• John F. Gallagher, IUCr Journals Commission meeting, IUCr Journals Commission Meeting, 03-AUG-03 - 06-AUG-03, PSI, Villigen, Switzerland
• Frankie Anderson, John F. Gallagher, Peter T.M. Kenny, Alan J. Lough, Fluorobenzoyl amino acid and dipeptide esters, American Crystallographic Association meeting, 21-JUL-03 - 25-JUL-03, Cincinnati, Ohio, USA
• John F. Gallagher, Conference attendance, 7th Biological Crystallography meeting, 10-MAY-03 - 14-MAY-03, Como, Italy
• John F. Gallagher, Gaussian 2003 release - attendance and participation at the workshop, Gaussian '03 workshop, 01-APR-03 - 04-APR-03, Ulm, Germany