Dr Patrick O'malley (BSc, PhD, H.D.E, D. Sc) - publications


 

List of publications

2016

  • Sun, C., Taguchi, A. T., Vermaas, J. V., Beal, N. J., O'Malley, P. J., Tajkhorshid, E., ... Dikanov, S. A. (2016). Q-Band Electron-Nuclear Double Resonance Reveals Out-of-Plane Hydrogen Bonds Stabilize an Anionic Ubisemiquinone in Cytochrome bo3 from Escherichia coli. Biochemistry, 55(40), 5714-5725. DOI: 10.1021/acs.biochem.6b00669. Publication link: 968e1749-fc47-46ef-a3a6-c33f807f6d72
  • Beal, N., & O'Malley, P. (2016). Manganese Oxidation State Assignment for Manganese Catalase. Journal of the American Chemical Society, 138(13), 4358-4361. DOI: 10.1021/jacs.6b02600. Publication link: 1f118428-a1c1-4d40-9489-5d8eedbcbc6b

2015

  • De Almeida, W. B., & O'Malley, P. J. (2015). The effect of methoxy group rotation and hydrogen bonding on the redox properties of ubiquinone. Computational and Theoretical Chemistry, 1069, 11-17. DOI: 10.1016/j.comptc.2015.06.013. Publication link: 6809cd55-099e-4801-9840-39b721e7bc3a
  • Patrick, J. O., O'Malley, P. J., Agger, J. R., & Anderson, M. W. (2015). Teaching a Chemistry MOOC with a Virtual Laboratory: Lessons Learned from an Introductory Physical Chemistry Course. Journal of Chemical Education, 92(10), 1661-1666. DOI: 10.1021/acs.jchemed.5b00118. Publication link: 3a146b15-cb74-4f2a-af33-903e65de247d
  • Taguchi, A. T., O'Malley, P. J., Wraight, C. A., & Dikanov, S. A. (2015). Hydrogen Bond Network around the Semiquinone of the Secondary Quinone Acceptor Q(B) in Bacterial Photosynthetic Reaction Centers. Journal of Physical Chemistry B, 119(18), 5805-5814. DOI: 10.1021/acs.jpcb.5b03434. Publication link: 056de09a-c6b6-4732-a034-ea1fffa8340c
  • Sun, C., Taguchi, A. T., Beal, N. J., O'Malley, P. J., Dikanov, S. A., & Wraight, C. A. (2015). Regulation of the Primary Quinone Binding Conformation by the H Subunit in Reaction Centers from Rhodobacter sphaeroides. The journal of physical chemistry letters, 6(22), 4541-6. DOI: 10.1021/acs.jpclett.5b01851. Publication link: b9d5465e-54e8-4a61-b355-16f235a2d074
  • Yi, S. M., Taguchi, A. T., Samoilova, R. I., O'Malley, P. J., Gennis, R. B., & Dikanov, S. A. (2015). Plasticity in the High Affinity Menaquinone Binding Site of the Cytochrome aa(3)-600 Menaquinol Oxidase from Bacillus subtilis. Biochemistry, 54(32), 5030-5044. DOI: 10.1021/acs.biochem.5b00528. Publication link: a1bff4a5-73b9-413d-8818-32d7f54800f6

2014

  • Taguchi, A. T., O'Malley, P. J., Wraight, C. A., & Dikanov, S. A. (2014). Nuclear hyperfine and quadrupole tensor characterization of the nitrogen hydrogen bond donors to the semiquinone of the QB site in bacterial reaction centers: A combined X- and S-band 14,15N ESEEM and DFT study. Journal of Physical Chemistry B, 118(6), 1501-1509. DOI: 10.1021/jp411023k. Publication link: fac5bb2a-7c19-48e1-b234-67bde17d61d2
  • Taguchi, A. T., Mattis, A. J., O'Malley, P. J., Dikanov, S. A., & Wraight, C. A. (2014). Methoxy Dihedral Angles of Ubiquinone Contribute More than 160 mV to the Redox Potential Difference between the Primary (QA) and Secondary (QB) Quinones of the Photosynthetic Reaction Center. BIOPHYSICAL JOURNAL, 106(2). DOI: 10.1016/j.bpj.2013.11.2095. Publication link: 9c43b389-95dc-4b90-b3dc-047244c6389a
  • Taguchi, A. T., O'Malley, P. J., Wraight, C. A., & Dikanov, S. A. (2014). Hyperfine and nuclear quadrupole tensors of nitrogen donors in the Q A site of bacterial reaction centers: Correlation of the histidine Nδ tensors with hydrogen bond strength. Journal of Physical Chemistry B, 118(31), 9225-9237. DOI: 10.1021/jp5051029. Publication link: 53edd6c5-9560-467f-a601-b6af81f116c1
  • Hong, S., de Almeida, W. B., Taguchi, A. T., Samoilova, R. I., Gennis, R. B., O'Malley, P. J., ... Crofts, A. R. (2014). The Semiquinone at the Q(i) Site of the bc(1) Complex Explored Using HYSCORE Spectroscopy and Specific Isotopic Labeling of Ubiquinone in Rhodobacter sphaeroides via C-13 Methionine and Construction of a Methionine Auxotroph. Biochemistry, 53(38), 6022-6031. DOI: 10.1021/bi500654y. Publication link: 613609ae-ec26-48c6-b556-284aa604f050
  • Taguchi, A. T., Mattis, A. J., O'Malley, P. J., Dikanov, S. A., & Wraight, C. A. (2014). Methoxy Dihedral Angles of Ubiquinone Contribute More than 160 mV to the Redox Potential Difference between the Primary (Q(A)) and Secondary (Q(B)) Quinones of the Photosynthetic Reaction Center. Biophysical Journal, 106(2), 370A-370A. . Publication link: 0f9a5723-c424-4951-a918-318f6dc0574d
  • De Almeida, W. B., Taguchi, A. T., Dikanov, S. A., Wraight, C. A., & O'Malley, P. (2014). The 2-methoxy group orientation regulates the Redox potential difference between the primary (QA) and secondary (QB) Quinones of type ii bacterial photosynthetic reaction centers. Journal of Physical Chemistry Letters, 5(15), 2506-2509. DOI: 10.1021/jz500967d. Publication link: 1f9419f9-f376-4537-8678-8983c953ac60

2013

  • Taguchi, A. T., O'Malley, P. J., Wraight, C. A., & Dikanov, S. A. (2013). Conformational differences between the methoxy groups of QA and QB site ubisemiquinones in bacterial reaction centers: A key role for methoxy group orientation in modulating ubiquinone redox potential. Biochemistry, 52(27), 4648-4655. DOI: 10.1021/bi400489b. Publication link: 79972cbd-0aa1-4279-95fd-5dc4aff87c33
  • Taguchi, A. T., Mattis, A. J., O'Malley, P. J., Dikanov, S. A., & Wraight, C. A. (2013). Tuning cofactor redox potentials: The 2-methoxy dihedral angle generates a redox potential difference of >160 mV between the primary (QA) and secondary (QB) quinones of the bacterial photosynthetic reaction center. Biochemistry, 52(41), 7164-7166. DOI: 10.1021/bi4011896. Publication link: b8c2116e-1353-4f00-9b13-cec7001b1896
  • Alex, T., & O'Malley, P. (2013). Methoxy group rotation. Biochemistry, 56(8), 213-219. . Publication link: d2a3ca12-f398-43be-9fe8-d7e4266ddc3f

2012

  • Martin, E., Baldansuren, A., Lin, T-J., Samoilova, R. I., Wraight, C. A., Dikanov, S. A., & O'Malley, P. J. (2012). Hydrogen bonding between the Q(B) site ubisemiquinone and Ser-L223 in the bacterial reaction center: a combined spectroscopic and computational perspective. Biochemistry, 51(45), 9086-9093. DOI: 10.1021/bi300834w, 10.1021/bi300834w. Publication link: e45feec8-6a14-475c-ae04-5415bc8cd2ec | PubMed:23016832
  • Lin, M. T., Baldansuren, A., Hart, R., Samoilova, R. I., Narasimhulu, K. V., Yap, L. L., ... Dikanov, S. A. (2012). Interactions of intermediate semiquinone with surrounding protein residues at the Q(H) site of wild-type and D75H mutant cytochrome bo3 from Escherichia coli. Biochemistry, 51(18), 3827-38. DOI: 10.1021/bi300151q. Publication link: 647c462c-d9da-4267-ab3e-acb96c9f7e78 | PubMed:22497216
  • Lin, M. T., Baldansuren, A., Hart, R., Samoilova, R. I., Narasimhulu, K. V., Yap, L. L., ... Dikanov, S. A. (2012). Interactions of intermediate semiquinone with surrounding protein residues at the QH site of wild-type and D75H mutant cytochrome bo 3 from Escherichia coli. Biochemistry, 51(18), 3827-3838. DOI: 10.1021/bi300151q. Publication link: 4f0a689f-c1c7-42b4-9691-b46764aab6b7

2011

  • Martin, E., Samoilova, R. I., Narasimhulu, K. V., Lin, T. J., OMalley, P. J., Wraight, C. A., & Dikanov, S. A. (2011). Hydrogen bonding and spin density distribution in the Q B semiquinone of bacterial reaction centers and comparison with the Q A site. Journal of the American Chemical Society, 133(14), 5525-5537. DOI: 10.1021/ja2001538. Publication link: 6349700d-8cb5-40a6-b56d-a578532d3258
  • Lin, T. J., & O'Malley, P. J. (2011). An ONIOM study of the spin density distribution of the QA site plastosemiquinone in the photosystem II reaction center. Journal of Physical Chemistry B, 115(14), 4227-4233. DOI: 10.1021/jp112163w. Publication link: db27824c-230e-4b2f-9212-f87f49fab564
  • Lin, T. J., & O'Malley, P. J. (2011). Binding site influence on the electronic structure and electron paramagnetic resonance properties of the phyllosemiquinone free radical of photosystem i. Journal of Physical Chemistry B, 115(29), 9311-9319. DOI: 10.1021/jp203484w. Publication link: e0111856-c951-46d0-878e-f2e507b4b985

2010

2007

  • Evans, R. J., Flower, K. R., Leal, L. G., O'Malley, P. J., Mangold, C., Pritchard, R. G., & Warren, J. E. (2007). Hemilabile orthometallated acetals: Synthesis, spectroscopic characterization and crystal and molecular structures of [RuCl{η2-C,O-C6H4-2-CH(O2C2H4)}(CO)(PPh3)2] and [HgBr{η2-C,O-C6H4-2-CH(O2C2H4)}]. Journal of Organometallic Chemistry, 692(12), 2519-2528. DOI: 10.1016/j.jorganchem.2007.02.029. Publication link: 80bd48b7-ce13-4b51-8c83-61e69f7dee41

2006

  • Singh, N. K., Popelier, P. L. A., & O'Malley, P. J. (2006). Substituent effects on the stability of para substituted benzyl radicals. Chemical Physics Letters, 426(1-3), 219-221. DOI: 10.1016/j.cplett.2006.06.008. Publication link: d9374acd-88e7-4fc9-847d-351a660a58d1
  • Singh, N., Loader, R. J., O'Malley, P. J., & Popelier, P. L. A. (2006). Computation of relative bond dissociation enthalpies (ΔBDE) of phenolic antioxidants from Quantum Topological Molecular Similarity (QTMS). Journal of Physical Chemistry A, 110(20), 6498-6503. DOI: 10.1021/jp0553885. Publication link: 8c1a7062-a5a6-4ebe-943b-0762c0b61a24
  • Loader, R. J., Singh, N., O'Malley, P. J., & Popelier, P. L. A. (2006). The cytotoxicity of ortho alkyl substituted 4-X-phenols: A QSAR based on theoretical bond lengths and electron densities. Bioorganic and Medicinal Chemistry Letters, 16(5), 1249-1254. DOI: 10.1016/j.bmcl.2005.11.079. Publication link: 8fc0d237-10d6-44ae-936b-d1c2cceeef13

2005

  • Singh, N., O'Malley, P. J., & Popelier, P. L. A. (2005). Mechanistic aspects of hydrogen abstraction for phenolic antioxidants. Electronic structure and topological electron density analysis. Physical Chemistry Chemical Physics, 7(4), 614-619. DOI: 10.1039/b415075a. Publication link: 4f5be1c9-8550-4de3-a563-bd71dac95610

1995

  • O' Malley, P. J., MacFarlane, A. J., Rigby, S. E. J., & Nugent, J. H. A. (1995). The geometry and spin density distribution of the tyrosyl radical: a molecular orbital study. Biochimica et Biophysica Acta. Bioenergetics , 1232(3), 175-179. . Publication link: aa578ab1-48c8-4943-a232-51503ee2e78a

1994

  • Rigby, S. E. J., Nugent, J. H. A., & O'Malley, P. J. (1994). The dark stable tyrosine radical of photosystem 2 studied in three species using ENDOR and EPR spectroscopies. Biochemistry, 33(7), 1734-1742. . Publication link: 8912021f-f27e-410f-83ce-8830d9424657 | PubMed:8110776
  • Rigby, S. E. J., Nugent, J. H. A., & O'Malley, P. J. (1994). ENDOR and special triple resonance studies of chlorophyll cation radicals in photosystem 2. Biochemistry, 33(33), 10043-10050. . Publication link: dd138ff8-4d91-4e5f-a286-52992db2febe | PubMed:8060973

Personal details | Research | Postgraduate opportunities | Publications | Teaching | Further information

▲ Up to the top