- Research Professor, University of Notre Dame
- Associate Research Professor, University of Notre Dame
- Associate Specialist, University of California, Santa Cruz
- Assistant Specialist, University of California, Berkeley
- Postdoctoral Research Scholar, University of California, Berkeley
- Ph.D. in Chemistry, Waikato University, New Zealand
- M.S. in Chemistry, Waikato University, New Zealand
- B.S. in Chemistry, Waikato University, New Zealand
Crystallography is the study of crystals, their form and structure. In chemistry, we most commonly use crystallography to determine the composition and connectivity of the atoms that make up crystals. From this we can get the 3D molecular structure or the extended structure, which is useful to answer questions of coordination, connectivity, function, reactivity, biological activity, and more. Here at Notre Dame, we use crystallography to study models for the heme site in proteins, to study drug candidates, metal-organic frameworks, and the structure of carbohydrates, as well to study more basic questions of coordination chemistry.
The Molecular Structure Facility is a department resource providing single-crystal X-ray structure determinations for researchers both within the department and without. We perform hundreds of experiments each year, using three state of the art instruments. Most of the experiments are performed by students for their own research after coursework and individual training in crystallography.
- Riffel, M. N.; Siegel, L.; Oliver, A. G. and Tsui, E. Y. "Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands" Dalton Transactions, in press. DOI: 10.1039/d2dt01339h.
- Duarte, V. S.; Paula, R.; Custodio, J.; D'Oliveira, G.; Borges, L. L.; Perez, C. N.; Perjesi, P.; Oliver, A. G. and Napolitano, H. B. "A New Quinolinone-Chalcone Hybrid with Potential Antibacterial and Herbicidal Properties using in Silico Approaches" 2022 Journal of Molecular Modeling, 28 (6), 176. DOI: 10.1007/s00894-022-05140-9.
- Shaffer, C. C.; Oliver, A. G. and Smith, B. D. "Co-Crystals of Tetrachloroauric Acid and 1,3,5-(Methylacetamide)Benzene-Based Tectons: Consistent Trapping of High Energy Molecular Conformation" 2022 CrystEngComm, 24 (21), pp.3879-3885. DOI: 10.1039/d2ce00463a.
- Firmino, P. P.; Queiroz, J. E.; Dias, L. D.; Wenceslau, P.; de Souza, L. M.; Iermak, I.; Vaz, W. F.; Custodio, J.; Oliver, A. G.; de Aquino, G. and Napolitano, H. B. "Synthesis, Molecular Structure, Thermal and Spectroscopic Analysis of a Novel Bromochalcone Derivative with Larvicidal Activity" 2022 Crystals, 12 (4), 440. DOI: 10.3390/cryst12040440.
- Gallagher, M. K.; Baker, J.; Black, R.; Oliver, A. G. and Lappin, A. G. "An X-Ray Investigation of Stereoselectivity in the Interactions of [Co(En)(3)](3+) with [Co(Ox)(3)](3-) (En is Ethane-1,2-Diamine and Ox is Oxalate)" 2022 Acta Crystallographica Section C-Structural Chemistry, 78, pp.212. DOI: 10.1107/S2053229622002194.
- Lin, J.; Oliver, A. G. and Serianni, A. S. "D-Mannosamine Hydrochloride (2-Amino-2-Deoxy-D-Mannose Hydrochloride): Ionic Hydrogen Bonding in Saccharides Involving Chloride and Aminium Ions" 2022 Acta Crystallographica Section C-Structural Chemistry, 78, pp.223. DOI: 10.1107/S2053229622002121.