Associate Professor Jo Lane
Qualifications: BSc(Hons) Otago, PhD Otago
- Reason, Daniel. Investigating the extraction and purification of various vannabinoids from Cannabis sativa
- Fortney-Zirker, Ryland. A synthetic exploration by ESI-MS of novel M2S2 complexes
- Risi, Matthew. Studies on the coordination chemistry of functionalised thiourea ligands
- Buckley, Nathaniel. Novel sulfonamides for the treatment of breast and cervical cance
- Russell, Ash. Developing a docking library for Cannabis sativa L.
- Van Tiel, Troy. A dynamic look into hydrogen bonding in proteins
- Non-covalent interactions: Theory development for quantifying the strength of non-covalent interactions; benchmark structures and interaction energies.
- Biological chemistry and bioactive molecules: Separation chemistry for medicinal cannabis products; mānuka honey chemistry; characterisation of marine bioactives; modified nucleobase base pairs (DNA/RNA).
- Atmospheric chemistry: Weakly-bound complexes, photodissociation mechanisms; gas-phase reaction kinetics; simulating vibrational and electronic spectra; nitrous oxide (N2O) chemistry; sulfur chemistry; aerosol formation.
- Inorganic and materials chemistry: Gas separation using nanoporous materials e.g. metal organic framework (MOF) materials; crystal engineering; beryllium chemistry; structural characterisation; simulating NMR and IR spectra.
My research group makes extensive use of the New Zealand eScience Infrastructure (NeSI) supercomputers. We use a broad range of computational chemistry programmes, including Q-Chem, MOLPRO, Gaussian, Newton-X, CFOUR, Orca, TURBOMOLE, CPMD, AMBER, CHARMM, NAMD, AutoDock Vina, GOLD. We have also developed our own software for characterizing non-covalent interactions, which is known as Bonder.
New Masters and PhD students are always welcome. Eligible students can apply for scholarships here.
Nwokelo, M. O., Izuogu, D. C., Okpareke, O. C., Ibeji, C. U., Oyeka, E. E., Lane, J. R., & Asegbeloyin, J. N. (2021). Structural, computational and antimicrobial studies of 2–[(E)–[2–(2,4,6-trimethylbenzenesulfonyl)-hydrazinylidene] methyl] benzoic acid and its Cu(II), Zn(II) and Co(II) complexes. Journal of Molecular Structure, 1225. doi:10.1016/j.molstruc.2020.129019
Chen, J., Berndt, T., Møller, K. H., Lane, J. R., & Kjaergaard, H. G. (2021). Atmospheric Fate of the CH3SOO Radical from the CH3S + O2 Equilibrium. The Journal of Physical Chemistry A. doi:10.1021/acs.jpca.1c06900
Frandsen, B. N., Deal, A. M., Lane, J. R., & Vaida, V. (2021). Lactic acid spectroscopy: Intra- and intermolecular interactions. The Journal of Physical Chemistry A, 125(1), 218-229. doi:10.1021/acs.jpca.0c09341
Frandsen, B. N., Farahani, S., Vogt, E., Lane, J. R., & Kjaergaard, H. G. (2020). Spectroscopy of OSSO and other sulfur compounds thought to be present in the Venus atmosphere. The Journal of Physical Chemistry A, 124(35), 7047-7059. doi:10.1021/acs.jpca.0c04388 Open Access version: https://hdl.handle.net/10289/13834
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Contact DetailsEmail: [email protected]
Phone: +64 7 837 9391