Assistant Professor of Chemistry
Montgomery Hall, Room 131
- 2014: Ph.D. Chemistry, University of Bristol, Bristol, UK. Advisor: Prof. Michael Ashfold FRS. Experimental gas phase photodissociation dynamics.
2010: M.Sci. Chemistry with Honors, University of Birmingham, UK.
- 2018 – Present: Assistant Professor of Chemistry, University of Louisiana at Lafayette, LA
- 2016 – 2018: Post-doctoral research associate, Computational and Theoretical Chemistry, Temple University, PA, USA.
- 2014 – 2016: Post-doctoral research associate, Chair for Theoretical Chemistry, Technical University of Munich, Munich, Germany.
We are interested in developing and applying computational methods for modelling the chemical and physical properties of molecular systems, at both the single-molecule level and in complex environments.
Specific areas of interest are:
1. Photochemistry and Photobiology
We are interested in exploring the excited state reactivity of (bio)organic molecules in both the gas phase and in complex bulk environments. In particular, we are interested in the mechanisms of organic photocatalysis and the photostability of biological systems (e.g. DNA and Melanins) – i.e. the ways in which such systems cope with electronic excitation and rapidly dissipate the excess energy and reform the original starting structures in the electronic ground state – with little or no detriment. Such processes are important from a biological and industrial perspective.
Recent studies have focused on:
- Understanding Energy Transfer Processes in Biological Chromophores
- Developing (Photo)Redox-Active Systems for Effective and Targetted Cancer Therapy.
- Modified Natural Sunscreens for Potential Alternatives in Commericial Products.
2. Atmospheric Chemistry
We are interested in the ways in which anthropogenic and biogenic volatile organic compounds interact with tropospherically relevant gas molecules (e.g. O2, O3, NOX, SO2 etc.). We are particularly interested in how the nascent products undergo unimolecular, bimolecular or solar-UV-induced decay. Recently we have focussed on developing robust computational methods for exploring the early-time chemistry associated with atmospheric new particle formation, as well as heterogeneous reactions at aerosol surfaces. We are particularly interested in how the short-lived intermediates mediate cloud activation and/or modulate their optical properties. Such research is of great topical importance as climate change is one of the most significant societal challenges.
3. Environmental and Marine Chemistry
Dissolved organic matter (DOM) is a highly composite mixture of organic materials found in water environments. They mostly derive from the decay of organic tissues. DOM has vital importance for recycling of essential nutrients as well as participating in the transport and reactivity of many organic components dissolved in rivers, basins and oceans. An important sub-set of such reactions include the production of extremely reactive intermediates (e.g. singlet oxygen and hydroxyl radicals) following absorption of UV-Vis light on ocean surfaces and estuarian waters. In collaboration with Dr. Barbara Marchetti, we aim at investigating the photochemical and photophysical processes involved in the photoexcitation of DOM and its various components. We are particularly interested in how excitation wavelength and local chemical environment effects the evolving photochemistry.
4. Microscale Modeling of Biomaterials
We are interested in using and developing Plane-Wave Density Functional Theory methods, in order to study the mechanical and optical properties of biomaterials. The overarching aim is to understand how composition and structure impacts the specific functions of a given biomaterial - in an attempt to develop more diverse and versatile alternatives. Recent studies have focussed on prosthetic contact lenses and prosthodontics.
X. Lei, Q. Lian, X. Zhang, T. N. V. Karsili, W. Holmes, Y. Chen, M. E. Zappi, D. D. Gang, A review of PFAS adsorption from aqueous solutions: Current approaches, engineering, applications, challenges, and opportunities, Environmental Pollution, 2023, 321, 121138.
G. Wang, T. Liu, M. Zou, C. A. Sojdak, M. C. Kozlowski, T. N. V. Karsili, and M. I. Lester, Electronic Spectroscopy and Dissociation Dynamics of Vinyl-Substituted Criegee Intermediates: 2-Butenal Oxide and Comparison with Methyl Vinyl Ketone Oxide and Methacrolein Oxide Isomers, Journal of Physical Chemistry A, 2023, 127, 203-215.
E. Antwi, N. A. Packer, J. M. Ratliff, B. Marchetti, T. N. V. Karsili, Insights into the Ultrafast Photodissociation Dynamics of Isoprene Derived Criegee Intermediates, Photochemistry and Photobiology, 2022, DOI: 10.1111/php.13736.
E. J. Stelz-Sullivan, J. M. Racca, J. C. McCoy, D. L. Charif, L. Islam, X-D Zhou, B. Marchetti, T. N. V. Karsili, Enhancing STEM Education by Integrating Research and Teaching in Photochemistry: An Undergraduate Chemistry Laboratory in Spectroscopy and Photochemistry, Education Sciences, 2022, 12, 729.
- E. Antwi, J. M. Ratliff, M. N. R. Ashfold, T. N. V. Karsili, Comparing the Excited State Dynamics of CH2OO, the Simplest Criegee Intermediate, Following Vertical versus Adiabatic Excitation, Journal of Physical Chemistry A, 2022, 126, 36, 6236 - 6243.