Dr Kasimir Gregory

- School of Science and Technology

Mobile: +61432 353 075

Building: C23 - UNE Armidale Campus. Rm 2.22

Biography

Kas obtained a Bachelor of Mathematics/Bachelor of Science (Hons – Chemistry and University Medal) from the University of Newcastle in 2018 and followed by undertaking a PhD there under the supervision of Prof. Alister Page, Prof. Erica Wanless and Prof. Grant Webber. During his PhD he investigated specific ion effects via computational and quantum chemistry. He then undertook a postdoctoral fellowship under the supervision of Prof. Vince Craigin Materials Physics at the Australian National University (ANU) to continue this project experimentally, by building a maximum bubble pressure surface tensiometer to use on nonaqueous electrolytes. Following this Kas moved across to the Division of Biomedical Sciences and Biochemistry in the Research School of Biology at ANU to work with Prof. Ben Corry. Primarily this project was investigating the thermodiffusion of salts with the purpose of optimising this potential new membrane free desalination method, as well as malarial protein transport mechanisms. Both via molecular dynamics simulations. Kas is now lecturing in Computational, Physical and Theoretical Chemistry here at the University of New England. He also has a podcast, Anion the Future, for exploring Academics Novel Ideas, Origins and Networks.

Qualifications

2018-2022 Doctor of Philosophy (Chemistry), University of Newcastle - A quantum chemical investigation of Hofmeister effects in non-aqueous solvents

2017 Bachelor of Science (Honours), Class 1 and University Medal, University of Newcastle

2013-2016 Bachelor of Science (with Distinction), University of Newcastle

2013-2016 Bachelor of Mathematics (with Distinction), University of Newcastle

Awards

2023 - CAS Future Leaders Top 100
2022 - 7NEWS Young Achiever Awards NSW & ACT, Western Sydney University Academic Achievement Award Finalist
2022 - 33^rd Australian Colloid and Surface Science Student Conference - Most questions asked award
2020 - People’s Choice Award at the Inaugural Australasian Colloids and Interface Society 3 Minute Thesis Competition
2019 - Okinawa-Colloids 2019 Student Bursary
2018- ICEAN 2018 Conference Support Program
2018-2022- Awarded a Research Training Program Stipend and Allowances and a Research Training Program
2017 - Awarded the University Medal (University of Newcastle)
2017 - Awarded the Faculty Medal (Faculty of Science)
2017 - Placed on Faculty Commendation (Faculty of Science)
2016 - Awarded the Peter Hendry Prize in Biochemistry
2016 - Awarded the Royal Australian Chemical Institute Prize in Level 3000 Chemistry
2016 - Awarded the R K Whiteley Prize in Surface Chemistry
2013-2016 - Placed on the Faculty Commendation List (Faculty of Science and Information Technology)
2015 - Awarded the Faculty of Science and IT Vacation Scholarship
2014-2015 - Bachelor of Science Merit Pathway

Primary Research Area/s

Specific Ion effects ; Solvent properties ; Computational Chemistry

Research Interests

Research interests -

AI
Plastic degradation
Enzymes

Research grants -

2023 - ANUMAS led by Prof. Ben Corry: Molecular simulation of membrane receptors, transporters and pores. 20.739MSU; eq. to $829,560
2023 - NCMAS led by Prof. Ben Corry: Molecular simulation of membrane receptors, transporters and pores. 12.8MSU; eq. to $512,000
2023 - NCI ADAPTER Scheme led by Kasimir Gregory: Investigating the noncovalent interactions in cation-amino acid interactions. 250 KSU; eq. to $10,000
2023 - University of Newcastle, Incentives for Publishing in High-Quality Journals for 2022 article, “Understanding specific ion effects and the Hofmeister series”, published in Physical Chemistry Chemical Physics. Led by Kasimir Gregory. $1000
2023 - 2023/2024 Pawsey Summer Internship Program led by Timothy Duignan. Neural network potential molecular dynamics computation of electrolyte solution properties. Two student internships eq. to $12,000.
2023 - NCI ADAPTER Scheme led by Kasimir Gregory: How do different ions interact with a representative amide molecule? 125 KSU; eq. to $5,000
2023 - ANU Research School of Biology Seed Funding Scheme (R41510RC48) led by Kasimir Gregory. Predicting thermodiffusion in complex liquid mixtures. $10,000
2022 - ANUMAS led by Prof. Ben Corry: Molecular simulation of membrane receptors, transporters and pores. 19. 6MSU; eq. to $784,000
2022 - NCMAS led by Prof. Ben Corry: Molecular simulation of membrane receptors, transporters and pores. 10.5MSU; eq. to $420,000
2022 - NCI ADAPTER Scheme led by Kasimir Gregory: Solvents and electrolyte structures under confinement: monolayers and molecular lines. 236 KSU; eq. to $9,440
2022 - Australian Synchrotron proposal (P18608) led by Prof. Gunther Andersson. Solvation of ions in non-aqueous solvents: solvation shell of anions and cations – Part 2: $32,784
2022 - Australian Synchrotron proposal (P18495) led by Prof. Gunther Andersson. Solvation of ions in non-aqueous solvents: solvation shell of anions and cations – Part 1: $98,352
2022 - Australian Centre for Neutron Scattering proposal (P13257) led by Prof. Grant Webber. Probing the role of the solvent in determining the nature of specific ion effects in polymer brush.$32,185
2021 - Australian Centre for Neutron Scattering proposal (P9724) led by Grant Webber. The role of non-aqueous solvent identity in the manifestation of specific ion effects on polymer brushes. $45,980
2021 - Australian Centre for Neutron Scattering proposal (P9723) led by Grant Webber. How do different ions affect the adsorption of a Pluronic copolymer at the air-water interface?$39,480
2021 - Australian Centre for Neutron Scattering proposal (P9556) led by Grant Webber. Copy of P9264: How does salt identity affect the structure of adsorbed pluronics at the air-water interface? No amount listed.
2021 - Australian Centre for Neutron Scattering proposal (P9551) led by Stuart Prescott. Copy of P9444: Developing a Systematic Model to Investigate Allergen-Lung Surfactant Interactions and their role in Thunderstorm Asthma. No amount listed.
2021 - Australian Centre for Neutron Scattering proposal (P9550) led by Stuart Prescott. Copy of P9439: Understanding the Effect of Plasma Treatment on Structural Alteration in Mucin and development of Thunderstorm Asthma. No amount listed.
2021 - Australian Centre for Neutron Scattering proposal (P9263) led by Grant Webber. How does the distribution of ions within a polymer brush relate to their effects on the polymer behaviour? $41,105
2020 - Australian Centre for Neutron Scattering proposal (P8903) led by Grant Webber. Preparation of deuterated propylene carbonate to probe specific ion effects on PNIPAM brush conformation in different solvent environments. No amount listed.
2020 - Australian Centre for Neutron Scattering proposal (P8671) led by Grant Webber. NDF- What is the role of non-aqueous solvent in determining the nature of specific ion effects in PNIPAM brushes? $38,340
2020 - Australian Centre for Neutron Scattering proposal (P8670) led by Grant Webber. How does electron density of an anion effect its influence on the structure of a PNIPAM brush? $39,915
2020 - Australian Centre for Neutron Scattering proposal (P8583) led by Grant Webber. Copy of P8280: How does electron density of an anion effect its influence on the structure of a PNIPAM brush? No amount listed.
2020 - Australian Centre for Neutron Scattering proposal (P8553) led by Grant Webber. Copy of 8279 What is the role of the solvent in determining the nature of specific ion effects in polymer brushes? No amount listed.
2018 - Australian Government Research Training Program (RTP) Scholarship at the University of Newcastle. $85,500 stipend + ~$48,000 course fees

Research Supervision Experience

Current co-supervisor of 1x PhD student

Co-supervision of 5x undergraduate, honours and research assistants.

Publications

Gregory, K.P., Wanless, E.J., Webber, G.B., Craig, V.S.J., Page, A.J., The electrostatic origins of specific ion effects: quantifying the Hofmeister series for anions. Chemical Science 12 (2021): 15007-15015. Featured on the front cover. Featured in Chemistry World. Featured in Campus Review. Featured in Chemistry in Australia.

Gregory, K.P., Elliott, G.R., Robertson, R., Kumar, A., Wanless, E.J., Webber, G.B., Craig, V.S.J., Andersson G.G., Page, A.J., Understanding specific ion effects and the Hofmeister series. Physical Chemistry Chemical Physics, 24 (2022): 12682-12718. Featured on the inside Front Cover. Featured in themed collections: PCCP Reviews and 2022 PCCP HOT Articles. Top 5 most downloaded PCCP articles in 2022. Web of Science “Highly Cited” article.

Gregory, K.P., Webber, G.B., Wanless, E.J., Craig, V.S.J., Page, A.J., A first-principles alternative to empirical solvent parameters. Physical Chemistry Chemical Physics, 26 (2024): 20750-20759. Featured on the front cover.

Gregory, K.P., Elliott, G.R., Wanless, E.J., Webber, G.B., Page, A.J., A quantum chemical molecular dynamics repository of solvated ions. Scientific Data, 9, 430 (2022)

Gregory, K.P., Webber, G.B., Wanless, E.J., Page, A.J., Decomposing Hofmeister Effects on Amino Acid Residues with Symmetry Adapted Perturbation Theory. Electronic Structure, 5 (2023): 014007. Published as part of a Focus issue “Electronic Structure in Biology: Using Electronic Structure Calculations to Understand Biological Systems.”.

Gregory, K.P., Webber, G.B., Wanless, E.J., Page, A.J., Lewis strength determines specific-ion effects in aqueous and nonaqueous solvents. The Journal of Physical Chemistry A 123, 30 (2019): 6420-6429. Published as part of The Journal of Physical Chemistry virtual special issue “Leo Radom Festschrift”.

Burke, T., Gregory, K.P., Page, A.J., Hofmeister Effects Influence Bulk Nanostructure in a Protic Ionic Liquid. Journal of Colloid and Interface Science, 645 (2023): 420-428.

Elliott, G.R., Gregory, K.P., Robertson H, Craig, V.S.J., Webber, G.B., Wanless, E.J., Page, A.J., The known-unknowns of anomalous underscreening in concentrated electrolytes. Chemical Physics Letters, 843 (2024): 141190.

Robertson, H., Gresham, I.J., Nelson, A.R.J., Gregory, K.P., Johnson, E.C., Willott, J.D., Prescott, S.W., Webber, G.B., and Wanless, E.J., Solvent-Modulated Specific Ion Effects: Poly(N-isopropylacrylamide) Brushes in Nonaqueous Electrolytes. Langmuir, 40, 1 (2024): 335–347.

Robertson, H., Willott, J.D., Gregory, K.P., Johnson, E.C., Gresham, I.J., Nelson, A.R.J., Craig, V.S.J., Prescott, S.W., Chapman, R., Webber, G.B., and Wanless, E.J., From Hofmeister to hydrotrope: Effect of anion hydrocarbon chain length on a polymer brush. Journal of Colloid and Interface Science, 634 (2023): 983-994

Murdoch, T.J., Humphreys, B.A., Willott, J.D., Gregory, K.P., Prescott, S.W., Nelson, A., Wanless, E.J., Webber, G.B., Specific anion effects on the internal structure of a poly (N-isopropyl acrylamide) brush. Macromolecules 49, 16 (2016): 6050-6060.

Memberships

RACI, ACIS