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Ruth Amos

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Ruth Amos

Lecturer & Postdoctoral Research Fellow (ACROSS)

Room 411, Chemistry Building, Sandy Bay Campus

+61 3 6226 1085 (phone)

+61 3 6226 2858 (fax)

Ruth.Amos@utas.edu.au

Dr Ruth Amos is a postdoctoral fellow at the School of Physical Sciences in the Discipline of Chemistry. She works in the field of computational chemistry and is presently applying her skills to the problem of separation of drug-like compounds to streamline the pharmaceutical drug development process. The calculation of quantitative structure and retention relationships (QSRR) will allow the prediction of retention times from molecular descriptors allowing in-silico separations, massively decreasing the time and effort required for process development.

Career summary

Qualifications

DegreeThesis TitleUniversity Country Date of Award 
PhD University of TasmaniaAustralia15/12/2010
BSc (1st Class Hons) University of TasmaniaAustralia10/12/2006

Biography

Ruth graduated from the University of Tasmania where she obtained both her BSc (Hons) and PhD. She held a postdoctoral position with the University of Sydney from 2011 until 2014 while simultaneously teaching at the University of Tasmania.

Research Themes

Ruth's research interests lie in the area of computational chemistry, specifically density functional theory and ab initio calculations. She has applied these calculations to the study of reaction mechanisms involving reactive free radicals, as well as to the design of non-transition-metal catalysts for the dehydrogenation of formic acid. 

In addition to computational chemistry she has performed experimental work (originally organic work followed by some materials science) to examine the computational predictions that she has made. Her research is now moving into the area of quantitative structure and retention relationships – applying computational chemistry to separation science.

Memberships

Professional practice

2008 - present: Royal Australian Chemical Institute

Administrative expertise

Unit coordination, online learning development and coordination for the School of Chemistry.

Teaching

Computational Chemistry, Density Functional Theory, Foundation Chemistry, Physical Chemistry

Teaching expertise

Ruth was awarded a Teaching Merit Certificate from the University of Tasmania in 2011. Her teaching expertise includes:

Teaching responsibility

Research Appointments

  • 2013 – 2014: Postdoctoral Fellow, University of Sydney     
  • 2010 – 2013: Postdoctoral Fellow as part of the CSIRO Energy Transformed Cluster on Biofuels, Australian National University   
  • 2010 – 2013: Research Associate, University of Sydney

View more on Dr Ruth Amos in WARP

Expertise

  • Using computational chemistry to predict quantitative structure retention relationships to allow prediction of retention times for drug based compounds
  • Using Density Functional Theory to investigate reaction mechanisms and predict reaction outcomes
  • Performance and interpretation of laboratory experiments to test the outcomes of computational predictions

Awards

  • 2009: RACI Jim O'Donnell Travel Award
  • 2009: Selected to attend HOPE Meeting 2009 in Hakone, Japan.  Awarded conference fees and airfares.
  • 2008: APAC Student bursary to attend WATOC conference
  • 2007: Best Student Oral Presentation, ARC Centre of Excellence in Free Radical Chemistry and Biotechnology Spring Carnival
  • 2007: Young Investigator Award, The Society for Free Radical Research Australasia
  • 2006: University Medal 2006 (UTAS)
  • 2006: Harry Bloom Memorial Prize (highest placing in Chemistry Honours)
  • 2006: EJ Browne Memorial Prize (greatest proficiency in Chemistry Honours for an organic chemistry project)

Current projects

Ruth works in the field of computational chemistry and is presently applying her expertise to the problem of separation of drug-like compounds to streamline the pharmaceutical drug development process. The calculation of quantitative structure and retention relationships (QSRR) will allow the prediction of retention times from molecular descriptors allowingin-silico separations, massively decreasing the time and effort required for process development.

Research Fields

  • Quantum Chemistry (030701)
  • Free Radical Chemistry (030501)
  • Organic Chemical Synthesis (030503)
  • f-Block Chemistry (030202)
  • Organometallic Chemistry (039904)
  • Physical Organic Chemistry (030505)
  • Biomolecular Modelling and Design (030402)

Research Impact

  • Expanding Knowledge in the Chemical Sciences (970103)
  • Hydrogen Production from Renewable Energy (850303)
  • Organic Industrial Chemicals (excl. Resins, Rubber and Plastics) (860604)
  • Infectious Diseases (920109)

Publications

Ruth Amos has a strong publication record, publishing in highly regarded journals. The combined computational and experimental nature of her work leads to robust research and excellent publications.

Total publications

12

Journal Article

(10 outputs)
YearCitationAltmetrics
2015Amos RIJ, Chan B, Easton CJ, Radom L, 'Hydrogen-atom abstraction from a model amino acid: dependence on the attacking radical', The Journal of Physical Chemistry B, 119, (3) pp. 783-788. ISSN 1520-6106 (2015) [Refereed Article]

DOI: 10.1021/jp505217q [eCite] [Details]

Citations: Web of Science - 4

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2015Amos RIJ, Heinroth F, Chan B, Ward AJ, Zheng S, et al., 'Hydrogen from formic acid via its selective disproportionation over nanodomain-modified zeolites', ACS Catalysis, 5, (7) pp. 4353-4362. ISSN 2155-5435 (2015) [Refereed Article]

DOI: 10.1021/cs501677b [eCite] [Details]

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2014Amos RIJ, Heinroth F, Chan B, Zheng S, Haynes BS, et al., 'Hydrogen from formic acid through its selective disproportionation over sodium germanate a non-transition-metal catalysis system', Angewandte Chemie International Edition, 53, (42) pp. 11275-11279. ISSN 1433-7851 (2014) [Refereed Article]

DOI: 10.1002/anie.201405360 [eCite] [Details]

Citations: Web of Science - 3

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2013Amos RIJ, Gourlay BS, Yates BF, Schiesser CH, Lewis TW, et al., 'Mechanistic investigation of the oxidation of hydrazides: implications for the activation of the TB drug isoniazid', Organic and Biomolecular Chemistry, 11, (1) pp. 170-176. ISSN 1477-0520 (2013) [Refereed Article]

DOI: 10.1039/c2ob26419f [eCite] [Details]

Citations: Scopus - 2Web of Science - 2

Co-authors: Gourlay BS; Yates BF; Lewis TW; Smith JA

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2011Amos RIJ, Smith JA, Yates BF, Schiesser CH, 'Acyl radical addition to benzene and related systems - a computational study', Tetrahedron, 66, (38) pp. 7600-7604. ISSN 0040-4020 (2011) [Refereed Article]

DOI: 10.1016/j.tet.2010.07.041 [eCite] [Details]

Citations: Scopus - 3Web of Science - 3

Co-authors: Smith JA; Yates BF

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2009Amos RIJ, Schiesser CH, Smith Jason, Yates BF, 'Nucleophilic Acyl Substitution of Acyl Diimides', Journal of Organic Chemistry, 74, (15) pp. 5707-5710. ISSN 0022-3263 (2009) [Refereed Article]

DOI: 10.1021/jo900923m [eCite] [Details]

Citations: Scopus - 3Web of Science - 3

Co-authors: Smith Jason; Yates BF

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2009Amos RIJ, Smith Jason, Yates BF, Schiesser CH, 'Acyl radical addition to pyridine: multiorbital interactions', Tetrahedron, 65, (36) pp. 7653-7657. ISSN 0040-4020 (2009) [Refereed Article]

DOI: 10.1016/j.tet.2009.06.102 [eCite] [Details]

Citations: Scopus - 5Web of Science - 4

Co-authors: Smith Jason; Yates BF

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2008Amos RIJ, Gourlay BS, Schiesser CH, Smith Jason, Yates BF, 'A mechanistic study on the oxidation of hydrazides: application to the tuberculosis drug isoniazid', Chemical Communications, 2008, (14) pp. 1695-1697. ISSN 1359-7345 (2008) [Refereed Article]

DOI: 10.1039/b719570b [eCite] [Details]

Citations: Scopus - 17Web of Science - 17

Co-authors: Gourlay BS; Smith Jason; Yates BF

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2005Amos RIJ, Gourlay BS, Molesworth PP, Smith JA, Sprod OR, 'Annulation of pyrrole: application to the synthesis of indolizidine alkaloids', Tetrahedron, 61, (34) pp. 8226-8230. ISSN 0040-4020 (2005) [Refereed Article]

DOI: 10.1016/j.tet.2005.06.026 [eCite] [Details]

Citations: Scopus - 36Web of Science - 20

Co-authors: Gourlay BS; Molesworth PP; Smith JA; Sprod OR

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2005Wang J, Amos RIJ, Frey A, Gardiner MG, Cole ML, et al., 'Reversible Sm(III)/Sm(II) Redox Chemistry of an Organosamarium(III) Complex', Organometallics, 24, (10) pp. 2259-2261. ISSN 0276-7333 (2005) [Refereed Article]

DOI: 10.1021/om050172a [eCite] [Details]

Citations: Scopus - 21Web of Science - 21

Co-authors: Wang J; Gardiner MG

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Conference Publication

(2 outputs)
YearCitationAltmetrics
2008Amos RIJ, Dick AKJ, Frey A, Powanusorn S, Stringer DN, et al., 'Lanthanide Complexes of Modified Calix[4]pyrrolides', International Symposium on Homogeneous Catalysis, ISHC-XVI Book of Abstracts, 6-11 Jul 2008, Florence Convention Centre, pp. P440 (poster presentation). (2008) [Conference Extract]

[eCite] [Details]

Co-authors: Dick AKJ; Stringer DN; Wang Jun; Yates BF; Gardiner MG

2005Amos RIJ, Dick AKJ, Frey A, Gardiner MG, Stringer DN, et al., 'Lanthanide metal complexes of modified calix[4]pyrrolides', Books of Abstracts, PacifiChem 2005, 15-20 Dec 2005, Waikiki, pp. 901. (2005) [Conference Extract]

[eCite] [Details]

Co-authors: Dick AKJ; Gardiner MG; Stringer DN; Wang J; Yates BF

Ruth has co-supervised Matthew Tucker in his Honours project – a joint computational and inorganic chemistry project on palladium based catalysis.

She is presently co-supervising three PhD students in the area of quantitative structure retention relationships – using computational predictions based on molecular descriptors to find a model for the separation of drug-like molecules through HILIC, ion-exchange and RPLC columns.