AWRI Staff
Paul Smith
Position: Research Manager - Industry Applications
Qualifications: BSc(Hons) PhD, Flinders University
Email:
Phone: 08 8303 6634
Fax: 8303-6601
Since: 5 May 2003
Other online resources: AWRI Presentations (password protected, click here to register an account)
Previous: He received his PhD in Chemistry from Flinders University (2000), where he undertook research into organic synthesis of bridged, bicyclic amines using free-radical techniques. For his post-doctoral research, Paul first worked at CSIRO Molecular Science division in Melbourne. Subsequently, his interest in aspects of molecular recognition and drug-discovery led him to take up a NH&MRC-funded research position with the Department of Clinical Pharmacology at Flinders University, where he studied structure-function relationships of human drug-metabolising enzymes (2001-2003), before joining the Tannin team at the Institute.
Research
Phenolic and tannin chemistry related to colour and mouth-feel properties, medicinal chemistry, structure-function relationships, molecular recognition and catalysis by glycosyltransferases, drug metabolism, organic chemistry.
Video:
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Publications
Peer reviewed
Della, E.W.; Knill, A.M.; Smith, P.A. (1996) Novel synthesis of bridgehead nitrogen heterocycles by ring-closure of alpha-ammonio radicals. Chemical Communications (14): 1637-1638.
Della, E.W.; Kostakis, C.; Smith, P.A. (1999) Regioselective 6-endo cyclization of 5-carbomethoxy-5-hexenyl radicals: A convenient synthesis of derivatives of the 1-azabicyclo 2.2.1 heptyl system. Organic Letters 1(3): 363-365.
Della, E.W.; Smith, P.A. (1999) Synthesis of bridgehead nitrogen heterocycles via cyclization of alpha-ammonio 5-hexenyl radicals. Journal of Organic Chemistry 64(6): 1798-1806.
Della, E.W.; Smith, P.A. (2000) Intramolecular cyclization of beta-amino and beta-ammonio radicals: A new synthetic route to the 1-azabicyclo 3.2.1 octyl- and - 2.2.1 heptyl systems. Journal of Organic Chemistry 65(20): 6627-6633.
Della, E.W.; Smith, P.A. (2001) Regioselectivity of ring closure of the 2-azonia-2,2,5-trimethyl-5-hexenyl radical. Tetrahedron Letters 42(3): 481-483.
Della, E.W.; Smith, P.A. (2001) The role of the ester group in determining the regiochemistry of selected beta-amino and beta-ammonio radical cyclisations: generation of 1-azabicyclo 3.2.1 octyl- and - 2.2.2 octyl systems. Journal of the Chemical Society-Perkin Transactions 1(4): 445-451.
Sorich, M.J.; Smith, P.A.; McKinnon, R.A.; Miners, J.O. (2002) Pharmacophore and quantitative structure activity relationship modelling of UDP-glucuronosyltransferase 1A1 (UGT1A1) substrates. Pharmacogenetics 12(8): 635-645.
Sorich, M.J.; Miners, J.O.; McKinnon, R.A.; Winkler, D.A.; Burden, F.R.; Smith, P.A. (2003) Comparison of linear and nonlinear classification algorithms for the prediction of drug and chemical metabolism by human UDP-glucuronosyltransferase isoforms. Journal of Chemical Information and Computer Sciences 43(6): 2019-2024.
Smith, P.A.; Sorich, M.J.; McKinnon, R.A.; Miners, J.O. (2003) In silico insights: Chemical and structural characteristics associated with uridine diphosphate-glucuronosyltransferase substrate selectivity. Clinical and Experimental Pharmacology and Physiology 30(11): 836-840.
Sorich, M.J.; Smith, P.A.; Winkler, D.A.; Burden, F.R.; McKinnon, R.A.; Miners, J.O. (2003) In silico prediction of chemical metabolism by human UDP-glucuronosyltransferase isoforms: Evaluation of classification algorithms. Drug Metabolism Reviews 35: 167-167.
Smith, P.A.; Sorich, M.J.; McKinnon, R.A.; Miners, J.O. (2003) Pharmacophore and quantitative structure-activity relationship modeling: Complementary approaches for the rationalization and prediction of UDP-glucuronosyltransferase 1A4 substrate selectivity. Journal of Medicinal Chemistry 46(9): 1617-1626.
Sorich, M.J.; McKinnon, R.A.; Miners, J.O.; Winkler, D.A.; Smith, P.A. (2004) Rapid prediction of chemical metabolism by human UDP-glucuronosyltransferase isoforms using quantum chemical descriptors derived with the electronegativity equalization method. Journal of Medicinal Chemistry 47(21): 5311-5317.
Sorich, M.J.; Miners, J.O.; McKinnon, R.A.; Smith, P.A. (2004) Multiple pharmacophores for the investigation of human UDP-glucuronosyltransferase isoform substrate selectivity. Molecular Pharmacology 65(2): 301-308.
Smith, P.A.; Sorich, M.J.; Low, L.S.C.; McKinnon, R.A.; Miners, J.O. (2004) Towards integrated ADME prediction: past, present and future directions for modelling metabolism by UDP-glucuronosyltransferases. Journal of Molecular Graphics & Modelling 22(6): 507-517.
Miners, J.O.; Smith, P.A.; Sorich, M.J.; McKinnon, R.A.; Mackenzie, P.I. (2004) Predicting human drug glucuronidation parameters: Application of in vitro and in silico modeling approaches. Annual Review of Pharmacology and Toxicology 44: 1-25.
Herderich, M.J.; Smith, P.A. (2005) Analysis of grape and wine tannins: Methods, applications and challenges. Australian Journal of Grape and Wine Research 11(2): 205-214.
Lewinsky, R.H.; Smith, P.A.; Mackenzie, P.I. (2005) Glucuronidation of bioflavonoids by human UGT1A10: structure-function relationships. Xenobiotica 35(2): 117-129.
Sorich, M.J.; McKinnon, R.A.; Miners, J.O.; Smith, P.A. (2006) The importance of local chemical structure for chemical metabolism by human uridine 5 '-diphosphate - Glucuronosyltransferase. Journal of Chemical Information and Modeling 46(6): 2692-2697.
Sarneckis, C.J.; Dambergs, R.G.; Jones, P.; Mercurio, M.; Herderich, M.J.; Smith, P.A. (2006) Quantification of condensed tannins by precipitation with methyl cellulose: development and validation of an optimised tool for grape and wine analysis. Australian Journal of Grape and Wine Research 12(1): 39-49.
Mercurio, M.D.; Dambergs, R.G.; Herderich, M.J.; Smith, P.A. (2007) High throughput analysis of red wine and grape phenolics adaptation and validation of methyl cellulose precipitable tannin assay and modified somers color assay to a rapid 96 well plate format. Journal of Agricultural and Food Chemistry.
Parker, M.; Smith, P.A.; Birse, M.; Francis, I.L.; Kwiatkowski, M.J.; Lattey, K.A.; B., L.; Herderich, M.J. (2007) The effect of pre- and post-ferment additions of grape derived tannin on Shiraz wine sensory properties and phenolic composition. Australian Journal of Grape and Wine Research13(1): 30-37.
Sorich M.J.; Smith P.A.; Miners JO, Mackenzie P.I.; McKinnon R.A. Recent advances in UDP glucuronosyltransferase substrate in silico modelling. (2008) Current Drug Metabolism. 9 (1), 60-69
Jeffery, D.W., Mercurio, M.D., Herderich, M.J., Hayasaka, Y., Smith, P.A. (2008) Rapid Isolation of Red Wine Polymeric Polyphenols by Solid-Phase Extraction. Journal of Agricultural and Food Chemistry. 56: 2571 – 2580.
Jeffery, D.W., Parker, M., Smith, P.A. (2008) Flavonol composition of Australian red and white wines determined by high-performance liquid chromatography. Australian Journal of Grape and Wine Research. 14 (3), 153-161
Mercurio, M.D., Smith, P.A. (2008). Tannin quantification in red grapes and wine – Comparison of polysaccharide- and protein-based tannin precipitation techniques and their ability to model wine astringency. Journal of Agriculture and Food Chemistry. 56 (14), 5528-5537
Cozzolino, D., Cynkar, W. U., Dambergs, R. G., Mercurio, M. D. and Smith, P. A. (2008) Measurement of condensed tannins and dry matter in red grape homogenates using near infrared spectroscopy and partial least squares. J. Agric. Food Chem. 56, 7631-7636.
Cozzolino, D., Holdstock, M., Dambergs, R. G., Cynkar, W. U. and Smith, P. A. (2009) Mid-infrared spectroscopy and multivariate analysis: A tool to discriminate between organic and non-organic wines grown in Australia. Food Chemistry 116, 761-765.
Shah, N., Cynkar, W., Smith, P. and Cozzolino, D. (2010) Use of attenuated total reflectance mid-infrared for rapid and real-time analysis of compositional parameters in commercial white grape juice. Journal of Agricultural and Food Chemistry 58, 3279-3283.
Cynkar, W., Dambergs, R., Smith, P. and Cozzolino, D. (2010) Classification of Tempranillo wines according to geographic origin: Combination of mass spectrometry based electronic nose and chemometrics. Analytica Chimica Acta 660, 227-231.
Bindon, K. A., Smith, P. A. and Kennedy, J. A. (2010) Interaction between grape-derived proanthocyanidins and cell wall material. 1. Effect on proanthocyanidin composition and molecular mass. Journal of Agricultural and Food Chemistry 58, 2520-2528.
Guest editorships
Smith, P.A.; Sorich, M.J. (2006) Editorial - predicting drug metabolism in silico. Current Topics in Medicinal Chemistry 6(15): 1567-1568.
Non peer reviewed
Smith, P.A.; Herderich, M.J. (2004) The effects on red wine of pre- and post-ferment additions of grape-derived tannin. Tech. Rev. 152: 3-10.
Smith, P.A. (2005) Precipitation of tannin with methyl cellulose allows tannin quantification in grape and wine samples. Tech. Rev. 158: 3-7.
Smith, P.A.; Sarneckis, C.J.; Jones, P.; Dambergs, R.G.; Herderich, M.J., Eds. (2005). Development and application of a simple and robust assay for quantitation of tannins in grape and wine samples. Advances in Tannin and Tannin Management, Australian Society of Viticulture and Oenology:30-32
Smith, P.A.; Herderich, M.J.; Pretorius, I.S. (2005) Unravelling the mysteries of tannins – From tannin measurements in Australian vineyards to spit bucket chemistry. Australian and New Zealand Wine Industry Journal 20: 7-11.
Mercurio, M.D.; Smith, P.A. (2006) New formats for the methyl cellulose precipitable (MCP) tannin assay allow high throughput measurement of grape and wine tannin by industry. Tech. Rev. 164: 1-10.
Smith, P.A.; Mercurio, M.; Dambergs, R.G.; Francis, I.L.; Herderich, M.J. (2007) Red grape and wine quality; the roles and relevance of tannin. Australian and New Zealand Wine Industry Journal.
Kambouris, A.; Smith, P.A.; Dambergs, R.G. (2007) A preliminary survey of red grape total soluble solids, total anthocyanin, tannin and crop yield from Sunraysia vineyards. Aust. Grapegrower Winemaker, Ann. Technical Iss.
Smith, P.A.; Mercurio, M.; Dambergs, R.G.; Francis, I.L.; Herderich, M.J. (2007) Red grape and wine quality; the roles and relevance of tannin. Australian Viticulture.
Parker, M.; Mercurio, M.; Jeffery, D.; Holt, H.; Herderich, M.J.; Smith, P.A. (2007) An overview of the phenolic chemistry of white juice and wine production. Aust. Grapegrower Winemaker, Ann. Technical Iss.
Smith, P.A.; Mercurio, M. (2008) In pursuit of premium. Wine Business Magazine, April, 44-45.
Smith, P.A., Mercurio, M., Dambergs, R.G., Francis, I.L., Herderich, M.J. (2008) Are there relationships between tannin concentration and variety, quality and consumer preferences? Practical Winery and Vineyard. March/April, p 5- 13.
M.D. Mercurio, R.G. Dambergs, I.L. Francis, M.J. Herderich, P.A. Smith (2008) Tannin concentration: insights into varietal, regional and quality differences. Wine Active compounds conference proceedings.