Dr. Simona Funar-Timofei
Senior ScientistInstitute of Chemistry Timisoara of the Romanian Academy, Romania
Highest Degree
Ph.D. in Theoretical Chemistry from The West University of Timisoara, Romania
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Institute of Chemistry Timisoara of the Romanian Academy, Romania
Biography
Dr. Simona Funar-Timofei is currently working as Senior Researcher in the Department of Computational Chemistry at Institute of Chemistry Timisoara of the Romanian Academy, Romania. She has completed her Ph.D. in Theoretical Chemistry from The West University of Timisoara, Romania. Previously she was appointed as Chemical Engineer at Chemical Fertilizer Enterprize, Arad, Romania, Azur Dye and Lacquer Enterprize of Timisoara, Romania, Postdoctoral Fellow at ETH-Zentrum, Laboratorium fur Technische Chemie, Zurich, Switzerland, UFZ-Centre for Environmental Research, Leipzig, Germany, and Karl-Franzens University Graz, Institute of Organic Chemistry, Graz, Austria, and JSPS postdoctoral fellowship at Tokyo Institute of Technology, Research Laboratory of Resources Utilization. She has published 49 research articles in journals as well as 4 patents as author/co-author.
Area of Interest:
Chemistry
100%
Quantitative Structure-Activity
62%
Quantitative Structure-Toxicity
90%
Thermodynamics
75%
Organic Phosphorous Compounds
55%
Research Publications in Numbers
Books
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Chapters
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Articles
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Abstracts
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Selected Publications
- Funar-Timofei, S., S. Iliescu and T. Suzuki, 2014. Correlations of limiting oxygen index with structural polyphosphoester features by QSPR approaches. Struct. Chem., 25: 1847-1863.
CrossRef | Direct Link | - Chicu, S.A., M. Munteanu, I. Citu, C. Soica and C. Dehelean et al., 2014. The Hydractinia echinata test-system. III: Structure-toxicity relationship study of some azo-, azo-anilide and diazonium salt derivatives. Molecules, 19: 9798-9817.
CrossRef | Direct Link | - Avram, S., S. Funar-Timofei, A. Borota, S.R. Chennamaneni and A.K. Manchala et al., 2014. Quantitative estimation of pesticide-likeness for agrochemical discovery. J. Cheminform., Vol. 6. 10.1186/s13321-014-0042-6.
CrossRef | Direct Link | - Ivan, D., S. Funar-Timofei, M. Medeleanu, M. Mracec and M. Mracec, 2013. Formation enthalpy for conformers of (3S,5S,6S)-6-acetylamidopenicillanic acid calculated by the PM6 and PM7 semiempirical mo methods. Revue Roumaine Chimie, 58: 463-472.
Direct Link | - Ivan, D., L. Crisan, S. Funar-Timofei and M. Mracec, 2013. A quantitative structure-activity relationships study for the anti-HIV-1 activities of 1-[(2-hydroxyethoxy) methyl]-6-(phenylthio) thymine derivatives using the multiple linear regression and partial least squares methodologies. J. Serb. Chem. Soc., 78: 495-506.
Direct Link | - Goodarzi, M., Y. Vander Heyden and S. Funar-Timofei, 2013. Towards better understanding of feature-selection or reduction techniques for quantitative structure-activity relationship models. TrAC Trends Anal. Chem., 42: 49-63.
CrossRef | Direct Link | - Goodarzi, M., A. Bora, A. Borota, S. Funar-Timofei, S. Avram and Y. Vander Heyden, 2013. Modeling of 2-pyridin-3-yl-benzo[d][1,3]oxazin-4-one derivatives by several conformational searching tools and molecular docking. Curr. Pharmaceut. Des., 19: 2194-2203.
Direct Link | - Funar-Timofei, S., W.M. Fabian, L. Kurunczi, M. Goodarzi, S.T. Ali and Y. Vander Heyden, 2012. Modelling heterocyclic azo dye affinities for cellulose fibres by computational approaches. Dyes Pigments, 94: 278-289.
CrossRef | Direct Link | - Chicu, S.A., S. Funar-Timofei and G.M. Simu, 2011. Hydractinia echinata test system. II. SAR toxicity study of some anilide derivatives of Naphthol-AS type. Chemosphere, 82: 1578-1582.
CrossRef | Direct Link | - Ionescu, D., C. Dehelean, S. Funar-Timofei, S. Dragan and E. Galca, 2010. Efficacy and tolerability of risperidone in the treatment of depressive disorders. Farmacia, 58: 494-501.
Direct Link | - Iliescu, S., I. Grozav, S. Funar-Timofei, N. Plesu, A. Popa and G. Ilia, 2010. Optimization of synthesis parameters in interfacial polycondensation using design of experiments. Polym. Bull., 64: 303-314.
CrossRef | Direct Link | - Funar-Timofei, S., D. Ionescu and T. Suzuki, 2010. A tentative quantitative structure-toxicity relationship study of benzodiazepine drugs. Toxicol. In vitro, 24: 184-200.
CrossRef | Direct Link | - Funar-Timofei, S. and S. Iliescu, 2008. QSPR study of phosphoric polyester glass transition temperature by PLS. MATCH-Commun. Math. Comput. Chem., 60: 997-1005.
Direct Link | - Funar-Timofei, S. and G. Ilia, 2008. Simulation of grafting reaction of benzyl phosphonic acid on titanium oxide by the semiempirical PM6 approach. J. Optoelectron. Adv. Mater., 10: 2649-2652.
Direct Link | - Kurunczi, L., S. Funar-Timofei, A. Bora and E. Seclaman, 2007. Application of the MTD-PLS method to heterocyclic dye-cellulose interactions. Int. J. Quantum Chem., 107: 2057-2065.
CrossRef | Direct Link | - Funar-Timofei, S. and G. Ilia, 2007. Theoretical study of organic-inorganic hybrids obtained by grafting reaction of vinyl phosphonic acid on titanium oxide. J. Optoelectron. Adv. Mater., 9: 3933-3938.
Direct Link | - Bora, A., E. Seclaman, L. Kurunczi and S. Funar-Timofei, 2007. A preliminary MTD-PLS study for androgen receptor binding of steroid compounds. Int. J. Quantum Chem., 107: 1707-1713.
CrossRef | Direct Link | - Funar-Timofei, S., W.M. Fabian, G.M. Simu and T. Suzukic, 2006. Quantitative Structure-Retention Relationships (QSRR) for chromatographic separation of disazo and trisazo 4,4'-diaminobenzanilide-based dyes. Croatica Chemica Acta, 79: 227-236.
Direct Link | - Chwiac, A., D. Ciubotariu, S. Funar-Timofei, L. Kurunczi and M. Mracec et al., 2006. QSAR and 3D-QSAR in Timisoara. 1972-2005. Revue Roumaine Chimie, 51: 79-99.
Direct Link | - Funar-Timofei, S., L. Kurunczi and S. Iliescu, 2005. Structure-property study of some phosphorus-containing polymers by computational methods. Polym. Bull., 54: 443-449.
CrossRef | Direct Link | - Simu, G., S. Funar-Timofei, S. Hora and L. Kurunczi, 2004. Experimental and theoretical study of the adsorption of a trisazo direct dye derived from 4,4'-diaminobenzanilide on a cellulose substrate. Mol. Cryst. Liquid Cryst., 416: 97-104.
CrossRef | Direct Link | - Simu, G., S. Funar-Timofei, L. Kurunczi, S. Hora, W. Schmidt and M. Grad, 2004. Synthesis and study of adsorption isotherms of a tris-azo direct dye on cotton fibres. Cellulose Chem. Technol., 38: 409-416.
- Simu, G., S. Funar-Timofei, L. Kurunczi and W. Schmidt, 2004. A thermodynamic study of the sorption of an asymmetric disazo direct dye on mercerized cotton. Revue Roumaine Chimie, 49: 345-349.
- Simu, G.M., S. Funar-Timofei and E. Sarandan, 2003. Experimental and theoretical studies on the lipophilic character of some direct azo dyes. Revista Chimie, 54: 603-607.
- Schuurmann, G. and S. Funar-Timofei, 2003. Multilinear regression and Comparative Molecular Field Analysis (CoMFA) of azo dye-fiber affinities. 2. Inclusion of solution-phase molecular orbital descriptors. J. Chem. Inform. Comput. Sci., 43: 1502-1512.
CrossRef | Direct Link | - Funar-Timofei, S., T. Suzuki, J.A. Paier, A. Steinreiber, K. Faber and W.M. Fabian, 2003. Quantitative structure-activity relationships for the enantioselectivity of oxirane ring-opening catalyzed by epoxide hydrolases. J. Chem. Inform. Comput. Sci., 43: 934-940.
CrossRef | Direct Link | - Funar-Timofei, S., E. Sarandan, A. Sallo, F. Elenes and E. Crasmareanu, 2003. Experimental and theoretical study of chromatographic mobilities of a series of arylamides of ortho hydroxy-arylcarboxylic acids by RP-TLC and computational methods. Revista Chimie, 54: 802-806.
- Timofei, S., L. Kurunczi, W. Schmidt and Z. Simon, 2002. Steric and electrostatic effects in dye-cellulose interactions by the MTD and CoMFA approaches. SAR QSAR Environ. Res., 13: 219-226.
CrossRef | Direct Link | - Simu, G.M., S.L. Funar-Timofei, S.G. Hora, W.E. Schmidt, L. Kurunczi, E.N.V. Sisu and N. Morin, 2002. Direct dyes derivatives of 4,4'-diaminobenzanilide. I-The synthesis and study of adsorption isotherms on cotton of a direct disazoic dye with asymmetrical structure. Revista Chimie, 53: 826-829.
- Seclaman, E., A. Sallo, F. Elenes, C. Crasmareanu, C. Wikete, S. Timofei and Z. Simon, 2002. Hydrophobicity, protolytic equilibrium and chromatographic behaviour of some monoazoic dyes. Dyes Pigments, 55: 69-77.
CrossRef | Direct Link | - Kurunczi, L., S. Timofei and S. Iliescu, 2002. Structure of the polymer obtained from bisphenol-A and Cl2P(O)CH3. Phosphorus Sulfur Silicon Relat. Elem., 177: 1713-1716.
CrossRef | Direct Link | - Funar-Timofei, S. and G. Schuurmann, 2002. Comparative Molecular Field Analysis (CoMFA) of anionic azo dye-fiber affinities I: Gas-phase molecular orbital descriptors. J. Chem. Inform. Comput. Sci., 42: 788-795.
CrossRef | Direct Link | - Timofei, S., L. Kurunczi and Z. Simon, 2001. Structure-affinity relationships by the MTD method for binding to cellulose fibre of some heterocyclic monoazo dyes. MATCH-Commun. Math. Comput. Chem., 44: 349-360.
Direct Link | - Suzuki, T., S. Timofei, L. Kurunczi, U. Dietze and G. Schuurmann, 2001. Correlation of aerobic biodegradability of sulfonated azo dyes with the chemical structure. Chemosphere, 45: 1-9.
CrossRef | PubMed | Direct Link | - Suzuki, T., S. Timofei, B.E. Iuoras, G. Uray, P. Verdino and W.M. Fabian, 2001. Quantitative structure-enantioselective retention relationships for chromatographic separation of arylalkylcarbinols on Pirkle type chiral stationary phases. J. Chromatogr. A, 922: 13-23.
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