Price, Sarah (Sally) L - University College London

个人简介

BA(I) in Natural Sciences from Clare College, Cambridge 1977. PhD under the supervision of Dr A.J. Stone., University of Cambridge 1980. Postdoctoral Research Associate in Inorganic Chemistry, with Prof. J.K. Burdett at University of Chicago 1981. Postdoctoral research at Cambridge University Chemical Laboratory. Royal Society 1983 University Research Fellow, at Cambridge University 1985-1989 and University College London 1990. Lecturer 1990-6 Reader 1996-00 Currently Professor at University College London. Past Fellow 1981-9 and Director of Studies in Natural Sciences 1984-9 at Fitzwilliam College Cambridge Visiting Professor, Queen's University of Belfast 1989 1988-01 Zeneca Fellow Editorial Board for CrystEngComm and Crystal Growth and Design Royal Society of Chemistry 2005 Industrially Sponsored Award in Statistical Mechanics and Simulation

研究领域

Computational Chemistry

Sally Price's group is developing the accurate modelling of organic crystal structures, in order to predict which crystal structures of an organic molecule are thermodynamically feasible. These are contrasted with experimental searches for polymorphs in order to understand the factors which lead to polymorphism, in a multi-disciplinary project "Control and Prediction of the Organic Solid State".

近期论文

查看导师新发文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

Braun, D. E., McMahon, J. A., Koztecki, L. H., Price, S. L., Reutzel-Edens, S. M. (2014). Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape. CRYSTAL GROWTH & DESIGN 14(4), 2056-2072 doi:10.1021/cg500185h. Author URL Price, L. S., McMahon, J. A., Lingireddy, S. R., Lau, S. -. F., Diseroad, B. A., Price, S. L., Reutzel-Edens, S. M. (2014). A molecular picture of the problems in ensuring structural purity of tazofelone. JOURNAL OF MOLECULAR STRUCTURE 1078, 26-42 doi:10.1016/j.molstruc.2014.01.014. Author URL Price, S. L. (2014). CHEMISTRY Lattice energy, nailed? SCIENCE 345(6197), 619-620 doi:10.1126/science.1257250. Author URL Price, S. L. (2014). Predicting crystal structures of organic compounds. CHEMICAL SOCIETY REVIEWS 43(7), 2098-2111 doi:10.1039/c3cs60279f. Author URL Bhardwaj, R. M., Oswald, I. D. H., Johnston, B. F., Florence, A. J., Price, L. S., Price, S. L., Reutzel-Edens, S. M., Miller, G. J. (2013). Exploring the experimental and computed crystal energy landscape of olanzapine. Crystal Growth and Design 13(4), 1602-1617 doi:10.1021/cg301826s. Braun, D. E., Griesser, U. J., Tocher, D. A., Price, S. L., Bhardwaj, R. M., Florence, A. J., Arlin, J. -. B., Kahlenberg, V. (2013). Absorbing a little water: The structural, thermodynamic, and kinetic relationship between pyrogallol and its tetarto-hydrate. Crystal Growth and Design 13(9), 4071-4083 doi:10.1021/cg4009015. Braun, D. E., Tocher, D. A., Price, S. L., Bhardwaj, R. M., Florence, A. J. (2013). Complex polymorphic system of gallic acid - Five monohydrates, three anhydrates, and over 20 solvates. Crystal Growth and Design 13(1), 19-23 doi:10.1021/cg301506x. Ismail, S. Z., Anderton, C. L., Copley, R. C. B., Price, L. S., Price, S. L. (2013). Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening. CRYSTAL GROWTH & DESIGN 13(6), 2396-2406 doi:10.1021/cg400090r. Author URL Price, S. L. (2013). Why don't we find more polymorphs? ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE 69, 313-328 doi:10.1107/S2052519213018861. Author URL Braun, D. E., Tocher, D. A., Price, S. L., Griesser, U. J. (2012). The Complexity of Hydration of Phloroglucinol: A Comprehensive Structural and Thermodynamic Characterization. JOURNAL OF PHYSICAL CHEMISTRY B 116(13), 3961-3972 doi:10.1021/jp211948q. Author URL Issa, N., Barnett, S. A., Mohamed, S., Braun, D. E., Copley, R. C. B., Tocher, D. A., Price, S. L. (2012). Screening for cocrystals of succinic acid and 4-aminobenzoic acid. CRYSTENGCOMM 14(7), 2454-2464 doi:10.1039/c2ce06325e. Author URL Spencer, J., Patel, H., Deadman, J. J., Palmer, R. A., Male, L., Coles, S. J., Uzoh, O. G., Price, S. L. (2012). The unexpected but predictable tetrazole packing in flexible 1-benzyl-1H-tetrazole. CRYSTENGCOMM 14(20), 6441-6446 doi:10.1039/c2ce25940k. Author URL Uzoh, O. G., Cruz-Cabeza, A. J., Price, S. L. (2012). Is the Fenamate Group a Polymorphophore? Contrasting the Crystal Energy Landscapes of Fenamic and Tolfenamic Acids. CRYSTAL GROWTH & DESIGN 12(8), 4230-4239 doi:10.1021/cg3007348. Author URL Arlin, J. B., Price, L. S., Price, S. L., Florence, A. J. (2011). A strategy for producing predicted polymorphs: catemeric carbamazepine form V. CHEM COMMUN 47(25), 7074-7076 doi:10.1039/c1cc11634g. Bardwell, D. A., Adjiman, C. S., Arnautova, Y. A., Bartashevich, E., Boerrigter, S. X. M., Braun, D. E., Cruz-Cabeza, A. J., Day, G. M., Della Valle, R. G., Desiraju, G. R., van Eijck, B. P., Facelli, J. C., Ferraro, M. B., Grillo, D., Habgood, M., Hofmann, D. W. M., Hofmann, F., Jose, K. V. J., Karamertzanis, P. G., Kazantsev, A. V., Kendrick, J., Kuleshova, L. N., Leusen, F. J. J., Maleev, A. V., Misquitta, A. J., Mohamed, S., Needs, R. J., Neumann, M. A., Nikylov, D., Orendt, A. M., Pal, R., Pantelides, C. C., Pickard, C. J., Price, L. S., Price, S. L., Scheraga, H. A., van de Streek, J., Thakur, T. S., Tiwari, S., Venuti, E., Zhitkov, I. K. (2011). Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE 67, 535-551 doi:10.1107/S0108768111042868. Author URL Braun, D. E., Ardid-Candel, M., D'Oria, E., Karamertzanis, P. G., Arlin, J. -. B., Florence, A. J., Jones, A. G., Price, S. L. (2011). Racemic naproxen: A multidisciplinary structural and thermodynamic comparison with the enantiopure form. CRYSTAL GROWTH & DESIGN 11(12), 5659-5669 doi:10.1021/cg201203u. Author URL Braun, D. E., Karamertzanis, P. G., Arlin, J. B., Florence, A. J., Kahlenberg, V., Tocher, D. A., Griesser, U. J., Price, S. L. (2011). Solid-State Forms of beta-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be? CRYST GROWTH DES 11(1), 210-220 doi:10.1021/cg101162a. Braun, D. E., Karamertzanis, P. G., Price, S. L. (2011). Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids. CHEM COMMUN 47(19), 5443-5445 doi:10.1039/c1cc10762c. Habgood, M., Grau-Crespo, R., Price, S. L. (2011). Substitutional and orientational disorder in organic crystals: a symmetry-adapted ensemble model. PHYS CHEM CHEM PHYS 13(20), 9590-9600 doi:10.1039/c1cp20249a. Habgood, M., Price, S. L., Portalone, G., Irrera, S. (2011). Testing a Variety of Electronic-Structure-Based Methods for the Relative Energies of 5-Formyluracil Crystals. J CHEM THEORY COMPUT 7(9), 2685-2688 doi:10.1021/ct200354t.