Prof Michael Abraham - Publications

    2006

    • Abraham, M. H., Abraham, R. J., Byrne, J., Griffiths, L. (2006). NMR Method for the Determination of Solute Hydrogen Bond Acidity. Journal of Organic Chemistry 71, 3389-3394 doi:10.1021/jo052631n.
    • Abraham, M. H., Dearden, J. C., Bresnen, G. M. (2006). Hydrogen bonding, steric effects and thermodynamics of partitioning. Journal of Physical Organic Chemistry 19, 242-248 doi:10.1002/poc.1027.
    • Abraham, M. H., Ibrahim, A. (2006). Gas to Olive Oil Partition Coefficients:  A Linear Free Energy Analysis. Journal of Chemical Information and Modeling 46, 1735-1741 doi:10.1021/ci060047p.
    • Abraham, M. H., Ibrahim, A., Acree, J. W. E. (2006). Air to Muscle and Blood/Plasma to Muscle Distribution of Volatile Organic Compounds and Drugs:  Linear Free Energy Analyses. Chemical Research in Toxicology 19, 801-808 doi:10.1021/tx050337k.
    • Abraham, M. H., Ibrahim, A., Acree, J. W. E. (2006). Air to brain, blood to brain and plasma to brain distribution of volatile organic compounds: linear free energy analyses. European Journal of Medicinal Chemistry 41, 494-502 doi:10.1016/j.ejmech.2006.01.004.
    • Abraham, M. H., Ibrahim, A., Zhao, Y., Acree Jr, W. E. (2006). A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. Journal of Pharmaceutical Sciences 95(10), 2091-2100 doi:10.1002/jps.20595.
    • Cometto-Muniz, J. E., Cain, W. S., Abraham, M. H., Sanchez-Moreno, R. (2006). Chemical Boundaries for Detection of Eye Irritation in Humans from Homologous Vapors. Toxicological Sciences 91, 600-609 doi:10.1093/toxsci/kfj157.
    • Flanagan, K. B., Hoover, K. C., Acree, J. W. E., Abraham, M. H. (2006). Mathematical correlation of 1,2,4,5-tetramethylbenzene solubilities in organic solvents with the Abraham solvation parameter model. Physics and Chemistry of Liquids 44, 173-182 doi:10.1080/00319100500381441.
    • Flanagan, K. B., Hoover, K. C., Garza, O., Hizon, A., Soto, T., Villegas, N., Acree, J. W. E., Abraham, M. H. (2006). Mathematical correlation of 1-chloroanthraquinone solubilities in organic solvents with the Abraham solvation parameter model. Physics and Chemistry of Liquids 44, 377-386 doi:10.1080/00319100600805448.

    2005

    • Abraham, M. H. (2005). 100 years of chromatography—or is it 171? Journal of Chromatography A 1061, 113-114 doi:10.1016/j.chroma.2004.10.060.
    • Abraham, M. H., Acree, W. E. (2005). Characterisation of the water–isopropyl myristate system. International Journal of Pharmaceutics 294, 121-128 doi:10.1016/j.ijpharm.2005.01.028.
    • Abraham, M. H., Al-Hussaini, A. J. M. (2005). Solvation parameters for the 209 PCBs: calculation of physicochemical properties. Journal of Environmental Monitoring 7, 295-301 doi:10.1039/b415899g.
    • Abraham, M. H., Autenrieth, R., Dimitrriou-Christidis, P. (2005). The estimation of physicochemical properties of methyl and other alkyl naphthalenes. Journal of Environmental Monitoring 7, 445-449 doi:10.1039/b418293f.
    • Abraham, M. H., Ibrahim, A., Acree, W. E. (2005). Air to Blood Distribution of Volatile Organic Compounds:  A Linear Free Energy Analysis. Chemical Research in Toxicology 18, 904-911 doi:10.1021/tx050066d.
    • Abraham, M. H., Zhao, Y. H. (2005). Characterisation of the water/o-nitrophenyl octyl ether system in terms of the partition of nonelectrolytes and of ions. Physical Chemistry Chemical Physics 7, 2418-2422 doi:10.1039/b502058a.
    • Charlton, A. K., Daniels, C. R., Wold, R. M., Pustejovsky, E., Acree, W. E., Abraham, M. H. (2005). Solubility of crystalline nonelectrolyte solutes in organic solvents: mathematical correlation of 3-nitrobenzoic acid solubilities with the Abraham general solvation model. Journal of Molecular Liquids 116, 19-28 doi:10.1016/j.molliq.2004.06.001.
    • Cometto-Muniz, J. E., Cain, W. S., Abraham, M. H. (2005). Determinants for Nasal Trigeminal Detection of Volatile Organic Compounds. Chemical Senses 30, 627-642 doi:10.1093/chemse/bji056.
    • Cometto-Muniz, J. E., Cain, W. S., Abraham, M. H. (2005). Molecular restrictions for human eye irritation by chemical vapors. Toxicology and Applied Pharmacology 207, 232-243 doi:10.1016/j.taap.2005.02.004.
    • Flanagan, K. B., Acree, J. W. E., Abraham, M. H. (2005). Comments regarding “predicting the equilibrium partitioning of organic compounds using just one linear solvation energy relationship (LSER)”. Fluid Phase Equilibria 237, 224-226 doi:10.1016/j.fluid.2005.08.003.
    • Hoover, K. C., Acree, W. E., Abraham, M. H. (2005). Chemical Toxicity Correlations for Several Fish Species Based on the Abraham Solvation Parameter Model. Chemical Research in Toxicology 18, 1497-1505 doi:10.1021/tx050164z.
    • Hoover, K. R., Acree, W. E., Abraham, M. H. (2005). Correlation of the Solubility Behavior of Crystalline 1-Nitronapthalene in Organic Solvents With the Abraham Solvation Parameter Model. Journal of Solution Chemistry 34, 1121-1133 doi:10.1007/s10953-005-7691-2.
    • Hoover, K. R., Pop, K., Acree, W. E., Abraham, M. H. (2005). Solubility of crystalline nonelectrolyte solutes in organic solvents: mathematical correlation of 3-chlorobenzoic acid solubilities with the Abraham solvation parameter model. South African Journal of Chemistry 58, 25-29
    • Stovall, D. M., Acree, W. E., Abraham, M. H. (2005). Solubility of 9-fluorenone, thianthrene and xanthene in organic solvents. Fluid Phase Equilibria 232, 113-121 doi:10.1016/j.fluid.2005.02.016.
    • Stovall, D. M., Givens, C., Keown, S., Hoover, K. R., Rodriguez, E., Acree, W. E., Abraham, M. H. (2005). Solubility of crystalline nonelectrolyte solutes in organic solvents: Mathematical correlation of ibuprofen solubilities with the Abraham solvation parameter model. Physics and Chemistry of Liquids 43, 261-268 doi:10.1080/00319100500062546.
    • Stovall, D. M., Hoover, K. C., Acree, W. E., Abraham, M. H. (2005). SOLUBILITY BEHAVIOR OF CRYSTALLINE POLYCYCLIC AROMATIC HYDROCARBONS (PAHs): PREDICTION OF FLUORENE SOLUBILITIES IN ORGANIC SOLVENTS WITH THE ABRAHAM SOLVATION PARAMETER MODEL. Polycyclic Aromatic Compound 25, 313-326 doi:10.1080/10406630500227247.
    • Zhao, Y. H., Abraham, M. H. (2005). Octanol/Water Partition of Ionic Species, Including 544 Cations. Journal of Organic Chemistry 70, 2633-2640 doi:10.1021/jo048078b.

    2004

    • Abraham, M. H. (2004). Hydrogen bond and other descriptors for thalidomide and its N-alkyl analogs; prediction of physicochemical and biological properties. EUR J PHARM SCI 21, 465-469
    • Abraham, M. H. (2004). The factors that influence permeation across the blood–brain barrier. EUR J MED CHEM 39, 235-240
    • Abraham, M. H., Ibrahim, A., Zissimos, A. M. (2004). Determination of sets of solute descriptors from chromatographic measurements. J CHROMATOGR A 1037, 29-47
    • Abraham, M. H., Martins, F. (2004). Human skin permeation and partition; general Linear Free-Energy Relationship analyses. J PHARM SCI 93, 1508-1523
    • Abraham, M. H., Zhao, Y. (2004). Determination of Solvation Descriptors for Ionic Species:  Hydrogen Bond Acidity and Basicity. Journal of Organic Chemistry 69(14), 4677-4685 doi:10.1021/jo049766y.
    • Charlton, A. K., Daniels, C. R., Acree, W. E., Abraham, M. H. (2004). Solubility of crystalline nonelectrolyte solutes inorganic solvents: mathematical correlation of acetylsalicylic acid solubilities with the Abraham general solvation model. J SOLN CHEM 32, 1087-1102
    • Coaxum, R., Hoover, K. R., Pustejovsky, E., Stovall, D. W., Acree, W. E., Abraham, M. H. (2004). Thermochemical behavior of dissolved carboxylic acid solutes: part 3 - mathematical correlation of 2-methylbenzoic acid solubilities with the Abraham solvation parameter model. Physics and Chemistry of Liquids 42, 313-322
    • Cometto-Muniz, J. E., Cain, W. S., Abraham, M. H. (2004). Chemosensory additivity in trigeminal chemoreception as reflected by detection of mixtures. EXP BRAIN RES 158, 196-206
    • Cometto-Muniz, J. E., Cain, W. S., Abraham, M. H. (2004). Detection of single and mixed VOCs by smell and by sensory irritation. Indoor Air 14(Suppl. 8), 1-10
    • Daniels, C. R., Charlton, A. K., Acree, W. E., Abraham, M. H. (2004). Thermochemical behavior of dissolved carboxylic acid solutes: part 2 - mathematical correlation of ketoprofen solubilities with the Abraham general solvation model. Physics and Chemistry of Liquids 42, 305-312
    • Daniels, C. R., Charlton, A. K., Wold, R. M., Moreno, R. J., Acree, W. E., Abraham, M. H. (2004). Mathematical correlation of 4-aminobenzoic acid solubilities in organic solvents with the Abraham solvation parameter model. Physics and Chemistry of Liquids 42, 633-641
    • Daniels, C. R., Charlton, A. K., Wold, R. M., Pustejovsky, E., Furman, A. N., Bilbrey, A. C., Love, J. N., Garza, J. A., Acree, W. E., Abraham, M. H. (2004). Mathematical correlation of naproxen solubilities in organic solvents with the Abraham solvation parameter model. PHYS CHEM LIQUIDS 42, 481-491
    • Hoover, K. R., Coaxum, R., Pustejovsky, E., Acree, W. E., Abraham, M. H. (2004). Thermochemical behavior of dissolved carboxylic acid solutes: part 5 - mathematical correlation of 3,5-dinitrulbenzoic acid solubilities with the Abraham solvation parameter model. Physics and Chemistry of Liquids 42, 457-466
    • Hoover, K. R., Coaxum, R., Pustejovsky, E., Stovall, D. W., Acree, W. E., Abraham, M. H. (2004). Thermochemical behavior of dissolved carboxylic acid solutes: part 4 – mathematical correlation of 4-nitrobenzoic acid solubilities with the abraham solvation parameter model. Physics and Chemistry of Liquids 42, 339-347 doi:10.1080/0031910042000193151.
    • Hoover, K. R., Stovall, D. W., Pustejovsky, E., Coaxum, R., Pop, K., Acree, W. E., Abraham, M. H. (2004). Solubility of crystalline nonelectrolyte solutes in organic solvents — Mathematical correlation of 2-methoxybenzoic acid and 4-methoxybenzoic acid solubilities with the Abraham solvation parameter model. Canadian Journal of Chemistry 82, 1353-1360
    • Torres-Lapasio, J. R., Garcia-Alvarez-Coque, M. C., Roses, M., Bosch, E., Zissimos, A. M., Abraham, M. H. (2004). Analysis of a solute polarity parameter in reversed-phase liquid chromatography on a linear solvation energy basis. ANALYTICA CHIM ACTA 515, 209-227

    2003

    • Abraham, M. H. (2003). Can we identify models for intestinal absorption, blood-brain barrier distribution and intestinal absorption? EUROQSAR DESIGNING DRUGS AND CROP PROTECTANTS : PROCESSES, PROBLEMS AND SOLUTIONS ED M FORD , D LIVINGSTONE , J DEARDEN AND H VAN DE WATERBEEMD , BLACKWELL , OXFORD , 5-7
    • Abraham, M. H. (2003). Can we identify models for intestinal absorption, blood-brain barrier distribution and intestinal absorption? In Ford, M., Livingstone, D., Dearden, J., van de Waterbeemd, H. (Eds.). EuroQSAR Designing drugs and crop protectants: processes, problems and solutions ( pp.5-7). Oxford Blackwell.
    • Abraham, M. H. (2003). The determination of air/water partition coefficients for alkylcarboxylic acids by a new indirect method. Journal of Environmental Monitoring 5, 747-752
    • Abraham, M. H., Hassanisadi, M., Jalali-Heravi, M., Ghafourian, T., Cain, W. S., Cometto-Muniz, J. E. (2003). Draize rabbit eye test compatibility with eye irritation thresholds in humans; a quantitative structure-activity relationship analysis. Toxicological Sciences 76, 384-391
    • Abraham, M. H., Zissimos, A. M., Acree, W. E. (2003). Partition of solutes into wet and dry ethers; an LFER analysis. New Journal of Chemistry 27, 1041-1044
    • Abraham, M. H., Zissimos, A. M., Huddleston, J. G., Wilauer, H. D., Rodgers, R. D., Acree, W. E. (2003). Some Novel Liquid Partitioning Systems:  Water−Ionic Liquids and Aqueous Biphasic Systems. Industrial and Engineering Chemistry Research 42, 413-418
    • Blandamer, M. J., Abraham, M. H., -, (2003). A critique of a thermodynamic description of hydrophobic aggregation in aqueous solution. Thermochimica Acta 403, 219-222
    • Burg, P., Abraham, M. H., Cagniant, D. (2003). Methods of determining polar and non-polar sites on carbonaceous adsorbents. The contribution of the linear solvation energy relationship approach. Carbon 41, 867-879
    • Cometto-Muniz, J. E., Cain, W. S., Abraham, M. H. (2003). Dose-addition of individual odorants in the odor detection of binary mixtures. Behavioural Brain Research 138, 95-105
    • Cometto-Muniz, J. E., Cain, W. S., Abraham, M. H. (2003). Quantification of chemical vapors in chemosensory research. Chemical Senses 28, 467-477
    • Daniels, C. R., Charlton, A. K., Wold, R. M., Acree, W. E., Abraham, M. H. (2003). Thermochemical behaviour of dissolved carboxylic acid solutes: solubilities of 3-methybenzoic acid and 4-chlorobenzoic acid in organic solvents. Canadian Journal of Chemistry 81, 1492-1451
    • Enomoto, K., Clarke, E. D., Abraham, M. H. (2003). Linear solvation energy relationships: determination of Abraham solvation descriptors and their application to the prediction of physico-chemical properties of agrochemicals. In Ford, M., Livingstone, D., Dearden, J., van de Waterbeemd, H. (Eds.). EuroQSAR Designing.drugs and crop protectants: processes, problems and solutions ( pp.20-22). Oxford Blackwell.
    • Valko, K., Nunhock, S., Bevan, C., Abraham, M. H., Reynolds, D. P. (2003). Fast gradient HPLC method to determine compounds binding to human serum albumin. Relationships with octanol/water and immobilized artificial membrane lipophilicity. Journal of Pharmaceutical Sciences 92, 2236-2248
    • Zhao, Y. H., Abraham, M. H., Hersey, A., Luscombe, C. N. (2003). Quantitative relationship between rat intestinal absorption and Abraham descriptors. European Journal of Medicinal Chemistry 38, 939-947
    • Zhao, Y. H., Abraham, M. H., Le, J., Hersey, A., Luscombe, C. N., Beck, G., Sherborne, B., Cooper, I. (2003). Evaluation of rat intestinal absorption and correlation with human intestinal absorption. European Journal of Medicinal Chemistry 38, 233-243
    • Zhao, Y. H., Abraham, M. H., Zissimos, A. M. (2003). Determination of McGowan Volumes for Ions and Correlation with van der Waals Volumes. Journal of Chemical Information and Computer Sciences 43(6), 1848-1854 doi:10.1021/ci0341114.
    • Zhao, Y. H., Abraham, M. H., Zissimos, A. M. (2003). Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds. Journal of Organic Chemistry 68, 7368-7373
    • Zissimos, A. M., Abraham, M. H., Barker, M. C., Box, K. J., Tam, K. Y., Reynolds, D., Valko, K., Du, C. M., Bevan, C. (2003). Obtaining the Abraham descriptors, experimental methods and calculation. In Ford, M., Livingstone, D., Dearden, J., van de Waterbeemd, H. (Eds.). EuroQSAR Designing drugs and crop protectants: processes, problems and solutions ( pp.331-331). Oxford Blackwell.

    2002

    • Abraham, M. H., Al Hussaini, A. J. M. (2002). Solvation descriptors for N-nitrosodialkylamines; calculation of some of their properties of environmental significance. Journal of Environmental Monitoring 4(5), 743-746
    • Abraham, M. H., Amin, M., Zissimos, A. M. (2002). The lipophilicity of Sudan I and its tautomeric forms. Physical Chemistry Chemical Physics 4(23), 5748-5752
    • Abraham, M. H., Blandamer, M. J. (2002). Self-Assembly Does Not Account for the Hydrophobic Effect. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 124(26), 7853-7856
    • Abraham, M. H., Enomoto, K., Clarke, E. D., Sexton, G. (2002). Hydrogen Bond Basicity of the Chlorogroup; Hexachlorocyclohexanes as Strong Hydrogen Bond Bases. Journal of Organic Chemistry 67(14), 4782-4786
    • Abraham, M. H., Gola, J. M. R., Cometto-Muniz, J. E., Cain, W. S. (2002). A Model for Odour Thresholds. Chemical Senses 27(2), 95-104
    • Abraham, M. H., Ibrahim, A., Zissimos, A. M., Zhao, Y. H., Comer, J., Reynolds, D. P. (2002). Application of hydrogen bonding calculations in property based drug design. Drug Discovery Today 7(20), 1056-1063
    • Abraham, M. H., Zhao, Y. H., Le, J., Hersey, A., Luscombe, C. N., Reynolds, D. P., Beck, G., Sherborne, B., Cooper, I. (2002). On the mechanism of human intestinal absorption. European Journal of Medicinal Chemistry 37(7), 595-605
    • Acree, W. E., Abraham, M. H. (2002). Solubility of Crystalline Nonelectrolyte Solutes in Organic Solvents: Mathematical Correlation of Benzil Solubilities with the Abraham General Solvation Model. Journal of Solution Chemistry 31(4), 293-303
    • Acree, W. E., Abraham, M. H. (2002). Solubility predictions for crystalline polycyclic aromatic hydrocarbons (PAHs) dissolved in organic solvents based upon the Abraham general solvation model. Fluid Phase Equilibria 201(2), 245-258
    • Cometto-Mu iz, J. E., Cain, W. S., Abraham, M. H., Gola, J. M. R. (2002). Psychometric Functions for the Olfactory and Trigeminal Detectability of Butyl Acetate and Toluene. Journal of Applied Toxicology 22(1), 25-30
    • Cometto-Muniz, J. E., Cain, W. S., Abraham, M. H., Gola, J. M. R. (2002). . 9th International Conference on Indoor Air Quality and Climate, Monterey, California - Sensory detection of VOCs singly and in mixtures; odor and sensory irritation. ( Vol. 2 pp.237-242).
    • De Fina, K. M., Sharp, T. L., Chuca, I., Spurgin, M. A., Acree, W. E., Green, C. E., Abraham, M. H. (2002). Solubility of the Pesticide Monuron in Organic Nonelectrolyte Solvents. Comparison of Observed Versus Predicted Values Based upon Mobile Order Theory. Physics and Chemistry of Liquids 40(3), 255-268
    • Debord, J., Bollinger, J. C., Abraham, M. H., Merle, L., Dantoine, T. (2002). Inhibition of arylesterase by organic solvents: Structure-activity relationships. Internet Journal of Chemistry 5(4), art-4
    • Fuguet, E., R fols, C., Bosch, E., Abraham, M. H., Ros s, M. (2002). Solute-solvent interactions in micellar electrokinetic chromatography: III. Characterization of the selectivity of micellar electrokinetic chromatography systems. Journal of Chromatography A 942(1-2), 237-248
    • Mon rrez, C. I., Acree, W. E., Abraham, M. H. (2002). Prediction and Mathematical Correlation of the Solubility of Fluorene in Alcohol Solvents Based upon the Abraham General Solvation Model. Physics and Chemistry of Liquids 40(5), 581-591
    • Zhao, Y. H., Abraham, M. H., Le, J., Hersey, A., Luscombe, C. N., Beck, G., Sherborne, B., Cooper, I. (2002). Rate-Limited Steps of Human Oral Absorption and QSAR Studies. Pharmaceutical Research 19(10), 1446-1457
    • Zhao, Y. H., Le, J., Abraham, M. H., Hersey, A., Eddershaw, P. J., Luscombe, C. N., Butina, D., Beck, G., Sherborne, B., Cooper, I., Platts, J. A. (2002). Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with Abraham descriptors (vol 90, pg 749, 2001) Erratum. Journal of Pharmaceutical Sciences 91(2), 605-605
    • Zissimos, A. M., Abraham, M. H., Barker, M. C., Box, K. J., Tam, K. Y. (2002). Calculation of Abraham descriptors from solvent-water partition coeffcients in four different systems; evaluation of different methods of calculation. Journal of the Chemical Society, Perkin Transactions 2 (3), 470-477
    • Zissimos, A. M., Abraham, M. H., Du, C. M., Valko, K., Bevan, C., Reynolds, D., Wood, J., Tam, K. Y. (2002). Caluclation of Abraham descriptors from experimental data from 7 HPLC systems, evaluation of five different methods of calculation. Journal of the Chemical Society, Perkin Transactions 2 (12), 2001-2010
    • Zissimos, A. M., Abraham, M. H., Klamt, A., Eckert, F., Wood, J. (2002). A comparison between the two general sets of linear free energy descriptors of Abraham and Klamt. Journal of Chemical Information and Computer Sciences 42(6), 1320-1331

    2001

    • Abraham, M. H., Al Hussaini, A. J. M. (2001). Solvation descriptors for the polychloronaphthalenes: estimation of some phisicochemical properties. Journal of Environmental Monitoring 3, 377-381
    • Abraham, M. H., Gola, J. M. R., Cometto-Muniz, J. E., Cain, W. S. (2001). Solvation properties of refrigerants, and the estimation of their water–solvent and gas–solvent partitions. Fluid Phase Equilibria 180(1-2), 41-58
    • Abraham, M. H., Gola, J. M. R., Cometto-Muniz, J. E., Cain, W. S. (2001). The Correlation and Prediction of VOC Thresholds for Nasal Pungency, Eye Irritation and Odour in Humans. Indoor Built Environment 10, 252-257
    • Abraham, M. H., Le, J., Acree, W. E. J., Carr, P. W., Dallas, A. J. (2001). The solubility of gases and vapors in dry octan-1-ol at 298K. Computational Chemistry 44, 855-863
    • Abraham, M. H., Le, J., Acree, W. E. J., Carr, P. W., Dallas, A. J. (2001). The solubility of gases and vapours in dry octan-1-ol at 298 K. Chemosphere 44, 855-863
    • Abraham, M. H., Platts, J. A. (2001). Hydrogen Bond Structural Group Constants. Journal of Organic Chemistry 66(10), 3484-3491 doi:10.1021/jo001765s.
    • Acree, W. E., Abraham, M. H. (2001). Solubility predictions for crystalline nonelectrolyte solutes dissolved in organic solvents based upon the Abraham general solvation model. Canadian Journal of Chemistry-Revue Canadienne de Chimie 79(10), 1466-1476
    • Cometto-Muniz, J. E., Cain, W. S., Abraham, M. H., Gola, J. M. R. (2001). Ocular and nasal trigeminal detection of butyl acetate and toluene presented singly and in mixtures. Toxicological Sciences 63(2), 233-244
    • Du, C. M., Valko, K., Bevan, C., Reynolds, D., Abraham, M. H. (2001). RAPID METHOD FOR ESTIMATING OCTANOL-WATER PARTITION COEFFICIENT (LOG P ) FROM ISOCRATIC RP-HPLC AND A HYDROGEN BOND ACIDITY TERM (A). Journal of Liquid Chromatography and Related Technologies 24, 635-649
    • Fuguet, E., Rafols, C., Bosch, E., Roses, M., Abraham, M. H. (2001). Solute-solvent interactions in micellar electrokinetic chromatography. Selectivity of lithium dodecyl sulfate - lithium perfluorooctanesulfonate mixed-micellar buffers. Journal of Chromatography A 907, 257-265
    • Grate, J. W., Patrash, S. J., Kaganove, S. N., Abraham, M. H., Wise, B. M., Gallagher, N. B. (2001). Inverse Least-Squares Modeling of Vapor Descriptors Using Polymer-Coated Surface Acoustic Wave Sensor Array Responses. Analytical Chemistry 73(21), 5247-5259
    • Platts, J. A., Abraham, M. H., Zhao, Y. H., Hersey, A., Ijaz, L., Butina, D. (2001). Correlation and prediction of a large blood-brain distribution data set - an LFER study. European Journal of Medicinal Chemistry 36, 719-720
    • Valko, K., Du, C. M., Bevan, C., Reynolds, D. P., Abraham, M. H. (2001). Rapid Method for the Estimation of Octanol / Water Partition Coefficient (Log Poct) from Gradient RP-HPLC Retention and a Hydrogen Bond Acidity Term (Sigma alpha2H). Current Medicinal Chemistry 8(9), 1137-1146
    • Valko, K., Espinoza, S., Du, C. M., Bosch, E., Roses, M., Bevan, C., Abraham, M. H. (2001). Unique selectivity of perfluorinated stationary phases with 2,2,2-trifluoroethanol as organic mobile phase modifier. Journal of Chromatography A 933(1-2), 73-81
    • Zhao, Y. H., Le, J., Abraham, M. H., Hersey, A., Eddershaw, P. E., Luscombe, C. N., Butina, D., Beck, G., Sherbourne, B., Cooper, I., Platts, J. A. (2001). Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors. Journal of Pharmaceutical Sciences 90(6), 749-784 doi:10.1002/jps.1031.
    • Zhao, Y. H., Le, J., Abraham, M. H., Hersey, A., Eddershaw, P. E., Luscombe, C. N., Butina, D., Beck, G., Sherbourne, B., Cooper, I., Platts, J. A. (2001). Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors. Journal of Pharmaceutical Sciences 90, 3484-3491

    2000

    • Abraham, M. H., Ballantine, D. S., Callihan, B. K. (2000). Revised linear solvation energy relationship coefficients for the 77-phase McReynolds data set based on an updated set of solute descriptors. Journal of Chromatography A 878(1), 115-124
    • Abraham, M. H., Benjelloun-Dakhama, N., Gola, J. M. R., Acree, W. E., Cain, W. S., Cometto-Muniz, J. E. (2000). Solvation descriptors for ferrocene, and the estimation of some physicochemical and biochemical properties. New Journal of Chemistry 24(10), 825-829
    • Abraham, M. H., Du, C. M., Platts, J. A. (2000). Lipophilicity of the Nitrophenols. Journal of Organic Chemistry 65(21), 7114-7118
    • Abraham, M. H., Gola, J. M. R., Cometto-Muniz, J. E., Cain, W. S. (2000). The solvation properties of nitric oxide. Journal of the Chemical Society, Perkin Transactions 2 (10), 2067-2070
    • Abraham, M. H., Gola, J. M. R., Kumarsingh, R., Cometto-Muniz, J. E., Cain, W. S. (2000). Connection between chromatographic data and biological data. Journal of Chromatography B: Biomedical Sciences and Applications 745(1), 103-115
    • Abraham, M. H., Green, C. E., Acree, W. E. (2000). Correlation and prediction of the solubility of Buckminster- fullerene in organic solvents; estimation of some physicochemical properties. Journal of the Chemical Society, Perkin Transactions 2 (2), 281-286
    • Abraham, M. H., Platts, J. A. (2000). Physicochemical factors that influence brain uptake, in the blood-brain barrier and drug delivery to the CNS. In David, J. B., Michael, W. B., rg, K. (Eds.). The Blood-Brain Barrier and Drug Delivery to the CNS ( pp.9-32).
    • Burg, P., Fydrych, P., Abraham, M. H., Matt, M., Gruber, R. (2000). The characterization of an active carbon in terms of selectivity towards volatile organic compounds using an LSER approach. Fuel 79(9), 1041-1045
    • Cometto-Muniz, J. E., Cain, W. S., Hiraishi, T., Abraham, M. H., Gola, J. M. R. (2000). Comparison of two stimulus-delivery systems for measurement of nasal pungency thresholds. Chemical Senses 25(3), 285-291
    • De Fina, K. M., Sharp, T. L., Spurgin, M. A., Chuca, I., Acree, W. E., Green, C. E., Abraham, M. H. (2000). Solubility of the pesticide diuron in organic nonelectrolyte solvents. Comparison of observed vs. predicted values based upon Mobile Order theory. Canadian Journal of Chemistry-Revue Canadienne de Chimie 78(2), 184-190
    • Du, C. M., Valko, K., Bevan, C., Reynolds, D., Abraham, M. H. (2000). Characterizing the selectivity of stationary phases and organic modifiers in reversed-phase high-performance liquid chromatographic systems by a general solvation equation using gradient elution. Journal of Chromatographic Science 38(11), 503-511
    • Green, C. E., Abraham, M. H. (2000). Investigation into the effects of temperature and stirring rate on the solid-phase extraction of diuron from water using a C18 extraction disk. Journal of Chromatography A 885(1-2), 41-49
    • Green, C. E., Abraham, M. H., Acree, W. E., De Fina, K. M., Sharp, T. L. (2000). Solvation descriptors for pesticides from the solubility of solids: diuron as an example. Pest Management Science 56(12), 1043-1053
    • Lombardo, F., Shalaeva, M. Y., Tupper, K. A., Gao, F., Abraham, M. H. (2000). ElogP :  A Tool for Lipophilicity Determination in Drug Discovery. Journal of Medicinal Chemistry 43(15), 2922-2928
    • Platts, J. A., Abraham, M. H. (2000). Partition of volatile organic compounds from air and from water into plant cuticular matrix: An LFER analysis. Environmental Science and Technology 34(2), 318-323
    • Platts, J. A., Abraham, M. H., Butina, D., Hersey, A. (2000). Estimation of molecular linear free energy relationship descriptors by a group contribution approach. 2. Prediction of partition coefficients. Journal of Chemical Information and Computer Sciences 40(1), 71-80
    • Platts, J. A., Abraham, M. H., Hersey, A., Butina, D. (2000). Estimation of molecular linear free energy relationship descriptors. 4. Correlation and prediction of cell permeation. Pharmaceutical Research 17(8), 1013-1018
    • Valko, K., Du, C. M., Bevan, C. D., Reynolds, D. P., Abraham, M. H. (2000). Rapid-gradient HPLC method for measuring drug interactions with immobilized artificial membrane: Comparison with other lipophilicity measures. Journal of Pharmaceutical Sciences 89(8), 1085-1096

    1999

    • Abraham, M. H., Chadha, H. S., Martins, F., Mitchell, R. C., Bradbury, M. W., Gratton, J. A. (1999). Hydrogen bonding part 46: A review of the correlation and prediction of transport properties by an FLER method: physicochemical properties, brain penetration and skin permeability. Pesticide Science 55, 78-88
    • Abraham, M. H., Le, J. (1999). The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship. Journal of Pharmaceutical Sciences 88(9), 868-880
    • Abraham, M. H., Le, J., Acree, W. E. (1999). The solvation properties of the aliphatic alcohols. Collection of Czechoslovakian Chemical Communications 64, 1748-1760
    • Abraham, M. H., Le, J., Acree, W. E., Carr, P. W. (1999). Solubility of gases and vapours in propan-1-ol at 298 K. Journal of Physical Organic Chemistry 12, 675-680
    • Abraham, M. H., Martins, F., Mitchell, R. C., Salter, C. J. (1999). Hydrogen bonding. 47. Characterization of the ethylene glycol-heptane partition system: Hydrogen bond acidity and basicity of peptides. Journal of Pharmaceutical Sciences 88(2), 241-247
    • Abraham, M. H., Platts, J. A., Hersey, A., Leo, A. J., Taft, R. W. (1999). Correlation and estimation of gas-chloroform and water-chloroform partition coefficients by a linear free energy relationship method. Journal of Pharmaceutical Sciences 88(7), 670-679
    • Abraham, M. H., Poole, C. F., Poole, S. K. (1999). Classification of stationary phases and other materials by gas chromatography. Journal of Chromatography A 842, 79-114
    • Cometto-MuÏiz, J. E., Cain, W. S., Abraham, M. H., Gola, J. M. R. (1999). Chemosensory detectability of 1-butanol and 2-heptanone singly and in binary mixtures. Physiology & Behavior 67(2), 269-276
    • Oumada, F. Z., Ros's, M., Bosch, E., Abraham, M. H. (1999). Solute–solvent interactions in normal-phase liquid chromatography: a linear free-energy relationships study. Analytica Chimica Acta 382, 301-308
    • Plass, M., Kristl, A., Abraham, M. H. (1999). Spectroscopic investigation of the tautomeric equilibria in the guanine derivatives of acyclovir. Journal of the Chemical Society, Perkin Transactions 2 , 2641-2646
    • Platts, J. A., Butina, D., Abraham, M. H., Hersey, A. (1999). Estimation of molecular linear free energy relation descriptors using a group contribution approach. Journal of Chemical Information and Computer Sciences 39, 835-845
    • Rosðs, M., Rafels, C., Bosch, E., Mart-nez, A. M., Abraham, M. H. (1999). Solute-solvent interactions in micellar electrokinetic chromatography. Characterization of sodium dodecyl sulfate-Brij 35 micellar systems for quantitative structure-activity relationship modelling. Journal of Chromatography A 845, 217-226

    1998

    • Abraham, M. H., Berthelot, M., Laurence, C., Taylor, P. J. (1998). Analysis of hydrogen-bond complexation constants in 1,1,1-trichloroethane: The α β relationship. Journal of the Chemical Society, Perkin Transactions 2 , 187-191
    • Abraham, M. H., Bradbury, M. W., Gratton, J. A. (1998). The factors that influence transport through the blood brain barrier. Proceedings of the International Symposium on Controlled Release of Bioactive Materials 25, 130-131
    • Abraham, M. H., Kumarsingh, R., Cometto-MuÏiz, J. E., Cain, W. S. (1998). A quantitative structure-activity relationship (QSAR) for a Draize eye irritation data base. Toxicology in Vitro 12, 201-207
    • Abraham, M. H., Kumarsingh, R., Cometto-MuÏiz, J. E., Cain, W. S. (1998). An algorithm for nasal pungency thresholds in man. Archives of Toxicology 72, 227-232
    • Abraham, M. H., Kumarsingh, R., Cometto-MuÏiz, J. E., Cain, W. S. (1998). Draize Eye Scores and Eye Irritation Thresholds in Man Can Be Combined into One QSARa. Annals of the New York Academy of Sciences 855, 652-656
    • Abraham, M. H., Kumarsingh, R., Cometto-MuÏiz, J. E., Cain, W. S. (1998). Draize eye scores and eye irritation thresholds in man combined into one quantitative structure-activity relationship. Toxicology in Vitro 12, 403-408
    • Abraham, M. H., Kumarsingh, R., Cometto-MuÏiz, J. E., Cain, W. S., Ros's, M., Bosch, E., D az, M. L. (1998). The determination of solvation descriptors for terpenes, and the prediction of nasal pungency thresholds. Journal of the Chemical Society, Perkin Transactions 2 , 2405-2411
    • Abraham, M. H., Prior, D. V., Schulz, R. A., Morris, J. J., Taylor, P. J. (1998). Hydrogen bonding Part 44 1Thermodynamics of complexation of 3,5-dichlorophenol with ketones and ethers in cyclohexane: The badger-Bauer relationship. Journal of the Chemical Society, Faraday Transactions 94, 879-885
    • Abraham, M. H., Whiting, G. S., Carr, P. W., Ouyang, H. (1998). Hydrogen bonding. Part 45.† The solubility of gases and vapours in methanol at 298 K: an LFER analysis. Journal of the Chemical Society, Perkin Transactions 2 , 1385-1390
    • Abraham, M. H., Whiting, G. S., Shuely, W. J., Doherty, R. M. (1998). The solubility of gases and vapours in ethanol - the connection between gaseous solubility and water-solvent partition. Canadian Journal of Chemistry 76, 703-709
    • Alarie, Y., Nielsen, G. D., Abraham, M. H. (1998). A theoretical approach to the Ferguson Principle and its use with non-reactive and reactive airborne chemicals. Pharmacology & Toxicology 83, 270-279
    • Alarie, Y., Schaper, M., Nielsen, G. D., Abraham, M. H. (1998). Structure-activity relationships of volatile organic chemicals as sensory irritants. Archives of Toxicology 72, 125-140
    • Cometto-MuÏiz, J. E., Cain, W. S., Abraham, M. H. (1998). Nasal pungency and odor of homologous aldehydes and carboxylic acids. Experimental Brain Research 118, 180-188
    • Cometto-MuÏiz, J. E., Cain, W. S., Abraham, M. H., Kumarsingh, R. (1998). Sensory Properties of Selected Terpenes: Thresholds for Odor, Nasal Pungency, Nasal Localization, and Eye Irritationa. Annals of the New York Academy of Sciences 855, 648-651
    • Cometto-MuÏiz, J. E., Cain, W. S., Abraham, M. H., Kumarsingh, R. (1998). Trigeminal and Olfactory Chemosensory Impact of Selected Terpenes. Pharmacology Biochemistry and Behavior 60(3), 765-770
    • Debord, J., Dantoine, T., Bollinger, J. C., Abraham, M. H., Verneuil, B., Merle, L. (1998). Inhibition of arylesterase by aliphatic alcohols. Chemico-Biological Interactions 113, 105-115
    • Du, C. M., Valk, K., Bevan, C., Reynolds, D., Abraham, M. H. (1998). Rapid Gradient RP-HPLC Method for Lipophilicity Determination:  A Solvation Equation Based Comparison with Isocratic Methods. Analytical Chemistry 70(20), 4228-4234
    • Martin, S. D., Poole, C. F., Abraham, M. H. (1998). Synthesis and gas chromatographic evaluation of a high-temperature hydrogen-bond acid stationary phase. Journal of Chromatography A 805, 217-235
    • Plass, M., Valk, K., Abraham, M. H. (1998). Determination of solute descriptors of tripeptide derivatives based on high-throughput gradient high-performance liquid chromatography retention data. Journal of Chromatography A 803, 51-60
    • Poole, C. F., Poole, S. K., Abraham, M. H. (1998). Recommendations for the determination of selectivity in micellar electrokinetic chromatography. Journal of Chromatography A 798, 207-222
    • Selves, J. L., Abraham, M. H., Burg, P. (1998). A new method for the explanation of liquids properties in terms of molecular interactions. Fluid Phase Equilibria 148, 69-82
    • Valk,, K,, Plass,, M,, Bevan,, C,, Reynolds,, D,, Abraham,, M, H. (1998). Relationships between the chromatographic hydrophobicity indices and solute descriptors obtained by using several reversed-phase, diol, nitrile, cyclodextrin and immobilised artificial membrane-bonded high-performance liquid chromatography columns. Journal of Chromatography A 797, 41-55

    1997

    • Abraham, M. H. (1997). Characterization of Some GLC Chiral Stationary Phases:  LFER Analysis. ANAL CHEM 69(4), 613-617
    • Abraham, M. H., Chadha, H. S., Dixon, J. P., Rafols, C., Treiner, C. (1997). Hydrogen bonding. Part 41. Factors that influence the distribution of solutes between water and hexadecylpyridinium chloride micelles. J CHEM SOC PERKIN II , 19-24
    • Abraham, M. H., Chadha, H. S., Leitao, R. A. E., Mitchell, R. C., Lambert, W. J., Kaliszan, R., Nasal, A., Haber, P. (1997). Determination of solute lipophilicity, as log P(octanol) and log P(alkane) using poly(styrene–divinylbenzene) and immobilised artificial membrane stationary phases in reversed-phase high-performance liquid chromatography. J CHROMATOGR A 766, 35-47
    • Abraham, M. H., Chadha, H. S., Martins, F., Mitchell, R. C., Gratton, J. A., Bradbury, M. W. (1997). A general equation for the correlation of transport properties of drugs and other compounds. FARM VESTN 48, 236-237
    • Abraham, M. H., Martins, F., Mitchell, R. C. (1997). Algorithms for skin permeability using hydrogen bond descriptors: the problem of steroids (Hydrogen bonding, Part 43). Journal of Pharmacy and Pharmacology 49, 858-865
    • Abraham, M. H., Ros s, M., Poole, C. F., Poole, S. K. (1997). HYDROGEN BONDING. 42. CHARACTERIZATION OF REVERSED-PHASE HIGH-PERFORMANCE LIQUID CHROMATOGRAPHIC C18 STATIONARY PHASES. J PHYS ORG CHEM 10, 358-368
    • Abraham, M. H., Tak cs-Nov k, K., Mitchell, R. C. (1997). On the partition of ampholytes: application to blood-brain distribution. J PHARM SCI 86(3), 310-315
    • Cativiela, C., Garc a, J. I., Gil, J., Mart nez, R. M., Mayoral, J. A., Salvatella, L., Urieta, J. S., Mainar, A. M., Abraham, M. H. (1997). Solvent effects on Diels-Alder reactions. The use of aqueous mixtures of fluorinated alcohols and the study of reactions of acrylonitrile. J CHEM SOC PERKIN II , 653-660
    • Grate, J. W., Abraham, M. H., McGill, R. A. (1997). Sorbent polymer materials for chemical sensors and arrays. In Kress-Rogers, E. (Ed.). Handbook of Biosensors and Electronic Noses: Medicine, Food and the Environment ( pp.593-612). Boca Raton, Florida CRC Press.
    • Gratton, J. A., Abraham, M. H., Bradbury, M. W., Chadha, H. S. (1997). Molecular Factors Influencing Drug Transfer across the Blood-Brain Barrier. Journal of Pharmacy and Pharmacology 49, 1211-1216
    • Pagliara, A., Caron, G., Lisa, G., Fan, W., Gaillard, P., Carrupt, P. A., Testa, B., Abraham, M. H. (1997). Solvatochromic analysis of di-n-butyl ether/water partition coefficients as compared to other solvent systems. J CHEM SOC PERKIN II , 2639-2643