Abraham model correlations for solute transfer into cyclopentanone

References

• International council for harmonisation of technical requirements for pharmaceuticals for human use, impurities: guideline for residual solvents Q3C(R8), Current Step 4 version dated 22 April 2021. Accessed on May 8, 2022 at the following website: https://database.ich.org/sites/default/files/ICH_Q3C-R8_Guideline_Step4_2021_0422_1.pdf
   Google Scholar
• B’Hymer C. Residual solvent testing: a review of gas-chromatographic and alternative techniques. Pharm Res. 2003;20(3):337–344.
   PubMed Web of Science ®Google Scholar
• Siddiqui JF, Rizwana I. A review on recent developments in the determination of residual solvents by gas chromatography. Int J Pharm Sci Rev Res. 2019;59:67–75.
   Google Scholar
• Alder CM, Hayler JD, Henderson RK, et al. Updating and further expanding GSK’s solvent sustainability guide. Green Chem. 2016;18(13):3879–3890.
   Web of Science ®Google Scholar
• Henderson RK, Jimenez-Gonzalez C, Constable DJC, et al. Expanding GSK’s solvent selection guide - embedding sustainability into solvent selection starting at medicinal chemistry. Green Chem. 2011;13(4):854–862.
   Web of Science ®Google Scholar
• Amelio A, Genduso G, Vreysen S, et al. Van der Bruggen B. Guidelines based on life cycle assessment for solvent selection during the process design and evaluation of treatment alternatives. Green Chem. 2014;16(6):3045–3063.
   Web of Science ®Google Scholar
• Byrne FP, Jin S, Paggiola G, et al. Tools and techniques for solvent selection: green solvent selection guides. Sustain Chem Process. 2016;4(1):1–24.
   Google Scholar
• ACS GCI Pharmaceutical roundtable solvent selection guide version 2.0 Issued March 21, 2011, accessed on May 8, 2022 at the following website: https://www.acs.org/content/dam/acsorg/greenchemistry/industriainnovation/roundtable/acs-gci-pr-solvent-selection-guide.pdf
   Google Scholar
• Modarresi H, Conte E, Abildskov J, et al. Model-based calculation of solid solubility for solvent selection - A review. Ind Eng Chem Res. 2008;47(5234–5242):5234–5242.
   Web of Science ®Google Scholar
• Takebayashi Y, Sue K, Furuya T, et al. Solubilities of organic semiconductors and nonsteroidal anti-inflammatory drugs in pure and mixed organic solvents: measurement and modeling with Hansen solubility parameter. J Chem Eng Data. 2018;63(10):3889–3901.
   Web of Science ®Google Scholar
• Thimmasetty J, Subrahmanyam CVS, Sathesh Babu PR, et al. Solubility behavior of pimozide in polar and nonpolar solvents: partial solubility parameters approach. J Solute Chem. 2008;37(10):1365–1378
   Web of Science ®Google Scholar
• Maitra A, Bagchi S. Study of solute-solvent and solvent-solvent interactions in pure and mixed binary solvents. J Mol Liq. 2008;37(1–3):131–137.
   Web of Science ®Google Scholar
• He Q, Zhao H. Imidacloprid (I) in several aqueous co-solvent mixtures: solubility, solvent effect, solvation thermodynamics and enthalpy-entropy compensation. J Mol Liq. 2021;338:116781/1–116781/13.
   Web of Science ®Google Scholar
• Cong Y, Du C, Xing K, et al. Research on solubility modelling of actarit in different solvents: solvent effect, Hansen solubility parameter, molecular interactions and solution thermodynamics. J Mol Liq. 2022;347:117965/1–117965/13.
   Web of Science ®Google Scholar
• Matsuda H, Mori K, Tomioka M, et al. Determination and prediction of solubilities of active pharmaceutical ingredients in selected organic solvents. Fluid Phase Equilib. 2015;406:116–123.
   Web of Science ®Google Scholar
• Nouar A, Benmessaoud I, Koutchoukali O, et al. Solubility prediction of active pharmaceutical compounds with the UNIFAC model. Int J Thermophys. 2016;37(3):1–15.
   Web of Science ®Google Scholar
• Sheikholeslamzadeh E, Rohani S. Solubility prediction of pharmaceutical and chemical compounds in pure and mixed solvents using predictive models. Ind Eng Chem Res. 2012;51(1):464–473.
   Web of Science ®Google Scholar
• Klamt A, Eckert F, Hornig M, et al. Prediction of aqueous solubility of drugs and pesticides with COSMO-RS. J Comp Chem. 2002;23(2):275–281.
   PubMed Web of Science ®Google Scholar
• Klamt A, and Smith BJ. Challenge of drug solubility prediction. In: , Mannhold, R, et al., editors. Methods and principles in medicinal chemistry. Vol. 37 (Weinheim, Germany: Wiley-VCH Verlag GmhH & Co.). 2008. pp. 283–311.
   Google Scholar
• Alevizou EI, Voutsas EC. Evaluation of COSMO-RS model in binary and ternary mixtures of natural antioxidants, ionic liquids and organic solvents. Fluid Phase Equilib. 2014;369:55–67.
   Web of Science ®Google Scholar
• Tung -H-H, Tabora J, Variankaval N, et al. Prediction of pharmaceutical solubility via NRTL-SAC and COSMO-SAC. J Pharm Sci. 2008;97(5):1813–1820.
   PubMed Web of Science ®Google Scholar
• Shu -C-C, Lin S-T. Prediction of drug solubility in mixed solvent systems using the COSMO-SAC activity coefficient model. Ind Eng Chem Res. 2011;50(1):142–147.
   Web of Science ®Google Scholar
• Bouillot B, Teychene S, Biscans B. An evaluation of COSMO-SAC model and its evolutions for the prediction of drug-like molecule solubility: part 1. Ind Eng Chem Res. 2013;52(26):9276–9284.
   Web of Science ®Google Scholar
• Mazaher Haji Agha E, Barzegar-Jalali M, SN M, et al. Trained models for solubility prediction of drugs in acetonitrile + water mixtures at various temperatures. Phys Chem Liq. 2021;59(2):169–180.
   Web of Science ®Google Scholar
• Rahimpour E, Acree WE Jr, Jouyban A. Prediction of sulfonamides’ solubilities in the mixed solvents using solvation parameters. J Mol Liq. 2021;339:116269/1–116269/14.
   Web of Science ®Google Scholar
• Jouyban A, Rahimpour E, Karimzadeh Z. A new correlative model to simulate the solubility of drugs in mono-solvent systems at various temperatures. J Mol Liq. 2021;343:117587/1–117587/6.
   Web of Science ®Google Scholar
• Jouyban A. Review of the cosolvency models for predicting solubility of drugs in solvent mixtures; an update. J Pharm Pharm Sci. 2019;22:466–485.
   PubMed Web of Science ®Google Scholar
• Barzegar-Jalali M, Rahimpour E, Martinez F, et al. Generally trained models to predict drug solubility in methanol + water mixtures. J Mol Liq. 2018;264:631–644.
   Web of Science ®Google Scholar
• Patel SV, Patel S. Prediction of the solubility in lipidic solvent mixture: investigation of the modeling approach and thermodynamic analysis of solubility. Eur J Pharm Sci. 2015;77:161–169.
   PubMed Web of Science ®Google Scholar
• Raevsky OA, Polianczyk DE, Grigorev VY, et al. In silico prediction of aqueous solubility: a comparative study of local and global predictive models. Mol Inform. 2015;34(6–7):417–430.
   PubMed Web of Science ®Google Scholar
• Abraham MH. Scales of solute hydrogen-bonding: their construction and application to physicochemical and biochemical processes. Chem Soc Rev. 1993;22(2):73–83.
   Web of Science ®Google Scholar
• Abraham MH, Ibrahim A, Zissimos AM. Determination of sets of solute descriptors from chromatographic measurements. J Chromatogr A. 2004;1037(1–2):29–47.
   PubMed Web of Science ®Google Scholar
• Abraham MH, Smith RE, Luchtefeld R, et al. Prediction of solubility of drugs and other compounds in organic solvents. J Pharm Sci. 2010;99(3):1500–1515.
   PubMed Web of Science ®Google Scholar
• Hart E, Klein A, Barrera M, et al. Development of Abraham model correlations for describing the transfer of molecular solutes into propanenitrile and butanenitrile from water and from the gas phase. Phys Chem Liq. 2018;56(6):821–833.
   Web of Science ®Google Scholar
• Sedov IA, Stolov MA, Hart E, et al. Abraham model correlations for solute transfer into 2-ethoxyethanol from water and from the gas phase. J Mol Liq. 2015;208:63–70.
   Web of Science ®Google Scholar
• Brumfield M, Wadawadigi A, Kuprasertkul N, et al. Abraham model correlations for solute transfer into tributyl phosphate from both water and the gas phase. Phys Chem Liq. 2015;53(1):10–24.
   Web of Science ®Google Scholar
• Brumfield M, Acree WE Jr, Abraham MH. Abraham model correlations for describing solute transfer into diisopropyl ether. Phys Chem Liq. 2015;53(1):25–37.
   Web of Science ®Google Scholar
• Sedov IA, Khaibrakhmanova D, Hart E, et al. Development of Abraham model correlations for solute transfer into both 2-propoxyethanol and 2-isopropoxyethanol at 298.15 K. J Mol Liq. 2015;212:833–840.
   Web of Science ®Google Scholar
• Sedov IA, Stolov MA, Hart E, et al. Abraham model correlations for describing solute transfer into 2-butoxyethanol from both water and the gas phase at 298 K. J Mol Liq. 2015;209:196–202.
   Web of Science ®Google Scholar
• Tong X, Woods D, Acree WE Jr, et al. Updated Abraham model correlations for correlating solute transfer into dry butanone and dry cyclohexanone solvents. Phys Chem Liq. 2018;56(5):571–583.
   Web of Science ®Google Scholar
• Hart E, Grover D, Zettl H, et al. Abraham model correlations for solute transfer into 2-methoxyethanol from water and from the gas phase. J Mol Liq. 2015;209:738–744.
   Web of Science ®Google Scholar
• Sedov IA, Magsumov TI, Hart E, et al. Abraham model expressions for describing water-to-diethylene glycol and gas-to-diethylene glycol solute transfer processes at 298.15 K. J Solut Chem. 2017;46(2):331–351.
   Web of Science ®Google Scholar
• Stovall DM, Dai C, Zhang S, et al. Abraham model correlations for describing solute transfer into anhydrous 1,2-propylene glycol for neutral and ionic species. Phys Chem Liq. 2016;54(1):1–13.
   Web of Science ®Google Scholar
• Stovall DM, Schmidt A, Dai C, et al. Abraham model correlations for estimating solute transfer of neutral molecules into anhydrous acetic acid from water and from the gas phase. J Mol Liq. 2015;212:16–22.
   Web of Science ®Google Scholar
• Xu A, Varadharajan A, Shanmugam N, et al. Abraham model description of the solubilizing properties of the isopropyl acetate organic mono-solvent. Phys Chem Liq. 2022;60(2):312–324.
   Web of Science ®Google Scholar
• Kim K, Shanmugam N, Xu A, et al. Abraham model correlations for describing solute transfer into anisole based on measured activity coefficients and molar solubilities. Phys Chem Liq in press
   Web of Science ®Google Scholar
• Cai SK, Huang E, Kim K, et al. Development of Abraham model correlations for solute transfer into cyclopentanol from both water and the gas phase based on measured solubility ratios. Phys Chem Liq. 2022;60(2):287–296.
   Web of Science ®Google Scholar
• Sprunger LM, Achi SS, Pointer R, et al. Development of Abraham model correlations for solvation characteristics of linear alcohols. Fluid Phase Equilib. 2009;286(2):170–174.
   Web of Science ®Google Scholar
• Sprunger LM, Achi SS, Pointer R, et al. Development of Abraham model correlations for solvation characteristics of secondary and branched alcohols. Fluid Phase Equilib. 2010;288(1–2):121–127.
   Web of Science ®Google Scholar
• Qian E, Gupta A, Neal R, et al. Development of Abraham model correlations for describing solute transfer into 2-methyl-1-butanol from both water and the gas phase from experimental solubility data of crystalline organic compounds. Phys Chem Liq. 2020;58(5):623–635.
   Web of Science ®Google Scholar
• Liu K, Wang S, Hart E, et al. Development of Abraham model correlations for solute transfer into 2-ethyl-1-hexanol from both water and the gas phase based on measured solubility ratios. Phys Chem Liq. 2020;58(2):202–213.
   Web of Science ®Google Scholar
• Sedov IA, Salikov TM, Qian E, et al. Abraham model correlations for solute transfer into 2-methyl-2-butanol based on measured activity coefficient and solubility data at 298.15 K. J Mol Liq. 2019;293:111454/1–111454/10.
   Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr. Gas-solvent and water-solvent partition of trans-stilbene at 298 K. J Mol Liq. 2017;238:58–61.
   Web of Science ®Google Scholar
• Qian E, Gupta A, Neal R, et al. Abraham model correlations for describing solute transfer into 4-methyl-2-pentanol from both water and the gas phase. J Mol Liq. 2019;278:335–341.
   Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr. Equations for the partition of neutral molecules, ions and ionic species from water to water-methanol mixtures. J Solut Chem. 2016;45(6):861–874.
   Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr. Partition coefficients and solubilities of compounds in the water-ethanol solvent system. J Solut Chem. 2011;40(7):1279–1290.
   Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr. Equations for the partition of neutral molecules, ions and ionic species from water to water-ethanol mixtures. J Solut Chem. 2012;41(4):730–740.
   Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr, Rafols CL, et al. Equations for the correlation and prediction of partition coefficients of neutral molecules and ionic species in the water-isopropanol solvent system. J Solut Chem. 2021;50(4):458–472.
   Web of Science ®Google Scholar
• Jiang B, Horton MY, Acree WE Jr, et al. Ion-specific equation coefficient version of the Abraham model for ionic liquid solvents: determination of coefficients for tributylethylphosphonium, 1-butyl-1-methylmorpholinium, 1-allyl-3-methylimidazolium and octyltriethylammonium cations. Phys Chem Liq. 2017;55(3):358–385.
   Web of Science ®Google Scholar
• Mutelet F, Djebouri H, Baker GA, et al. Study of benzyl- or cyclohexyl-functionalized ionic liquids using inverse gas chromatography. J Mol Liq. 2017;242:550–559.
   Web of Science ®Google Scholar
• Mutelet F, Alonso D, Ravula S, et al. Infinite dilution activity coefficients of solutes dissolved in anhydrous alkyl(dimethyl)isopropylammonium bis(trifluoromethylsulfonyl)imide ionic liquids containing functionalized- and nonfunctionalized-alkyl chains. J Mol Liq. 2016;222:295–312.
   Web of Science ®Google Scholar
• Twu P, Anderson JL, Stovall DM, et al. Determination of the solubilising character of 2-methoxyethyl-(dimethyl)ethylammonium tris (pentafluoroethyl)trifluorophosphate based on the Abraham solvation parameter model. Phys Chem Liq. 2016;54(1):110–126.
   Web of Science ®Google Scholar
• Ayad A, Mutelet F, Negadi A, et al. Activity coefficients at infinite dilution for organic solutes dissolved in two 1-alkylquinuclidinium bis(trifluoromethylsulfonyl)imides bearing alkyl side chains of six and eight carbons. J Mol Liq. 2016;215:176–184.
   Web of Science ®Google Scholar
• Baelhadj AC, Mutelet F, Jiang B. Acree WE Jr: activity coefficients at infinite dilution for organic solutes dissolved in two 1,2,3-tris(diethylamino)cyclopenylium based room temperature ionic liquids. J Mol Liq. 2016;223:89–99.
   Web of Science ®Google Scholar
• Rabhi F, Mutelet F, Sifaoui H, et al. Characterization of the solubilizing ability of tetraalkylammonium ionic liquids containing a pendant alkyl chain bearing a basic N,N-dimethylamino or N,N-dimethylaminoethoxy functionality. J Mol Liq. 2019;283:380–390.
   Web of Science ®Google Scholar
• Mutelet F, Baker GA, Ravula S, et al. Infinite dilution activity coefficients and gas-to-liquid partition coefficients of organic solutes dissolved in 1- sec -butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and in 1- tert -butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide. Phys Chem Liq. 2019;57(4):453–472.
   Web of Science ®Google Scholar
• Mutelet F, Ravula S, Baker GA, et al. Infinite dilution activity coefficients and gas-to-liquid partition coefficients of organic solutes dissolved in 1-benzylpyridinium bis(trifluoromethylsulfonyl)imide and 1-cyclohexylmethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide. J Solut Chem. 2018;47(2):308–335.
   Web of Science ®Google Scholar
• Churchill B, Casillas T, Acree WE Jr, et al. Abraham solvation parameter model: calculation of ion-specific equation coefficients for the N-ethyl-N-methylmorpholinium and N-octyl-N-methylmorpholinium cations. Phys Chem Liq. 2021;59(4):557–584.
   Web of Science ®Google Scholar
• Duereh A, Guo H, Honma T, et al. Solvent polarity of cyclic ketone (cyclopentanone, cyclohexanone): alcohol (methanol, ethanol) renewable mixed-solvent systems for applications in pharmaceutical and chemical processing. Ind Eng Chem Res. 2018;57(22):7331–7344.
   Web of Science ®Google Scholar
• Duereh A, Sato Y, Smith RL, et al. Methodology for replacing dipolar aprotic solvents used in API processing with safe hydrogen-bond donor and acceptor solvent-pair mixtures. Org Proc Res Develop. 2017;21(1):114–124.
   Web of Science ®Google Scholar
• Matteoli E, Lepori L. Isothermal liquid-vapor equilibria of mixtures containing organic compounds. 2. excess Gibbs free energies of a hydrocarbon or tetrachloromethane + a cyclic ketone at 298.15 K. J Chem Eng Data. 1988;33(3):247–250.
   Web of Science ®Google Scholar
• Lepori L, Matteoli E, Bernazzani L, et al. Isothermal vapour/liquid equilibria of binary mixtures with dibutyl ether at 298.15 K. Phys Chem Chem Phys. 2000;2(21):4837–4842.
   Web of Science ®Google Scholar
• Gallardo MA, Lopez MC, and Urieta JS, et al. Solubility of helium, neon, argon, krypton, xenon, hydrogen, deuterium, nitrogen, oxygen, methane, ethene, ethane, carbon tetrafluoride, sulfur hexafluoride and carbon dioxide. Fluid Phase Equilib. 1989;50(1–2):223–233.
   Web of Science ®Google Scholar
• Wu K, Guan Y, Yang Z, et al. Solid–Liquid phase equilibrium of isophthalonitrile in 16 solvents from T = 273.15 to 324.75 K and mixing properties of solutions. J Chem Eng Data. 2021;66(12):4442–4452.
   Web of Science ®Google Scholar
• Li Y, Lu C, Chen R, et al. Determination, correlation, and thermodynamic analysis of the solid-liquid phase equilibrium of 1,4-dicyanobenzene in pure solvents at various temperatures. J Chem Eng Data. 2020;65:4991–5002.
   Web of Science ®Google Scholar
• Wu K, Li Y. Solubility and solution thermodynamics of isobutyramide in 15 pure solvents at temperatures from 273.15 to 324.75 K. J Mol Liq. 2020;311:113294/1–113294/17.
   Web of Science ®Google Scholar
• Li Y, Liu K, Meng L, et al. Measurement and correlation of solubility of methyl 1,2,4-triazole-3-carboxylate in 14 pure solvents from 278.15 to 318.15 K. J Chem Eng Data. 2022;67(5):1259–1266.
   Web of Science ®Google Scholar
• Li Y, Wu K, Liang L. Solubility determination, modeling, and thermodynamic dissolution properties of benzenesulfonamide in 16 neat solvents from 273.15 to 324.45 K. J Chem Eng Data. 2019;64(8):3606–3616.
   Web of Science ®Google Scholar
• Wu K, Li Y. Solid-liquid phase equilibrium and solution thermodynamics of 2-chlorobenzenesulfonamide in 16 mono solvents at temperature ranging from 273.15 K to 324.65 K. J Mol Liq. 2020;304:112795/1–112795/11.
   Web of Science ®Google Scholar
• Wu K, and Li Y. Solubility measurement and thermodynamic modeling for o -toluenesulfonamide in 16 solvents from T = 273.15 to 323.85 K. J Chem Eng Data. 2019;64(12):5238–5247.
   Web of Science ®Google Scholar
• Wu K, Li Y. Solubility and solution thermodynamics of p-toluenesulfonamide in 16 solvents from T = 273.15 to 324.75 K. J Mol Liq. 2019;293:111577/1–111577/10.
   Web of Science ®Google Scholar
• Wu K, Han R, Xu L, et al. Thermodynamic modelling for solubility of methyl 2-sulfamoylbenzoate in sixteen organic solvents from T (272.15-324.15 K) and dissolution properties. J Mol Liq. 2021;337:116618/1–116618/7.
   Web of Science ®Google Scholar
• Acree WE Jr. Solubility of anthracene in binary alcohol + methyl acetate solvent mixtures at 298.2 K. J Chem Eng Data. 2001;46(4):885–887.
   Web of Science ®Google Scholar
• Monarrez CI, Woo JH, Taylor PG, et al. Solubility in binary solvent mixtures: pyrene dissolved in alcohol + acetonitrile mixtures at 299.2 K. J Chem Eng Data. 2003;48(3):736–738.
   Web of Science ®Google Scholar
• NIST Chemistry webbook, NIST Standard reference database number 69. Accessed on May 12, 2022. DOI: https://doi.org/10.18434/T4D303.
   Google Scholar
• Daniels CR, Charlton AK, Wold RM, et al. Thermochemical behavior of dissolved carboxylic acid solutes: solubilities of 3-methylbenzoic acid and 4-chlorobenzoic acid in organic solvents. Can J Chem. 2003;81(12):1492–1502.
   Web of Science ®Google Scholar
• Hart E, Lee G, Qian E, et al. Determination of Abraham model solute descriptors for 4- tert -butylbenzoic acid from experimental solubility data in organic mono-solvents. Phys Chem Liq. 2019;57(4):445–452.
   Web of Science ®Google Scholar
• Hoover KR, Pop K, Acree WE Jr, et al. Solubility of crystalline nonelectrolyte solutes in organic solvents: mathematical correlation of 3-chlorobenzoic acid solubilities with the Abraham solvation parameter model. South Afr J Chem. 2005;58:25–29.
   Web of Science ®Google Scholar
• Charlton AK, Daniels CR, Wold RM, et al. Solubility of crystalline nonelectrolyte solutes in organic solvents: mathematical correlation of 3-nitrobenzoic acid solubilities with the Abraham general solvation model. J Mol Liq. 2005;116(1):19–28.
   Web of Science ®Google Scholar
• Abraham MH, Zissimos AM, and Acree WE Jr. Partition of solutes from the gas phase and from water to wet and dry di-n-butyl ether: a linear free energy relationship analysis. Phys Chem Chem Phys. 2001;3(17):3732–3736.
   Web of Science ®Google Scholar
• Acree WE Jr, Abraham MH. Solubility predictions for crystalline nonelectrolyte solutes dissolved in organic solvents based on the Abraham general solvation model. Can J Chem. 2001;79(10):1466–1476.
   Web of Science ®Google Scholar
• Acree WE Jr., Abraham MH. Solubility predictions for crystalline polycyclic aromatic hydrocarbons (PAHs) dissolved in organic solvents based on the Abraham general solvation model. Fluid Phase Equilib. 2002;201(2):245–258.
   Web of Science ®Google Scholar
• Coaxum R, Hoover KR, Pustejovsky E, et al. Thermochemical behavior of dissolved carboxylic acid solutes: part 3 - mathematical correlation of 2-methylbenzoic acid solubilities with the Abraham solvation parameter model. Phys Chem Liq. 2004;42(3):313–322.
   Web of Science ®Google Scholar
• Liu X, Acree WE Jr, Abraham MH. Descriptors for some compounds with pharmacological activity; calculation of properties. Int J Pharm. 2022;617:121597/1–121597/9.
   Web of Science ®Google Scholar
• Xu A, Acree WE Jr, Abraham MH. Abraham model solute descriptors: effect of structural features on the calculated numerical descriptor values for vanillin and select derivatives. Phys Chem Liq. 2022; 1–13. in press. 10.1080/00319104.2021.2025373
   Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr, Liu X. Descriptors for high-energy nitro compounds; estimation of thermodynamic, physicochemical and environmental properties. Propellants Explos Pyrotech. 2021;46(2):267–279.
   Web of Science ®Google Scholar
• Ulrich N, Endo S, Brown TN, et al. UFZ-LSER database v 3.2.1 [Internet], Leipzig, Germany, Helmholtz centre for environmental research-UFZ. 2017 [accessed on 17 November 2021]. Available from http://www.ufz.de/lserd
   Google Scholar
• Li J. Evaluation of blood simulating solvents in extractables and leachables testing for chemical characterization of medical devices based on Abraham general solvation model. J Mol Liq. 2022;345:116995/1–116995/7.
   Web of Science ®Google Scholar
• Liu X, Zhang K, Abraham MH. Linear free energy relationship analysis of permeability across polydimethylsiloxane (PDMS) membranes and comparison with human skin permeation in vitro. Eur J Pharm Sci. 2018;123:524–530.
   PubMed Web of Science ®Google Scholar
• He J, Abraham MH, Acree WE Jr, et al. A linear free energy analysis of PAMPA models for biological systems. Int J Pharm. 2015;496(2):717–722.
   PubMed Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr. Equations for water-triolein partition coefficients for neutral species: comparison with other water-solvent partitions, and environmental and toxicological processes. Chemosphere. 2016;154:48–54.
   PubMed Web of Science ®Google Scholar
• Stovall DM, Hart E, Kuprasertkul N, et al. Abraham model correlations describing the solubilizing ability of peanut oil. Phys Chem Liq. 2014;52(6):792–803.
   Web of Science ®Google Scholar