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Items: 1 to 20 of 81

1.

Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme.

Hille C, Ringe S, Deimel M, Kunkel C, Acree WE, Reuter K, Oberhofer H.

J Chem Phys. 2019 Jan 28;150(4):041710. doi: 10.1063/1.5050938.

PMID:
30709294
2.

Solubility Prediction of Drugs in Binary Solvent Mixtures at Various Temperatures Using a Minimum Number of Experimental Data Points.

Dadmand S, Kamari F, Acree WE Jr, Jouyban A.

AAPS PharmSciTech. 2018 Dec 17;20(1):10. doi: 10.1208/s12249-018-1244-4.

PMID:
30560304
3.

Smart systems for determination of drug's solubility.

Jouyban-Gharamaleki V, Jouyban A, Acree WE, Rahimpour E.

Drug Dev Ind Pharm. 2019 Feb;45(2):177-187. doi: 10.1080/03639045.2018.1529786. Epub 2018 Oct 17.

PMID:
30260712
5.

Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model.

Ma S, Hwang S, Lee S, Acree WE Jr, No KT.

J Chem Inf Model. 2018 Apr 23;58(4):761-772. doi: 10.1021/acs.jcim.7b00410. Epub 2018 Mar 30.

PMID:
29561152
6.

Partition of Neutral Molecules and Ions from Water to o-Nitrophenyl Octyl Ether and of Neutral Molecules from the Gas Phase to o-Nitrophenyl Octyl Ether.

Abraham MH, Acree WE Jr, Liu X.

J Solution Chem. 2018;47(2):293-307. doi: 10.1007/s10953-018-0717-0. Epub 2018 Feb 16.

8.

Descriptors for Pentane-2,4-dione and Its Derivatives.

Abraham MH, Acree WE Jr.

J Solution Chem. 2017;46(8):1625-1638. doi: 10.1007/s10953-017-0667-y. Epub 2017 Aug 19.

10.

Equations for water-triolein partition coefficients for neutral species; comparison with other water-solvent partitions, and environmental and toxicological processes.

Abraham MH, Acree WE Jr.

Chemosphere. 2016 Jul;154:48-54. doi: 10.1016/j.chemosphere.2016.03.086. Epub 2016 Mar 31.

PMID:
27038899
11.

Further comments on ''Solubility and thermodynamic behavior of vanillin in propane-1,2-diol+water cosolvent mixtures at different temperatures''.

Martínez F, Jouyban A, Acree WE Jr.

Food Chem. 2016 Apr 1;196:757-9. doi: 10.1016/j.foodchem.2015.10.017. Epub 2015 Oct 9. No abstract available.

PMID:
26593551
12.

A linear free energy analysis of PAMPA models for biological systems.

He J, Abraham MH, Acree WE Jr, Zhao YH.

Int J Pharm. 2015 Dec 30;496(2):717-22. doi: 10.1016/j.ijpharm.2015.10.064. Epub 2015 Oct 31.

PMID:
26529575
13.

Using water-solvent systems to estimate in vivo blood-tissue partition coefficients.

Derricott CE, Knight EA, Acree WE Jr, Lang AS.

Chem Cent J. 2015 Oct 16;9:58. doi: 10.1186/s13065-015-0134-z. eCollection 2015.

14.

Comments on "Solubility and thermodynamic behavior of vanillin in propane-1,2-diol+water cosolvent mixtures at different temperatures".

Jouyban A, Acree WE Jr.

Food Chem. 2016 Feb 1;192:1049-50. doi: 10.1016/j.foodchem.2015.07.120. Epub 2015 Jul 26. No abstract available.

PMID:
26304446
15.

Comparison of lipid membrane-water partitioning with various organic solvent-water partitions of neutral species and ionic species: Uniqueness of cerasome as a model for the stratum corneum in partition processes.

Zhang K, Fahr A, Abraham MH, Acree WE Jr, Tobin DJ, Liu X.

Int J Pharm. 2015 Oct 15;494(1):1-8. doi: 10.1016/j.ijpharm.2015.08.010. Epub 2015 Aug 6.

PMID:
26256152
16.

Descriptors for ions and ion-pairs for use in linear free energy relationships.

Abraham MH, Acree WE Jr.

J Chromatogr A. 2016 Jan 22;1430:2-14. doi: 10.1016/j.chroma.2015.07.023. Epub 2015 Jul 10. Review.

PMID:
26189671
17.

Predicting Abraham model solvent coefficients.

Bradley JC, Abraham MH, Acree WE Jr, Lang AS.

Chem Cent J. 2015 Mar 22;9:12. doi: 10.1186/s13065-015-0085-4. eCollection 2015.

18.

Determination of Abraham model solute descriptors for the monomeric and dimeric forms of trans-cinnamic acid using measured solubilities from the Open Notebook Science Challenge.

Bradley JC, Abraham MH, Acree WE Jr, Lang AS, Beck SN, Bulger DA, Clark EA, Condron LN, Costa ST, Curtin EM, Kurtu SB, Mangir MI, McBride MJ.

Chem Cent J. 2015 Mar 22;9:11. doi: 10.1186/s13065-015-0080-9. eCollection 2015.

19.

Comment on "structural determinants of drug partitioning in surrogates of phosphatidylcholine bilayer strata".

Acree WE Jr, Brumfield M, Abraham MH.

Mol Pharm. 2015 Apr 6;12(4):1328-9. doi: 10.1021/mp500382h. Epub 2015 Mar 27.

PMID:
25584416
20.

Reply to the comment on "A simple method for estimating in vitro air-tissue and in vivo blood-tissue partition coefficients".

Abraham MH, Acree WE Jr.

Chemosphere. 2015 Feb;120:797-8. doi: 10.1016/j.chemosphere.2014.10.048. Epub 2014 Nov 12. No abstract available.

PMID:
25466822

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