Strength of molecular complexation of apolar solutes in water and in organic solvents is predictable by linear free energy relationships: a general model for solvation effects on apolar binding

David B. Smithrud; Francois Diederich

doi:10.1021/ja00157a052

Strength of molecular complexation of apolar solutes in water and in organic solvents is predictable by linear free energy relationships: a general model for solvation effects on apolar binding

Journal of the American Chemical Society ◽

10.1021/ja00157a052 ◽

1990 ◽

Vol 112 (1) ◽

pp. 339-343 ◽

Cited By ~ 154

Author(s):

David B. Smithrud ◽

Francois Diederich

Keyword(s):

Free Energy ◽

Organic Solvents ◽

General Model ◽

Linear Free Energy Relationships ◽

Solvation Effects ◽

Linear Free Energy ◽

Molecular Complexation ◽

Energy Relationships

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Abraham model linear free energy relationships as a means of extending solubility studies to include the estimation of solute solubilities in additional organic solvents

The Journal of Chemical Thermodynamics ◽

10.1016/j.jct.2016.07.028 ◽

2016 ◽

Vol 102 ◽

pp. 392-397 ◽

Cited By ~ 9

Author(s):

William E. Acree ◽

Melissa Y. Horton ◽

Elizabeth Higgins ◽

Michael H. Abraham

Keyword(s):

Free Energy ◽

Organic Solvents ◽

Linear Free Energy Relationships ◽

Abraham Model ◽

Linear Free Energy ◽

Energy Relationships ◽

Solubility Studies

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General Model for Estimating Partition Coefficients to Organisms and Their Tissues Using the Biological Compositions and Polyparameter Linear Free Energy Relationships

Environmental Science & Technology ◽

10.1021/es401772m ◽

2013 ◽

Vol 47 (12) ◽

pp. 6630-6639 ◽

Cited By ~ 66

Author(s):

Satoshi Endo ◽

Trevor N. Brown ◽

Kai-Uwe Goss

Keyword(s):

Free Energy ◽

General Model ◽

Partition Coefficients ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships

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Predicting the Gas/Particle Distribution of SVOCs in the Indoor Environment Using Poly Parameter Linear Free Energy Relationships

Environmental Science & Technology ◽

10.1021/acs.est.8b06585 ◽

2019 ◽

Vol 53 (5) ◽

pp. 2491-2499 ◽

Cited By ~ 15

Author(s):

Tunga Salthammer ◽

Kai-Uwe Goss

Keyword(s):

Free Energy ◽

Indoor Environment ◽

Particle Distribution ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships

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Contribution of Linear Free Energy Relationships to Isozyme- and pH-Dependent Substrate Selectivity of Glutathione S-Transferases: Comparison of Model Studies and Enzymatic Reactions

Journal of the American Chemical Society ◽

10.1021/ja980816o ◽

1998 ◽

Vol 120 (27) ◽

pp. 6651-6660 ◽

Cited By ~ 5

Author(s):

Brenda S. Nieslanik ◽

William M. Atkins

Keyword(s):

Free Energy ◽

Enzymatic Reactions ◽

Substrate Selectivity ◽

Linear Free Energy Relationships ◽

Model Studies ◽

Linear Free Energy ◽

Glutathione S Transferases ◽

Energy Relationships ◽

Ph Dependent

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Linear Free Energy Relationships in SNAr Reactions of Aryl and Diaryl N-Anions with Aryl Halides

Russian Journal of General Chemistry ◽

10.1023/b:rugc.0000031864.05199.b2 ◽

2004 ◽

Vol 74 (4) ◽

pp. 600-605 ◽

Cited By ~ 3

Author(s):

V. M. Vlasov ◽

I. A. Os'kina

Keyword(s):

Free Energy ◽

Aryl Halides ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships

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Linear free energy relationships in CN bond dissociations in molecular ions of 4-substitutedN-(2-furylmethyl)anilines in the gas phase

Journal of Mass Spectrometry ◽

10.1002/jms.1258 ◽

2007 ◽

Vol 42 (11) ◽

pp. 1496-1503 ◽

Cited By ~ 5

Author(s):

Eduardo A. Solano Espinoza ◽

Elena Stashenko ◽

Jairo Martínez ◽

Uriel Mora ◽

Vladimir Kouznetsov

Keyword(s):

Free Energy ◽

Gas Phase ◽

Molecular Ions ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships

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Linear Free Energy Relationships in the Intrinsic and GTPase Activating Protein-Stimulated Guanosine 5‘-Triphosphate Hydrolysis of p21ras†

Biochemistry ◽

10.1021/bi961118o ◽

1996 ◽

Vol 35 (45) ◽

pp. 14225-14231 ◽

Cited By ~ 53

Author(s):

T. Schweins ◽

M. Geyer ◽

H. R. Kalbitzer ◽

A. Wittinghofer ◽

A. Warshel

Keyword(s):

Free Energy ◽

Linear Free Energy Relationships ◽

Gtpase Activating Protein ◽

Linear Free Energy ◽

Energy Relationships ◽

Hydrolysis Of

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Determining Linear Free Energy Relationships in Peptide Fragmentation Using Derivatization and Targeted Mass Spectrometry

Analytical Chemistry ◽

10.1021/acs.analchem.7b02191 ◽

2018 ◽

Vol 90 (3) ◽

pp. 1587-1594 ◽

Cited By ~ 3

Author(s):

Yuanyuan Shen ◽

Reza Nemati ◽

Lei Wang ◽

Xudong Yao

Keyword(s):

Mass Spectrometry ◽

Free Energy ◽

Peptide Fragmentation ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships

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Linear Free Energy Relationships in Dinuclear Compounds. 2.†Inductive Redox Tuning via Remote Substituents in Quadruply Bonded Dimolybdenum Compounds

Inorganic Chemistry ◽

10.1021/ic960555o ◽

1996 ◽

Vol 35 (22) ◽

pp. 6422-6428 ◽

Cited By ~ 79

Author(s):

Chun Lin ◽

John D. Protasiewicz ◽

Eugene T. Smith ◽

Tong Ren

Keyword(s):

Free Energy ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Redox Tuning ◽

Energy Relationships ◽

Dinuclear Compounds

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Linear free energy relationships and the kinetics of ligand substitutions. Correlation of rate constants with overall stability constants of reactive intermediate species in the stepwise formation of tetracyanonickelate(II) from mono aminocarboxylatonickel (II) complexes

Transition Metal Chemistry ◽

10.1007/bf01396884 ◽

1980 ◽

Vol 5 (1) ◽

pp. 111-113 ◽

Cited By ~ 1

Author(s):

Krishan Kumar ◽

Prem C. Nigam

Keyword(s):

Free Energy ◽

Rate Constants ◽

Linear Free Energy Relationships ◽

Reactive Intermediate ◽

Intermediate Species ◽

Linear Free Energy ◽

Overall Stability ◽

Energy Relationships ◽

Kinetics Of ◽

Stepwise Formation

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