Journal ArticleDOI
Scales of solute hydrogen-bonding: their construction and application to physicochemical and biochemical processes
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This article is published in Chemical Society Reviews.The article was published on 1993-01-01. It has received 1896 citations till now. The article focuses on the topics: Solvation & High-performance liquid chromatography.read more
Citations
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Prediction of Physicochemical Properties of Energetic Materials
TL;DR: In this paper, the chemical structures of six energetic materials are used to estimate their physicochemical parameters, and the ability to predict these important properties using the structure of the energetic material will provide a means for assessing their environmental impact during the preliminary development stage.
Journal ArticleDOI
Quantification of non-covalent interactions on the basis of the thermodynamic hydrogen bond parameters
TL;DR: In this paper, empirical free energy and/or enthalpy values for hydrogen binding strength are derived from thousands of corresponding measurements between H-bond donors and acceptors, mostly in carbon tetrachloride, and how they can be used to construct common scales or factor values (increments) also for other reactions involving electron donor and acceptor ability of functions.
Journal ArticleDOI
Quantitative structure-retention relationships with model analytes as a means of an objective evaluation of chromatographic columns.
TL;DR: The QSRR models (previously derived retrospectively) are demonstrated to work well on new sets of RP-HPLC data and it has been confirmed that the three test series of analytes have properly been designed and can be recommended for comparative studies of analytical columns.
Journal ArticleDOI
Development of Abraham model correlations for solvation characteristics of linear alcohols
Laura M. Sprunger,Sai S. Achi,Racheal Pointer,Brooke H. Blake-Taylor,William E. Acree,Michael H. Abraham +5 more
TL;DR: In this paper, the authors compared the logarithm of the water-to-alcohol partition coefficients (log P ) with the Abraham solvation parameter model and derived correlations described the observed log P and log K values to within average standard deviations of 0.14 and 0.12 log units, respectively.
Journal ArticleDOI
Ligand efficiency metrics considered harmful.
TL;DR: This Perspective provides an overview of ligand efficiency metrics and summarizes thermodynamics of protein–ligand binding and concludes with suggestions for alternative ways to account for physicochemical properties when prioritizing and optimizing leads.
References
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Journal ArticleDOI
The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography
Michael H. Abraham,J. C. McGowan +1 more
TL;DR: In this paper, it was shown that the use of the McGowans characteristic volume, Vx, is equivalent to using Leahy's computer-calculated intrinsic volumes, V1, for the cavity term mV/100, for 209 gaseous, liquid, and solid solutes.
Journal ArticleDOI
Do general anaesthetics act by competitive binding to specific receptors
Nicholas P. Franks,W. R. Lieb +1 more
TL;DR: It is shown that, over a 100,000-fold range of potencies, the activity of a pure soluble protein can be inhibited by 50% at anaesthetic concentrations which are essentially identical to those which anaesthetize animals.
Journal ArticleDOI
Hydrogen bonding: XVI. A new solute salvation parameter, π2H, from gas chromatographic data
TL;DR: In this article, the general salvation equation, log VG0 (or log L) was used to set up a new π2H parameter of solute dipolarity-polarisability, mainly through the extensive data of McReynolds and Patte et al.
Related Papers (5)
Determination of sets of solute descriptors from chromatographic measurements
The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography
Michael H. Abraham,J. C. McGowan +1 more