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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Trigeminal and olfactory chemosensory impact of selected terpenes
TL;DR: The overall outcome suggests comparable trigeminal chemosensitivity between nose and eyes and between normosmics and anosmICS, as shown before for homologous n-alcohols, and lends support to a previously derived solvation model of the chemesthetic potency of airborne substances.
Journal ArticleDOI
Polyparameter linear free energy models for polyacrylate fiber-water partition coefficients to evaluate the efficiency of solid-phase microextraction.
TL;DR: Using the established PP-LFERs, the SPME extraction efficiency of PA coating toward compounds of differing polarity was evaluated in comparison to poly(dimethylsiloxane) (PDMS) coating and PA was shown to be more efficient than PDMS for hydrophobic aromatic compounds.
Journal ArticleDOI
Rapid method for estimating the octanol–water partition coefficient (log Pow) by microemulsion electrokinetic chromatography
TL;DR: Several surfactant systems were evaluated based on their system constants determined by the solvation parametermodel for the design of a surrogate chromatographic model for the rapid estimation of octanol-water partition coefficient (log Pow) by microemulsion electrokinetic chromatography.
Journal ArticleDOI
Characterization of lipophilicity scales using vectors from solvation energy descriptors
Yasushi Ishihama,Naoki Asakawa +1 more
TL;DR: Some biological parameters such as skin permeability and the distribution between blood and brain could be predicted by the summation of the SED vectors obtained from the chromatographic systems.
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Automatic Mechanism and Kinetic Model Generation for Gas‐ and Solution‐Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges
Ruben Van de Vijver,Nick Vandewiele,Pierre L. Bhoorasingh,Belinda L. Slakman,Fariba Seyedzadeh Khanshan,Hans-Heinrich Carstensen,Marie-Françoise Reyniers,Guy Marin,Richard H. West,Kevin Van Geem +9 more
TL;DR: In this article, the core of these automated mechanism generation for gas-phase and solution-phase processes that is on how the reaction kinetics and thermodynamic and transport properties of species are estimated and calculated starting from the fundamental elements of the software.
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.
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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