Filter-Probe Extractor: A Tool for the Rapid Determination of Oil-Water Partition Coefficients

Tomlinson, E.

doi:10.1002/jps.2600710537

Cited by 48 publications

(15 citation statements)

References 6 publications

(2 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Another is the so called Filter probe 79 which was later improved to the "filter chamber technique." 80 These are automated separating funnels connected to a pump which directs the layer of choice to an analytical device (usually a spectrophotometer) and back.…”

Section: Partition and Distributionmentioning

confidence: 99%

Development of Methods for the Determination of pK_aValues

et al. 2013

View full text Add to dashboard Cite

The acid dissociation constant (pKa) is among the most frequently used physicochemical parameters, and its determination is of interest to a wide range of research fields. We present a brief introduction on the conceptual development of pKa as a physical parameter and its relationship to the concept of the pH of a solution. This is followed by a general summary of the historical development and current state of the techniques of pKa determination and an attempt to develop insight into future developments. Fourteen methods of determining the acid dissociation constant are placed in context and are critically evaluated to make a fair comparison and to determine their applications in modern chemistry. Additionally, we have studied these techniques in light of present trends in science and technology and attempt to determine how these trends might affect future developments in the field.

show abstract

Section: Partition and Distributionmentioning

confidence: 99%

Development of Methods for the Determination of pK_aValues

et al. 2013

View full text Add to dashboard Cite

show abstract

“…Distribution coefficients were determined using a automated continuous flow technique similar to that described by Tomlinson. 29 All distribution coefficient determinations were performed at 25 °C using AnalaR grade reagents under a nitrogen atmosphere. The aqueous and octanol phases were presaturated with respect to each other before use.…”

Section: -Methoxy-1-propyl-2h-pyridin-2-one (27)mentioning

confidence: 99%

Synthesis, Physicochemical Properties, and Biological Evaluation of Hydroxypyranones and Hydroxypyridinones: Novel Bidentate Ligands for Cell-Labeling

A-K

et al. 1996

J. Med. Chem.

View full text Add to dashboard Cite

The synthesis of a range of hydroxypyranones and hydroxypyridinones with potential for the chelation of indium(III) is described. The crystal structures of two of the indium complexes are presented. The distribution coefficients of the ligands and the corresponding iron(III), gallium(III), and indium(III) complexes are reported. Good linear relationships between the distribution coefficients of the iron and gallium complexes and iron and indium complexes were obtained. In contrast a nonlinear relationship was obtained between the distribution coefficient of the free ligand and the distribution coefficient of the three groups of complexes. This latter relationship was used to identify compounds with optimal cell labeling properties. Two such compounds both 6-(alkoxymethyl)-3-hydroxy-4H-pyran-4-ones have been compared with tropolone for their ability to label human leucocytes with 111In. The leucocyte labeling efficiencies of the selected ligands were greater and the in-vitro plasma stabilities were similar to that of 111In-tropolonate. These results suggest that the new bidentate ligands may offer advantages over those currently used for cell-labeling.

show abstract

“…Thus, a number of other methods have emerged to improve the level of sensitivity, offer a broad dynamic range and increase turnaround time. The filter probe extractor method of Tomlinson has been shown to be efficient, rapid and flexible for the determination of partition coefficients over a wide range of concentrations and phase volume ratios [128]. Most newer methods of determination involve either reverse-phase, high performance liquid chromatography (RP-HPLC) or countercurrent chromatography (CCC) [129][130][131][132][133][134].…”

Section: A Experimental Determination Of Partition Coefficients (Log P)mentioning

confidence: 99%

QSAR: Then and Now

Selassie

Mekapati²,

Verma³

2002

CTMC

View full text Add to dashboard Cite

In this review, the evolution of QSAR is traced from the insightful observations of Crum-Brown and Frazier to Hammett's critical equations and finally Hansch's seminal contributions on hydrophobicity and modelling of biological activity based on extrathermodynamic principles. Today's QSAR models can stand alone, augment other graphical approaches or be examined in tandem with equations of a similar mechanistic genre to truly reveal the power of the paradigm. This review will focus on the three standard classifications routinely used in QSAR analysis electronic, hydrophobic, and steric, as well as topological indices. Electronic parameters will focus on Hammett sigma constants and their numerous variations. Dipole moments, hydrogen bond descriptors and quantum chemical indices as well as applications of their utilization will be described. The hydrophobicity parameter will be examined by tracing its early history, its operational definition and its determination by either experimental methods or computational calculations. Steric parameters, which run the gamut from size to shape, will be described by Taft's, Hancock's, Charton's, Fujita's, Verloop's and Simon's contributions. Topological effects, delineated by connectivity indices, kappa shape and electrotopological indices of Kier and Hall are also described. Examples of QSAR models incorporating most of these parameters are reviewed. In cases where the 95% confidence intervals of variables are available, they are listed in parentheses. A brief Comparative QSAR analysis of non-nucleoside reverse transcriptase inhibitors (NNRTI's) is outlined and various models obtained by different groups examining 4, 5, 6, 7-tetrahydro-5-methylimidazo [4, 5,1-j,k][1,4] benzodiazepin-2(1H)-ones (TIBO) and 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-thymine (HEPT) derivatives are compared for mechanistic insight that could be useful in the process of inhibitor design.

show abstract

Filter-Probe Extractor: A Tool for the Rapid Determination of Oil-Water Partition Coefficients

Cited by 48 publications

References 6 publications

Development of Methods for the Determination of pK_aValues

Development of Methods for the Determination of pK_aValues

Synthesis, Physicochemical Properties, and Biological Evaluation of Hydroxypyranones and Hydroxypyridinones: Novel Bidentate Ligands for Cell-Labeling

QSAR: Then and Now

Contact Info

Product

Resources

About

Filter-Probe Extractor: A Tool for the Rapid Determination of Oil-Water Partition Coefficients

Cited by 48 publications

References 6 publications

Development of Methods for the Determination of pKaValues

Development of Methods for the Determination of pKaValues

Synthesis, Physicochemical Properties, and Biological Evaluation of Hydroxypyranones and Hydroxypyridinones: Novel Bidentate Ligands for Cell-Labeling

QSAR: Then and Now

Contact Info

Product

Resources

About

Development of Methods for the Determination of pK_aValues

Development of Methods for the Determination of pK_aValues