Search results for "Partition coefficient"
showing 10 items of 146 documents
Adsorption of Db and its homologues Nb and Ta, and the pseudo-homologue Pa on anion-exchange resin in HF solution
2009
Anion-exchange chromatography of element 105, dubnim (Db), produced in the 206 Cm( 19 F, 5n) 262 Db reaction is investigated together with the homologues Nb and Ta, and the pseudo-homologue Pa in 13.9 M hydrofluoric acid (HF) solution. The distribution coefficient (K d ) of Db on an anion-exchange resin is successfully determined by running cycles of 1702 chromatographic column separations. The result clearly indicates that the adsorption of Db on the resin is significantly different from that of the homologues and that the adsorption of anionic fluoro complexes of these elements decreases in the sequence of Ta ≈ Nb > Db > Pa.
A computational approach to evaluate temperature and heat partition in machining with multilayer coated tools
2003
Abstract In this paper, analytical models for estimating the interface temperature and heat partition to the chip in continuous dry machining of steels with flat-faced tools treated with multilayer coatings are presented. The database for modeling includes changes in the thermal properties of both workpiece and substrate/coating materials and the Peclet and Fourier numbers occurring at actual interface temperatures. Process outputs involve the average tool–chip interface temperature, the tool–chip contact length, the friction energy and the heat balance between the moving chip and stationary tool. It was found that the heat partition coefficient varies significantly from 0.65 to 0.8 when us…
Evaluation of entropies of fusion of polychlorinated naphthalenes by model congeners: A DSC study
2006
Abstract Thirteen congeners of polychlorinated naphthalenes (PCN) were synthesized and studied by differential scanning calorimetry (DSC). Melting points (Tm) were obtained for all thirteen, and enthalpies of fusion (ΔHf) were obtained for nine congeners. Melting points of other PCNs, except for five, were found in literature. In addition, experimental ΔHf values determined by DSC were found only for 1- and 2-mono-chloronaphthalenes in the literature. The missing or uncertain values of the eight melting points and 64 enthalpies of fusion were estimated by multiple linear regressions using a set of thirteen molecular descriptors as candidates for independent variables. The stepwise model of …
A micellar multitasking device: sensing pH windows and gauging the lipophilicity of drugs with fluorescent signals.
2010
A multitasking fluorescent device can be obtained by forming micelles of Triton X-100, containing a lipophilic macrocyclic Cu(2+) complex and the coordinating fluorophore Coumarin 343 (C343), which features a COOH moiety. At low pH the two micellised components do not interact, and the fluorescence of Courmarin 343 (C343) is intense. At intermediate pH, C343 is deprotonated and coordinates to the Cu(2+) centre in its apical position, with fluorescence quenching. At higher pH the deprotonated C343 is displaced from Cu(2+) by the formation of an OH(-) complex, and the fluorescence is revived. This allows the system to carry out its first task as it behaves as an "on-off-on" fluorescent sensor…
Flavor Release from i-Carrageenan Matrix: A Quantitative Structure-Property Relationships Approach
2006
International audience; We carried out a QSPR (quantitative structure-property relationships) approach to evaluate the influence of the chemical structure of aqueous matrixes over the partition coefficient between the gas phase and the matrix. The determination of the partition coefficient of flavor ingredients was performed by headspace analysis at equilibrium for both saline solution and -carrageenan gel. Starting from an initial list of 90 descriptors, we selected 10 descriptors to perform equation generation by the GFA (genetic function approximation) method available in the Cerius2 package. The best obtained equations involve only five descriptors, which encode electronic properties of…
Partition Behavior of Anilines in Bulk‐Phase and High‐Performance Liquid Chromatographic Systems: Influence on Correlation with Biological Constants
1992
Abstract The partition behavior of a mixed series of ring‐substituted anilines in reversed‐phase high‐performance liquid chromatographic systems is substantially different from that observed in a classical bulk‐phase partition system with n ‐heptane as the aprotic reference solvent. On the basis of the equivalence of each ring substituent in the p ‐straight‐chain methylene groups (ν value) as a function of the fraction of organic solvent (acetonitrile or methanol) in the mobile phase, the biased partition behavior for imperfect homologues and heterologues is verified relative to that of perfect homologues. This behavior was tentatively attributed, mainly, to differences in the hydrogen bond…
Exemples de QSAR sur des coefficients de partage
2005
National audience
Assessment of the influence of counter ions on biosorption of copper cations in brewer's spent grain - Waste product generated during beer brewing pr…
2019
Abstract The influence that conditioning leached ground barley grain (known as “brewer's spent grain” (BSG)) has on the effectiveness of copper cation sorption was analysed. Saturation with counter ions of functional groups present on the grain surface was carried out in hydrochloric acid, sodium hydroxide, sodium and calcium chloride solutions. For comparison, BSG was also conditioned in demineralised water. Spent barley grain is a by-product of the brewing industry which can be used as a biosorbent in the removal of heavy metals from waste water. Emphasis is placed on the effect of competitive sorption of copper and hydrogen cations and the negative influence of a solution alkalinisation …
Effect of ionization and the nature of the mobile phase in quantitative structure-retention relationship studies.
2005
Abstract The octanol–water distribution constant, commonly called partition coefficient, Po/w, is a parameter often retained as a measure of the hydrophobicity of a molecule. log Po/w, for a given molecule, can be conveniently evaluated constructing correlation lines between standard retention factor logarithms (log k) in reversed-phase liquid chromatography (RPLC) and standard log Po/w values. Many compounds of pharmaceutical interest can be quite hydrophobic and have, simultaneously, basic nitrogen atoms or acidic sulfur containing groups in their structure. This renders them ionizable. The hydrophobicity of the molecular drug form (Po/w value) is completely different from its ionic form …
Donnan equilibrium of ionic drugs in pH-dependent fixed charge membranes: theoretical modeling.
2002
Abstract We have studied theoretically the partition equilibrium of a cationic drug between an electrolyte solution and a membrane with pH-dependent fixed charges using an extended Donnan formalism. The aqueous solution within the fixed charge membrane is assumed to be in equilibrium with an external aqueous solution containing six ionic species: the cationic drug (DH + ), the salt cations (Na + and Ca 2+ ), the salt anion (Cl − ), and the hydrogen and hydroxide ions. In addition to these mobile species, the membrane solution may also contain four fixed species attached to the membrane chains: strongly acid sulfonic groups (SO 3 − ), weakly acid carboxylic groups in dissociated (COO − ) a…