Modeling Nonlinear Adsorption with a Single Chemical Parameter: Predicting Chemical Median Langmuir Binding Constants

2015 ◽  
Vol 49 (13) ◽  
pp. 7818-7824 ◽  
Author(s):  
Craig Warren Davis ◽  
Dominic M. Di Toro
Keyword(s):  
Binding Constants ◽  
Chemical Parameter ◽  
Single Chemical ◽  
Nonlinear Adsorption

Titration Simulations for Understanding of the Binding Equilibrium

2020 ◽  
Author(s):  
Dae Hyup Sohn
Keyword(s):  
Equilibrium Model ◽  
Binding Sites ◽  
Binding Constants ◽  
Reliability Evaluation ◽  
Binding Isotherm ◽  
Guest Chemistry

<p>The reliability evaluation of the predicted binding constants in numerous models is also a challenge for supramolecular host-guest chemistry. Here, I briefly formulate binding isotherm with the derivation of the multivalent equilibrium model for the chemist who wants to determine the binding constants of their compounds. This article gives an in-depth understanding of the stoichiometry of binding equilibrium to take divalent binding equilibria bearing two structurally identical binding sites as an example. The stoichiometry of binding equilibrium is affected by (1) the cooperativity of complex, (2) the concentration of titration media, and (3) the equivalents of guests. The simulations were conducted with simple Python codes.</p>

A Boronic Acid-Based Fluorescence Hydrogel for Monosaccharide Detection

2018 ◽  
Author(s):  
Suying Xu ◽  
Adam Sedgwick ◽  
Souad Elfecky ◽  
Wenbo Chen ◽  
Ashley Jones ◽  
...  
Keyword(s):  
Fluorescent Probe ◽  
Boronic Acid ◽  
Binding Constants ◽  
Strong Fluorescence ◽  
Fluorescence Response ◽  
Turn On ◽  
Fluorescence Turn On ◽  
Hydrogel System

<p>A boronic acid-based anthracene fluorescent probe was functionalised with an acrylamide unit to incorporate into a hydrogel system for monosaccharide detection<i>. </i>In solution, the fluorescent probe<b> </b>displayed a strong fluorescence turn-on response upon exposure to fructose, and an expected trend in apparent binding constants, as judged by a fluorescence response where D-fructose > D-galactose > D-mannose > D-glucose. The hydrogel incorporating the boronic acid monomer demonstrated the ability to detect monosaccharides by fluorescence with the same overall trend as the monomer in solution with the addition of fructose resulting in a 10-fold enhancement (≤ 0.25 M). <b><u></u></b></p>

PHYSICO-CHEMICAL PARAMETER OF GROUND WATER IN SONAI IN AHMEDNAGAR DIST, MAHARASTRA

2016 ◽  
Author(s):  
M. S. Jangale M. B. Lande and V. R. Phatake M. S. Jangale M. B. Lande and V. R. Phatake ◽  
Keyword(s):  
Ground Water ◽  
Chemical Parameter ◽  
Physico Chemical

(Thio)Urea-Functionalized Cavitands as Excellent Receptors for Organic Anions in Polar Media

2004 ◽  
Vol 69 (5) ◽  
pp. 1137-1148 ◽  
Author(s):  
Gennady V. Oshovsky ◽  
Willem Verboom ◽  
David N. Reinhoudt
Keyword(s):  
Binding Sites ◽  
Binding Constants ◽  
Organic Anions ◽  
Isothermal Microcalorimetry ◽  
Polar Media

Ureidocavitand 1 and thioureidocavitand 2 bind in CH3CN organic anions such as acetate, propionate, butyrate, etc. with K values of 2-8 × 105 l mol-1 and 2-9 × 106 l mol-1, respectively, as was determined with isothermal microcalorimetry (ITC). Bringing together four (thio)urea binding sites on a molecular platform gives rise to about 2000 times higher binding constants, compared with those of the corresponding single binding sites. Glucose- and galactose-containing thioureidocavitands 5 and 6 bind acetate in 1:1 CH3CN/water with a K-value of 2.15 × 103 l mol-1.

Determination of Enzyme or Binding Constants Using Generalized Linear Models, with Particular Reference to Michaelis–Menten Models

1989 ◽  
Vol 78 (5) ◽  
pp. 413-416
Author(s):  
Gerald Van Belle ◽  
Sue Leurgans ◽  
Pat Friel ◽  
Sunwei Guo ◽  
Mark Yerby
Keyword(s):  
Generalized Linear Models ◽  
Linear Models ◽  
Binding Constants

scholarly journals Comprehensive Characterisation of the Ketoprofen-β-Cyclodextrin Inclusion Complex Using X-ray Techniques and NMR Spectroscopy

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 4089
Author(s):  
Katarzyna Betlejewska-Kielak ◽  
Elżbieta Bednarek ◽  
Armand Budzianowski ◽  
Katarzyna Michalska ◽  
Jan K. Maurin
Keyword(s):  
Nmr Spectroscopy ◽  
Inclusion Complex ◽  
Crystal And Molecular Structure ◽  
Binding Constants ◽  
Nmr Studies ◽  
X Ray ◽  
Cyclodextrin Inclusion ◽  
Powder Samples ◽  
Cyclodextrin Inclusion Complex ◽  
Co Precipitation

Racemic ketoprofen (KP) and β-cyclodextrin (β-CD) powder samples from co-precipitation (1), evaporation (2), and heating-under-reflux (3) were analysed using X-ray techniques and nuclear magnetic resonance (NMR) spectroscopy. On the basis of NMR studies carried out in an aqueous solution, it was found that in the samples obtained by methods 1 and 2, there were large excesses of β-CD in relation to KP, 10 and 75 times, respectively, while the sample obtained by method 3 contained equimolar amounts of β-CD and KP. NMR results indicated that KP/β-CD inclusion complexes were formed and the estimated binding constants were approximately 2400 M−1, showing that KP is quite strongly associated with β-CD. On the other hand, the X-ray single-crystal technique in the solid state revealed that the (S)-KP/β-CD inclusion complex with a stoichiometry of 2:2 was obtained as a result of heating-under-reflux, for which the crystal and molecular structure were examined. Among the methods used for the preparation of the KP/β-CD complex, only method 3 is suitable.

Rendering a calixarene having dipyridyl pendants soluble in water results in different species with smaller binding constants

2007 ◽  
Vol 48 (47) ◽  
pp. 8274-8276 ◽  
Author(s):  
Giuseppe Arena ◽  
Annalinda Contino ◽  
Giuseppe Maccarrone ◽  
Domenico Sciotto ◽  
Carmelo Sgarlata
Keyword(s):  
Binding Constants

scholarly journals Chiral Polythiophenes: Part I: Syntheses of Monomeric Precursors

Molecules ◽  
2021 ◽  
Vol 26 (14) ◽  
pp. 4205
Author(s):  
Dorota Krasowska ◽  
Rafał Karpowicz ◽  
Józef Drabowicz
Keyword(s):  
Thin Layer ◽  
Chemical Entity ◽  
Single Chemical ◽  
Synthetic Approaches

The purpose of this mini-review is to comprehensively present the synthetic approaches used for the preparation of non-racemic mono- and multi-substituted thiophenes, which, in turn, can be applied as precursors for the synthesis of chiral polythiophenes isolated as a single chemical entity or having supramolecular thin-layer architectures.

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