Thermodynamic non-ideality in charge regulation of weak polyelectrolytes

Soft Matter ◽  
2021 ◽  
Author(s):  
Alejandro Gallegos ◽  
Gary Min Chiang Ong ◽  
Jianzhong Wu
Keyword(s):  
Ionization Energy ◽  
Binding Model ◽  
Charge Regulation ◽  
Weak Polyelectrolytes ◽  
Site Binding

Polymer ionization differs from that for monomeric counterparts due to intramolecular correlations. Such effects are conventionally described in terms of the site-binding model that accounts for the ionization energy and...

scholarly journals High-affinity agonist binding to C5aR results from a cooperative two-site binding mechanism

2020 ◽  
Author(s):  
Andra C. Dumitru ◽  
R. N. V. Krishna Deepak ◽  
Heng Liu ◽  
Melanie Koehler ◽  
Cheng Zhang ◽  
...  
Keyword(s):  
Binding Sites ◽  
Transmembrane Domain ◽  
Binding Mechanism ◽  
Binding Model ◽  
C5a Receptor ◽  
Surface Receptors ◽  
Force Microscopy ◽  
Atomic Force ◽  
Kinetic Trap ◽  
Site Binding

AbstractA current challenge in the field of life sciences is to decipher, in their native environment, the functional activation of cell surface receptors upon binding of complex ligands. Lack of suitable nanoscopic methods has hampered our ability to meet this challenge in an experimental manner. Here, we use for the first time the interplay between atomic force microscopy, steered molecular dynamics and functional assays to elucidate the complex ligand-binding mechanism of C5a with the human G protein-coupled C5a receptor (C5aR). We have identified two independent binding sites acting in concert where the N-terminal C5aR serves as kinetic trap and the transmembrane domain as functional site. Our results corroborate the two-site binding model and clearly identify a cooperative effect between two binding sites within the C5aR. We anticipate that our methodology could be used for development and design of new therapeutic agents to negatively modulate C5aR activity.

scholarly journals Effect of Charge Regulation and Conformational Equilibria in the Stretching Properties of Weak Polyelectrolytes

2019 ◽  
Vol 52 (21) ◽  
pp. 8017-8031 ◽  
Author(s):  
Pablo M. Blanco ◽  
Sergio Madurga ◽  
Francesc Mas ◽  
Josep L. Garcés
Keyword(s):  
Charge Regulation ◽  
Conformational Equilibria ◽  
Weak Polyelectrolytes

Charge Regulation of Interacting Weak Polyelectrolytes

2004 ◽  
Vol 108 (15) ◽  
pp. 4840-4849 ◽  
Author(s):  
Yoram Burak ◽  
Roland R. Netz
Keyword(s):  
Charge Regulation ◽  
Weak Polyelectrolytes

scholarly journals Comprehensive identification of sensitive and stable ISFET sensing layer high-k gate based on ISFET/electrolyte models

2019 ◽  
Vol 9 (2) ◽  
pp. 926 ◽  
Author(s):  
Ahmed M. Dinar ◽  
A. S. Mohd Zain ◽  
F. Salehuddin
Keyword(s):  
Surface Potential ◽  
Gate Dielectric ◽  
High Surface ◽  
Binding Model ◽  
High K ◽  
High K Materials ◽  
Sensing Membrane ◽  
Real Experimental Data ◽  
Poor Stability ◽  
Site Binding

The ISFET sensing membrane is in direct contact with the electrolyte solution, determining the starting sensitivity of these devices. A SiO2 gate dielectric shows a low response sensitivity and poor stability. This paper proposes a comprehensive identification of different high-k materials which can be used for this purpose, rather than SiO2. The Gouy-Chapman and Gouy-Chapman-Stern models were combined with the Site-binding model, based on surface potential sensitivity, to achieve the work objectives. Five materials, namely Al2O3, Ta2O5, Hfo2, Zro2 and SN2O3, which are commonly considered for micro-electronic applications, were compared. This study has identified that Ta2O5 have a high surface potential response at around 59mV/pH, and also exhibits high stability in different electrolyte concentrations. The models used have been validated with real experimental data, which achieved excellent agreement. The insights gained from this study may be of assistance to determine the suitability of different materials before progressing to expensive real ISFET fabrication.

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