Machine learning‐based atom contribution method for the prediction of surface charge density profiles and solvent design

AIChE Journal ◽  
2020 ◽  
Author(s):  
Qilei Liu ◽  
Lei Zhang ◽  
Kun Tang ◽  
Linlin Liu ◽  
Jian Du ◽  
...  
Keyword(s):  
Machine Learning ◽  
Charge Density ◽  
Surface Charge ◽  
Surface Charge Density ◽  
Density Profiles ◽  
Solvent Design

Group contribution prediction of surface charge density profiles for COSMO-RS(Ol)

AIChE Journal ◽  
2007 ◽  
Vol 53 (12) ◽  
pp. 3231-3240 ◽  
Author(s):  
Tiancheng Mu ◽  
Jürgen Rarey ◽  
Jürgen Gmehling
Keyword(s):  
Charge Density ◽  
Surface Charge ◽  
Surface Charge Density ◽  
Group Contribution ◽  
Density Profiles

An ionic fragments contribution-COSMO method to predict the surface charge density profiles of ionic liquids

2019 ◽  
Vol 282 ◽  
pp. 292-302 ◽  
Author(s):  
Wenhui Tu ◽  
Lu Bai ◽  
Shaojuan Zeng ◽  
Hongshuai Gao ◽  
Suojiang Zhang ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Charge Density ◽  
Surface Charge ◽  
Surface Charge Density ◽  
Density Profiles

scholarly journals Mapping Surface Charge Distribution of Single-Cell via Charged Nanoparticle

Cells ◽  
2021 ◽  
Vol 10 (6) ◽  
pp. 1519
Author(s):  
Leixin Ouyang ◽  
Rubia Shaik ◽  
Ruiting Xu ◽  
Ge Zhang ◽  
Jiang Zhe
Keyword(s):  
Cell Surface ◽  
Charge Density ◽  
Surface Charge ◽  
Charge Distribution ◽  
Surface Charge Density ◽  
Single Cells ◽  
Fluorescent Light ◽  
Fluorescent Nanoparticles ◽  
Cell Surface Charge ◽  
Surface Charge Distribution

Many bio-functions of cells can be regulated by their surface charge characteristics. Mapping surface charge density in a single cell’s surface is vital to advance the understanding of cell behaviors. This article demonstrates a method of cell surface charge mapping via electrostatic cell–nanoparticle (NP) interactions. Fluorescent nanoparticles (NPs) were used as the marker to investigate single cells’ surface charge distribution. The nanoparticles with opposite charges were electrostatically bonded to the cell surface; a stack of fluorescence distribution on a cell’s surface at a series of vertical distances was imaged and analyzed. By establishing a relationship between fluorescent light intensity and number of nanoparticles, cells’ surface charge distribution was quantified from the fluorescence distribution. Two types of cells, human umbilical vein endothelial cells (HUVECs) and HeLa cells, were tested. From the measured surface charge density of a group of single cells, the average zeta potentials of the two types of cells were obtained, which are in good agreement with the standard electrophoretic light scattering measurement. This method can be used for rapid surface charge mapping of single particles or cells, and can advance cell-surface-charge characterization applications in many biomedical fields.

Triboelectrification of nanocomposites using identical polymer matrixes with different concentrations of nanoparticle fillers

2021 ◽  
Author(s):  
Linards Lapčinskis ◽  
Artis Linarts ◽  
Kaspars Mālnieks ◽  
Hyunseung Kim ◽  
Kristaps Rubenis ◽  
...  
Keyword(s):  
Charge Density ◽  
Surface Charge ◽  
Surface Charge Density ◽  
Polymer Layers

In this study, we investigate triboelectrification in polymer-based nanocomposites using identical polymer matrixes containing different concentrations of nanoparticles (NPs). The triboelectric surface charge density on polymer layers increased as the...

scholarly journals Effect of Selected Anionic and Cationic Drugs Affecting the Central Nervous System on Electrical Properties of Phosphatidylcholine Liposomes: Experiment and Theory

2021 ◽  
Vol 22 (5) ◽  
pp. 2270
Author(s):  
Joanna Kotyńska ◽  
Monika Naumowicz
Keyword(s):  
Central Nervous System ◽  
Nervous System ◽  
Charge Density ◽  
Surface Charge ◽  
Surface Charge Density ◽  
Barbituric Acid ◽  
Membrane Surface ◽  
Adsorption Equilibria ◽  
Two Component ◽  
The Central Nervous System

Interactions between phospholipid membranes and selected drugs affecting the central nervous system (CNS) were investigated. Small, unilamellar liposomes were used as biomimetic cell membrane models. Microelectrophoretic experiments on two-component liposomes were performed using the electrophoretic light scattering technique (ELS). The effect of both positively (perphenazine, PF) and negatively (barbituric acid, BA) charged drugs on zwitterionic L-α-phosphatidylcholine (PC) membranes were analyzed. Experimental membrane surface charge density (d) data were determined as a function of pH. Quantitative descriptions of the adsorption equilibria formed due to the binding of solution ions to analyzed two-component membranes are presented. Binding constants of the solution ions with perphenazine and barbituric acid-modified membranes were determined. The results of our research show that both charged drugs change surface charge density values of phosphatidylcholine membranes. It can be concluded that perphenazine and barbituric acid are located near the membrane surface, interacting electrostatically with phosphatidylcholine polar heads.

Surface charging parameters of charged particles in symmetrical electrolyte solutions

2020 ◽  
Vol 22 (35) ◽  
pp. 20123-20142
Author(s):  
Hadi Saboorian-Jooybari ◽  
Zhangxin Chen
Keyword(s):  
Charge Density ◽  
Surface Charge ◽  
Electrolyte Solution ◽  
Surface Charge Density ◽  
Potential Surface ◽  
Research Work ◽  
Charged Particles ◽  
Electrolyte Solutions ◽  
Surface Charging ◽  
Curvature Dependence

This research work is directed at development of accurate physics-based formulas for quantification of curvature-dependence of surface potential, surface charge density, and total surface charge for cylindrical and spherical charged particles immersed in a symmetrical electrolyte solution.

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