Core electrons as probes of the net-charge distribution in molecules: a case study

2001 ◽  
Vol 333 (1-2) ◽  
pp. 181-188 ◽  
Author(s):  
G.F. Cerofolini ◽  
N. Re
Keyword(s):  
Charge Distribution ◽  
Net Charge ◽  
Core Electrons

Protein retention in ion-exchange chromatography: effect of net charge and charge distribution

2000 ◽  
Vol 877 (1-2) ◽  
pp. 13-24 ◽  
Author(s):  
Elisabeth Hallgren ◽  
Franka Kálmán ◽  
Dell Farnan ◽  
Csaba Horváth ◽  
Jan Ståhlberg
Keyword(s):  
Ion Exchange ◽  
Charge Distribution ◽  
Ion Exchange Chromatography ◽  
Exchange Chromatography ◽  
Net Charge ◽  
Protein Retention

scholarly journals Effect of the Net Charge Distribution on the Aqueous Solution Properties of Polyampholytes

1997 ◽  
Vol 52 (2) ◽  
pp. 133-137 ◽  
Author(s):  
F. Candau ◽  
A. Ohlemacher ◽  
J. P. Munch ◽  
S. J. Candau
Keyword(s):  
Aqueous Solution ◽  
Charge Distribution ◽  
Solution Properties ◽  
Net Charge

scholarly journals Sperm-particle interactions and their prospects for charge mapping

2019 ◽  
Author(s):  
Veronika Magdanz ◽  
Johannes Gebauer ◽  
Priyanka Sharan ◽  
Samar Eltoukhy ◽  
Dagmar Voigt ◽  
...  
Keyword(s):  
Charge Distribution ◽  
Sperm Cell ◽  
Particle Interactions ◽  
Net Charge ◽  
X Ray ◽  
Bovine Sperm ◽  
Attachment Sites ◽  
Dynamic Charge ◽  
Sperm Membrane ◽  
Positively Charged

AbstractIn this article, we demonstrate a procedure to investigate sperm charge distribution by electrostatic sperm-particle interactions. We fabricated and investigated differently charged particles and their attachment distribution on the bovine sperm membrane. We observed the sperm-particle attachment sites using bright field and cryo-scanning electron microscopy combined with energy-dispersive X-ray analysis. Our findings suggest that the charge distribution of the sperm membrane is not uniform and although the overall net charge of the sperm cell is negative, positively charged areas are especially found on the sperm heads. We test the newly developed method to investigate the dynamic charge distribution of the sperm cell membrane upon maturation induced by heparin, as a representation of the multitude of changes during the development of a sperm.

PIC/MCC Simulation of Glow Discharge in N2

2014 ◽  
Vol 960-961 ◽  
pp. 769-773
Author(s):  
Fang Cheng ◽  
Ai Hua Gao
Keyword(s):  
Glow Discharge ◽  
Electric Field ◽  
Charge Distribution ◽  
Electric Potential ◽  
Electric Field Intensity ◽  
Discharge Channel ◽  
Net Charge ◽  
Discharge Area ◽  
Space Charges ◽  
Pic Method

The simulation of glow discharge in N2 in a needle-plane configuration with PIC/MCC method is presented. In the discharge channel the electric field driven by space charges is solved by PIC method, and various collisions between particles are described with MCC method. The electric field intensity, the electric potential and the net charge distribution in the discharge area are obtained. The numerical results are consistent with the corresponding features of glow discharge. This work can provide references to further study of glow discharge.

Structure Activity Correlation of Herbicides Affecting Plastoquinone Reduction by Photosystem II: Electron Density Distribution in Inhibitors and Plastoquinone Species

1984 ◽  
Vol 39 (5) ◽  
pp. 405-411 ◽  
Author(s):  
A. Trebst ◽  
W. Donner ◽  
W. Draber
Keyword(s):  
Photosystem Ii ◽  
Charge Distribution ◽  
Model Building ◽  
Energy Content ◽  
Side Chain ◽  
Molecular Orbital Calculations ◽  
Net Charge ◽  
Binding Characteristics ◽  
Acceptor Side ◽  
Related Group

Molecular orbital calculations of the net charge and the π charge distribution in several inhibitors and herbicides of the functionally related group of the diuron and dinoseb type are reported. They confirm the model that urea, aminotriazinone and triazine herbicides all have in common a positive π-charge at a particular atom considered to be essential for binding. Phenol type inhibitors have different charge distribution and a model for their essential features is presented. The calculations support the finding that two different subunits with different binding characteristics are involved in inhibitor and plastoquinone function on the acceptor side of photosystem II. Force-field model building and MO calculations of the charge distribution of a plastoquinone analogue with a butenyl side chain, of two of its semiquinone forms and of the hydroquinone, are reported, as well as their conformation with the lowest energy content and their likely anionic forms.

scholarly journals Influence of kinematic cuts on the net charge distribution

2016 ◽  
Vol 956 ◽  
pp. 336-339 ◽  
Author(s):  
Hannah Petersen ◽  
Dmytro Oliinychenko ◽  
Jan Steinheimer ◽  
Marcus Bleicher
Keyword(s):  
Charge Distribution ◽  
Net Charge

scholarly journals The Analyses of High Infectivity Mechanism of SARS-CoV-2 and Its Variants

COVID ◽  
2021 ◽  
Vol 1 (4) ◽  
pp. 666-673
Author(s):  
Yonghua Lu ◽  
Tianfu Zhao ◽  
Ming Lu ◽  
Yaopeng Zhang ◽  
Xiang Yao ◽  
...  
Keyword(s):  
Angiotensin Converting Enzyme ◽  
Charge Distribution ◽  
Negative Charge ◽  
Positive Charge ◽  
Spike Protein ◽  
Converting Enzyme ◽  
Net Charge ◽  
Angiotensin Converting Enzyme 2 ◽  
Charge Distributions ◽  
High Infectivity

SARS-CoV-2 has high infectivity and some of its variants have higher transmissibility. To explore the high infectivity mechanism, the charge distributions of SARS-CoV, SARS-CoV-2, and variants of concern were calculated through a series of net charge calculation formulas. The results showed that the SARS-CoV-2 spike protein had more positive charges than that of SARS-CoV. Further results showed that the variants had similar but higher positive charges than preexisting SARS-CoV-2. In particular, the Delta variant had the greatest increase in positive charges in S1 resulting in the highest infectivity. In particular, the S1 positive charge increased greatly in the Delta variant. The S1 positive charge increased, and due to the large negative charge of angiotensin-converting enzyme-2 (ACE2), this resulted in a large increase in Coulomb’s force between S1 and ACE2. This finding agrees with the expectation that the positive charges in the spike protein result in more negative charges on SARS-CoV-2 antibodies than that of SARS-CoV. Thus, the infectivity of a novel SARS-CoV-2 variant may be evaluated preliminarily by calculating the charge distribution.

Sign in / Sign up

Export Citation Format

Share Document