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Investigations into Pesticide Charge Site Isomers Using Conventional IM and cIM Systems

Talanta ◽  
2021 ◽  
pp. 122604
Author(s):  
Michael McCullagh ◽  
Séverine Goscinny ◽  
Martin Palmer ◽  
Jakub Ujma
Keyword(s):  
Charge Site

scholarly journals pyscses: a PYthon Space-Charge Site-Explicit Solver

2019 ◽  
Vol 4 (35) ◽  
pp. 1209
Author(s):  
Georgina Wellock ◽  
Benjamin Morgan
Keyword(s):  
Space Charge ◽  
Charge Site ◽  
Explicit Solver

Charge Site Derivatization

2016 ◽  
Author(s):  
Kermit K. Murray ◽  
Robert K. Boyd ◽  
Marcos N. Eberlin ◽  
G. John Langley ◽  
Liang Li ◽  
...  
Keyword(s):  
Charge Site

scholarly journals Charge site assignment in native proteins by ultraviolet photodissociation (UVPD) mass spectrometry

The Analyst ◽  
2016 ◽  
Vol 141 (1) ◽  
pp. 166-176 ◽  
Author(s):  
Lindsay J. Morrison ◽  
Jennifer S. Brodbelt
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Charge Site ◽  
Ultraviolet Photodissociation ◽  
Native Proteins ◽  
Site Assignment ◽  
193 Nm ◽  
Proteins And Peptides

Characterization of all gas-phase charge sites of natively sprayed proteins and peptides is demonstrated using 193 nm UVPD.

Mechanism of adsorption affinity and capacity of Mg(OH)2 to uranyl revealed by molecular dynamics simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (37) ◽  
pp. 31507-31513 ◽  
Author(s):  
Xinwen Ou ◽  
Zanyong Zhuang ◽  
Jingyuan Li ◽  
Feng Huang ◽  
Zhang Lin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Negative Charge ◽  
Dynamics Simulation ◽  
Charge Site ◽  
Oh Groups ◽  
Adsorption Affinity

The redistribution of surface OH groups results in a negative charge site which facilitates the uranyl adsorption.

A Comparison of Theoretical and Experimental Raman Spectra of Microhydrated Sodium Glycinate

2014 ◽  
Vol 934 ◽  
pp. 116-120
Author(s):  
Chen Dong ◽  
Zhi Chao Wei ◽  
Bo Liu
Keyword(s):  
Raman Spectra ◽  
Structural Information ◽  
Sodium Cation ◽  
Bridge Site ◽  
Charge Site ◽  
Dominant Position

The sequential microhydration of sodium glycinate is investigated at the MP2/6-311++G(d,p) level. Our results clearly indicate that the microhydration process is driven by the charge site of sodium cation and a bridge site is losing its dominant position. Eventually, a comparison of theoretical and experimental Raman spectra provides the evidence of the predicted structural information.

scholarly journals Charge-Site-Dependent Dissociation of Hydrogen-Rich Radical Peptide Cations upon Vacuum UV Photoexcitation

2012 ◽  
Vol 18 (17) ◽  
pp. 5374-5383 ◽  
Author(s):  
James A. Madsen ◽  
Ryan R. Cheng ◽  
Tamer S. Kaoud ◽  
Kevin N. Dalby ◽  
Dmitrii E. Makarov ◽  
...  
Keyword(s):  
Charge Site ◽  
Vacuum Uv

Effects of Cation Charge-Site Identity and Position on Electron-Transfer Dissociation of Polypeptide Cations

2007 ◽  
Vol 129 (40) ◽  
pp. 12232-12243 ◽  
Author(s):  
Yu Xia ◽  
Harsha P. Gunawardena ◽  
David E. Erickson ◽  
Scott A. McLuckey
Keyword(s):  
Electron Transfer ◽  
Electron Transfer Dissociation ◽  
Charge Site ◽  
Cation Charge
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