Computer Simulation of Gas-Phase Neutralization of Electrospray-Generated Protein Macroions

2012 ◽  
Vol 116 (20) ◽  
pp. 5872-5881 ◽  
Author(s):  
Igor L. Kanev ◽  
Nikolay K. Balabaev ◽  
Anna V. Glyakina ◽  
Victor N. Morozov
Keyword(s):  
Computer Simulation ◽  
Gas Phase

CO binding to hemoglobin and myoglobin in equilibrium with a gas phase of low PO2 value

1988 ◽  
Vol 65 (6) ◽  
pp. 2513-2517 ◽  
Author(s):  
A. Agostoni ◽  
M. Perrella ◽  
L. Sabbioneda ◽  
U. Zoni
Keyword(s):  
Computer Simulation ◽  
Gas Phase ◽  
Qualitative Agreement ◽  
Significant Proportion ◽  
In Vitro System

The aim of this paper was to measure the binding of CO to myoglobin and hemoglobin at various PO2 values. For this purpose we have studied an "in vitro" system made up of solutions of hemoglobin and myoglobin equilibrated in two connected tonometers with the same gas phase of various PO2 and PCO. The results indicate that a significant proportion of CO is released by hemoglobin and binds myoglobin at low PO2 values (approximately 2-3 Torr), in qualitative agreement with the predictions of a previous computer simulation of the "in vivo" system.

Computer Simulation of the Formation Process of Cu-Au Nanoparticles by Condensation

2020 ◽  
Vol 310 ◽  
pp. 96-100
Author(s):  
Yuri Ya Gafner ◽  
Svetlana L. Gafner ◽  
Andrey V. Nomoev
Keyword(s):  
Computer Simulation ◽  
Gas Phase ◽  
Au Nanoparticles ◽  
Simulation Method ◽  
Chemical Compositions ◽  
Icosahedral Structure ◽  
External View ◽  
Number Of Clusters ◽  
Large Size ◽  
Binary Nanoparticles

The computer simulation method was used to examine condensation of 90124 Cu and Au atoms from the gas phase. To analyze the synthesis processes, there were selected chemical compositions Cu3Au, Cu-Au, Cu90Au10 and Cu60Au40 being cooled with liquid nitrogen during the condensation. The undertaken simulation showed that the increase in the percentage of gold atoms in the initial couple decreases the number of clusters of a relatively large size. Moreover, the analysis of the external view and the structure of Cu-Au nanoparticles of various chemical composition allowed us to conclude that a large number of binary nanoparticles were of an icosahedral structure.

Computer Simulation of the Kinetics of Complicated Gas Phase Reactions

1980 ◽  
Vol 19 (5) ◽  
pp. 333-343 ◽  
Author(s):  
Klaus H. Ebert ◽  
Hanns J. Ederer ◽  
Gunther Isbarn
Keyword(s):  
Computer Simulation ◽  
Gas Phase ◽  
Gas Phase Reactions ◽  
Kinetics Of

Modeling of the Band Gap Profile in the Intrinsic Layer of the a-SiGe:H Material: Application in Solar Cells

2002 ◽  
Vol 715 ◽  
Author(s):  
Raul Jimenez Zambrano ◽  
Francisco A. Rubinelli ◽  
Wim M. Arnoldbik ◽  
Jatindra K. Rath ◽  
Ruud E.I. Schropp
Keyword(s):  
Computer Simulation ◽  
Band Gap ◽  
Gas Phase ◽  
Rutherford Backscattering Spectrometry ◽  
Composition Profile ◽  
Delayed Response ◽  
Single Junction ◽  
Plasma Enhanced Cvd ◽  
Single Junction Solar Cell ◽  
The Difference

AbstractA new band gap profile (exponential profile) for the active layer of the a-SiGe:H single junction solar cell deposited by plasma enhanced CVD (PECVD) has been designed and experimentally demonstrated. In this work we study the difference between the experimental results and the computer simulation. Using Rutherford Backscattering Spectrometry (RBS) significant differences were found between the composition profile as expected from variations in the gas phase ratio GeH4/SiH4 during the deposition and the actual Ge/Si depth profile as determined by RBS. This has important implications for the design of bandgap-graded a-SiGe:H cells. Among others, a delayed response of the plasma conditions due to the changes in the GeH4 flow is studied.

Residual Gas Reactions in the Electron Microscope: I. Qualitative Observations on the Water Gas Reaction

1968 ◽  
Vol 26 ◽  
pp. 292-293
Author(s):  
Richard E. Hartman ◽  
Roberta S. Hartman ◽  
Peter L. Ramos
Keyword(s):  
Electron Beam ◽  
Electron Microscope ◽  
Gas Phase ◽  
Absolute Temperature ◽  
Residual Gas ◽  
Gas Reactions ◽  
Image Position ◽  
The Right ◽  
Water Gas ◽  
Thinning Rate

The action of water and the electron beam on organic specimens in the electron microscope results in the removal of oxidizable material (primarily hydrogen and carbon) by reactions similar to the water gas reaction .which has the form:The energy required to force the reaction to the right is supplied by the interaction of the electron beam with the specimen.The mass of water striking the specimen is given by:where u = gH2O/cm2 sec, PH2O = partial pressure of water in Torr, & T = absolute temperature of the gas phase. If it is assumed that mass is removed from the specimen by a reaction approximated by (1) and that the specimen is uniformly thinned by the reaction, then the thinning rate in A/ min iswhere x = thickness of the specimen in A, t = time in minutes, & E = efficiency (the fraction of the water striking the specimen which reacts with it).

Integration of Core-Edge Spectroscopy Methods for the Study of Polymers

1996 ◽  
Vol 54 ◽  
pp. 154-155
Author(s):  
E. G. Rightor
Keyword(s):  
Excited State ◽  
Polymer Blends ◽  
Gas Phase ◽  
Spatial Resolution ◽  
High Spatial Resolution ◽  
Electronic States ◽  
Core Electron ◽  
Bulk Solids ◽  
Development Application

Core edge spectroscopy methods are versatile tools for investigating a wide variety of materials. They can be used to probe the electronic states of materials in bulk solids, on surfaces, or in the gas phase. This family of methods involves promoting an inner shell (core) electron to an excited state and recording either the primary excitation or secondary decay of the excited state. The techniques are complimentary and have different strengths and limitations for studying challenging aspects of materials. The need to identify components in polymers or polymer blends at high spatial resolution has driven development, application, and integration of results from several of these methods.

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