Reverse Hydrogen Spillover in Supported Subnanosize Clusters of the Metals of Groups 8 to 11. A Computational Model Study.

ChemInform ◽  
2006 ◽  
Vol 37 (9) ◽  
Author(s):  
Georgi N. Vayssilov ◽  
Notker Roesch
Keyword(s):  
Computational Model ◽  
Hydrogen Spillover ◽  
Model Study

Reverse hydrogen spillover on and hydrogenation of supported metal clusters: insights from computational model studies

2012 ◽  
Vol 14 (17) ◽  
pp. 5879 ◽  
Author(s):  
Georgi N. Vayssilov ◽  
Galina P. Petrova ◽  
Elena A. Ivanova Shor ◽  
Vladimir A. Nasluzov ◽  
Alexei M. Shor ◽  
...  
Keyword(s):  
Computational Model ◽  
Metal Clusters ◽  
Hydrogen Spillover ◽  
Model Studies ◽  
Supported Metal Clusters ◽  
Supported Metal

The Role of Silanols in the Interactions between Methyltert-Butyl Ether and High-Silica Faujasite Y: An Infrared Spectroscopy and Computational Model Study

2012 ◽  
Vol 116 (12) ◽  
pp. 6943-6952 ◽  
Author(s):  
Ilaria Braschi ◽  
Giorgio Gatti ◽  
Chiara Bisio ◽  
Gloria Berlier ◽  
Vittoria Sacchetto ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Computational Model ◽  
Butyl Ether ◽  
Model Study ◽  
High Silica

Interstitial water and the formation of low barrier hydrogen bonds: A computational model study

2011 ◽  
Vol 112 (5) ◽  
pp. 1460-1472 ◽  
Author(s):  
Ka-Un Lao ◽  
Timm Lankau ◽  
Teng-I Fang ◽  
Jian-Wei Zou ◽  
Chin-Hui Yu
Keyword(s):  
Hydrogen Bonds ◽  
Computational Model ◽  
Interstitial Water ◽  
Model Study ◽  
Low Barrier Hydrogen Bonds

scholarly journals Role of CaMKII and PKA in Early Afterdepolarization of Human Ventricular Myocardium Cell: A Computational Model Study

2016 ◽  
Vol 2016 ◽  
pp. 1-8 ◽  
Author(s):  
Ling Dai ◽  
Yunliang Zang ◽  
Dingchang Zheng ◽  
Ling Xia ◽  
Yinglan Gong
Keyword(s):  
Computational Model ◽  
Signaling Pathway ◽  
Experimental Studies ◽  
Ventricular Myocardium ◽  
Delayed Rectifier ◽  
Adrenergic Signaling ◽  
Model Study ◽  
Early Afterdepolarization ◽  
Human Ventricular Myocardium

Early afterdepolarization (EAD) plays an important role in arrhythmogenesis. Many experimental studies have reported that Ca2+/calmodulin-dependent protein kinase II (CaMKII) and β-adrenergic signaling pathway are two important regulators. In this study, we developed a modified computational model of human ventricular myocyte to investigate the combined role of CaMKII and β-adrenergic signaling pathway on the occurrence of EADs. Our simulation results showed that (1) CaMKII overexpression facilitates EADs through the prolongation of late sodium current’s (INaL) deactivation progress; (2) the combined effect of CaMKII overexpression and activation of β-adrenergic signaling pathway further increases the risk of EADs, where EADs could occur at shorter cycle length (2000 ms versus 4000 ms) and lower rapid delayed rectifier K+ current (IKr) blockage (77% versus 85%). In summary, this study computationally demonstrated the combined role of CaMKII and β-adrenergic signaling pathway on the occurrence of EADs, which could be useful for searching for therapy strategies to treat EADs related arrhythmogenesis.

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