نتایج جستجو برای: oniom

تعداد نتایج: 206  

2017
Washington A. Pereira João B. L. Martins

The proteins kinase are a larger family of proteins in eukaryotes, they are the key central communication for intracellular control, regulation and signal transduction[1]. The regulatory mechanism includes various phenomena ranging from chemical and Structural properties of the protein until transcriptional control[2]. Therefore, the understanding from the mechanism of control of the kinase pro...

Journal: :Moneter 2023

One of the food commodities produced by agricultural sector with high economic value is red onion. As population Indonesia increases, need for oniom has also increased. The level onion production from year to increasing. Especially central Java area as largest producing center in 2021. Therefore, amount needs be maintained and increased monitoring overall land conditions. Such weather condition...

2017
F. Javier Torres Luis Rincón José Mora

Cob[N]alamin, Cbl, is a macrocyclic complex (~ 200 atoms/molecule) composed of a cobalt atom of variable oxidation state (i.e., Co, Co, or Co) located at the center of an almostflat deprotonated corrin ring [1, 2]. This macromolecule is well-known for its relevance in different metabolic processes occurring at the cellular level. However, recent experimental evidence has demonstrated that, beyo...

2014
Gang Yang Lijun Zhou

Defects are often considered as the active sites for chemical reactions. Here a variety of defects in zeolites are used to stabilize zwitterionic glycine that is not self-stable in gas phase; in addition, effects of acidic strengths and zeolite channels on zwitterionic stabilization are demonstrated. Glycine zwitterions can be stabilized by all these defects and energetically prefer to canonica...

2007
B. Boekfa J. Sirijaraensre P. Limtrakul P. Pantu J. Limtrakul

Adsorption of glycine on the acid site of H-ZSM-5 has been studied at an embedded ONIOM (MP2/6-31G(d,p): UFF) level of theory. Four possible modes of adsorptions are considered. The zwitterionic adsorption is the most stable conformation with the highest adsorption energy of 47.22 kcal/mol. The glycine zwitterion is protonated and stabilized by the anionic zeolite framework. The second most sta...

Journal: :Trends in Sciences 2022

Monoamine Oxidase B (MAO B) is a flavoenzyme that regulates and oxidizes monoamine neurotransmitters such as adrenaline, noradrenaline dopamine. The oxidation reaction also produces hydrogen peroxide can be harmful to dopaminergic neurons leading neurological disorders Alzheimer’s disease Parkinson’s disease. MAO inhibitor consequently used for preventing those disorders. structural details ins...

Journal: :Propellants, Explosives, Pyrotechnics 2021

The heat flow curves of nitrocellulose (NC)-based propellants are now an important assessment quantity for their quality and safety in storage service. measurable is the summarized effect rates all reaction heats reactions going on material. To get a detailed instead only global one requires knowing parts caused by NC stabilizer reactions. For this, turn, needs to find enthalpies essential deco...

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