A DMPA Langmuir Monolayer Study: From Gas to Solid Phase. An Atomistic Description by Molecular Dynamics Simulation

详细信息    查看全文

• 作者：J. J. Giner-Casares ; L. Camacho ; M. T. Mart&iacute ; n-Romero ; J. J. Ló ; pez Cascales
• 刊名：Langmuir
• 出版年：2008
• 出版时间：March 4, 2008
• 年：2008
• 卷：24
• 期：5
• 页码：1823 - 1828
• 全文大小：313K
• 年卷期：v.24,no.5(March 4, 2008)
• ISSN：1520-5827

文摘

In this work, a DMPA Langmuir monolayer at the air/water interface was studied by molecular dynamics simulations.Thus, an atomistic picture of a Langmuir monolayer was drawn from its expanded gas phase to its final solid condensedone. In this sense, some properties of monolayers that were traditionally poorly or even not reproduced in computersimulations, such as lipid domain formation or pressure-area per lipid isotherm, were properly reproduced in thiswork. Thus, the physical laws that control the lipid domain formation in the gas phase and the structure of lipidmonolayers from the gas to solid condensed phase were studied. Thanks to the atomistic information provided bythe molecular dynamics simulations, we were able to add valuable information to the experimental description of theseprocesses and to access experimental data related to the lipid monolayers in their expanded phase, which is difficultor inaccessible to study by experimental techniques. In this sense, properties such as lipids head hydration and lipidstructure were studied.