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Spectral Response of Interfacial Water at Different Lipid Monolayer Interfaces upon Interaction with Charged Gold Nanoparticles
The Journal of Physical Chemistry C ( IF 3.7 ) Pub Date : 2021-09-20 , DOI: 10.1021/acs.jpcc.1c06556
Preeti Gahtori 1 , Srinivasa Rao Varanasi 2 , Ravindra Pandey 1
Affiliation  

Understanding the interactions of nanoparticles with cell membranes is crucial for designing materials for biomedical applications. In this paper, through the combination of vibrational sum frequency generation (VSFG) and molecular dynamics simulation techniques, the spectral responses of the interfacial water molecules due to interaction of anionic gold nanoparticles (AGNPs) and cationic gold nanoparticles (CGNPs) with three differently charged model cell membranes, namely, 1,2-dipalmitoyl-sn-glycero-3-phosphoglycerol (DPPG, negatively charged), 1,2-dipalmitoyl-3-trimethylammonium-propane (DPTAP, positively charged), and zwitterionic 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC, neutral), have been investigated. The interfacial water intensity at the DPPG–water interface decreases abruptly in the presence of CGNPs because of the significant change in Stern layer configuration, whereas it does not show any noticeable change in the presence of AGNPs, resulting in an unperturbed stern layer configuration. However, in the case of DPTAP and DPPC interfaces, the Stern layer is significantly perturbed in the presence of both the charged GNPs, resulting in a substantial change in the interfacial water intensity. This is attributed to the change in orientation and structure of interfacial water molecules in the presence of both charged GNPs. These results provide valuable insights into the solvation structure and dynamics of water molecules to exploit for designing and optimizing the delivery system for biomedical applications.

中文翻译:

不同脂质单层界面处界面水与带电金纳米粒子相互作用的光谱响应

了解纳米粒子与细胞膜的相互作用对于设计生物医学应用材料至关重要。在本文中,通过结合振动和频生成 (VSFG) 和分子动力学模拟技术,由于阴离子金纳米粒子 (AGNPs) 和阳离子金纳米粒子 (CGNPs) 与三种不同电荷的相互作用,界面水分子的光谱响应模型细胞膜,即 1,2-二棕榈酰-sn-甘油-3-磷酸甘油(DPPG,带负电)、1,2-二棕榈酰-3-三甲基铵-丙烷(DPTAP,带正电)和两性离子 1,2-二棕榈酰-glycero-3-phosphocholine (DPPC, 中性), 已被研究。由于 Stern 层配置的显着变化,DPPG-水界面处的界面水强度在 CGNPs 存在的情况下突然降低,而在 AGNPs 的存在下它没有显示任何明显变化,导致未受干扰的 Stern 层配置。然而,在 DPTAP 和 DPPC 界面的情况下,在两种带电 GNP 存在的情况下,Stern 层受到显着扰动,导致界面水强度发生重大变化。这归因于在两种带电 GNP 存在下界面水分子的取向和结构发生了变化。
更新日期:2021-09-30
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