纳米团簇
姜黄素
密度泛函理论
纳米技术
纳米颗粒
银纳米粒子
材料科学
药物输送
化学
光化学
计算化学
生物化学
作者
Dharmendra K. Gupta,Ravi Ranjan,M. M. Shukla
标识
DOI:10.1016/j.vibspec.2023.103604
摘要
The molecular interaction between curcumin, a naturally occurring polyphenolic compound with numerous health benefits, and silver nanoclusters has been investigated using Density Functional Theory (DFT). Silver nanoclusters are of great interest due to their unique optical, electronic, and catalytic properties. Understanding the interaction between curcumin and silver nanoclusters at the molecular level is crucial for potential applications in drug delivery, bioimaging, and therapeutics. DFT calculations have been used to explain the experimental observation such as UV–visible and IR frequencies. A detailed elucidation on the density of state calculation has been reported explaining that curcumin not only serves as a reducing agent or stabilizing agent for silver nanoclusters but also activates the nanoparticle by reducing the band gap in silver nanoparticles.
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