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34. Oblique impingement of binary droplets at the nanoscale on superhydrophobic surfaces: A molecular dynamics study.

Author

Zhang, Aiping, Cui, Kai, Tian, Yuanyuan, Zhang, Benxi, Wang, Tieying, and He, Xin

Subjects
*SUPERHYDROPHOBIC surfaces, *SURFACE dynamics, *SURFACE forces, *ANGULAR momentum (Mechanics), *IMPULSE (Physics), *MOLECULAR dynamics
Abstract

The impacting phenomenon of nanodroplets has received much attention due to their importance in various industrial applications. The oblique impingement of single droplets is well understood; however, the effect of oblique angle on impacting the dynamics of multiple droplets at the nanoscale is very limited. To address this gap, we perform molecular dynamics (MD) simulations to study the impacting dynamics of binary nanodroplets with various oblique angles (αob) and Weber numbers (We). Using MD simulations, we directly capture the detailed morphological evolution of the impacting binary droplets with various given conditions. Compared to the oblique impingement of a single droplet, the evolution of impacting binary droplets involves two novel dynamic characteristics: the asymmetric dynamics with droplet preferential spreading in the y direction and the rotating of the coalescing droplet. The mechanisms underlying are well studied. The asymmetric dynamics is a result of the velocity gradient of the outer edge of the spreading droplet, and the rotating effect is due to the change in angular momentum induced by surface force. The analysis and study of these phenomena have never been mentioned in previous studies of single droplet. Finally, we investigate the effect of αob and We on normalized moving distance (L/Dsin) and contact time (tc). This work paves the way for offering a comprehensive understanding of the oblique impingement of binary nanodroplets. [ABSTRACT FROM AUTHOR]

Published
2024
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38. Potential protective effects of Huanglian Jiedu Decoction against COVID-19-associated acute kidney injury: A network-based pharmacological and molecular docking study

Author

Wu Weichu, Zhang Yonghai, Liu Guoyuan, Chi Zepai, Zhang Aiping, Miao Shuying, Lin Chengchuang, Xu Qingchun, and Zhang Yuanfeng

Subjects
covid-19, huanglian jiedu decoction, acute kidney injury, network pharmacology, Medicine
Abstract

Corona virus disease 2019 (COVID-19) is prone to induce multiple organ damage. The kidney is one of the target organs of SARS-CoV-2, which is susceptible to inducing acute kidney injury (AKI). Huanglian Jiedu Decoction (HLJDD) is one of the recommended prescriptions for COVID-19 with severe complications. We used network pharmacology and molecular docking to explore the therapeutic and protective effects of HLJDD on COVID-19-associated AKI. Potential targets related to “HLJDD,” “COVID-19,” and “Acute Kidney Injury/Acute Renal Failure” were identified from several databases. A protein–protein interaction (PPI) network was constructed and screened the core targets according to the degree value. The target genes were then enriched using gene ontology and Kyoto Encyclopedia of Genes and Genomes. The bioactive components were docked with the core targets. A total of 65 active compounds, 85 common targets for diseases and drugs were obtained; PPI network analysis showed that the core protein mainly involved JUN, RELA, and AKT1; functional analysis showed that these target genes were mainly involved in lipid and atherosclerosis signaling pathway and IL-17 signal pathway. The results of molecular docking showed that JUN, RELA, and AKT1 had good binding activity with the effective chemical components of HLJDD. In conclusion, HLJDD can be used as a potential therapeutic drug for COVID-19-associated AKI.

Published
2023
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