Browsing Articles - Department of Applied Sciences by Author "Cao, Yan"
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Extraction of penicillin G from aqueous solution using a membrane contactor: Numerical investigation
Cao, Yan; Khan, Afrasyab; Sarkar, Shaheen M.; Albadarin, Ahmad B. (Elsevier, 2021-05-23)In the current study, the treatment of pharmaceutical wastewater containing penicillin G treatment using a hollow fibre membrane contactor was investigated. A mathematical model based on the finite element method was ... -
Modelling and simulation of waste tire pyrolysis process for recovery of energy and production of valuable chemicals (BTEX)
Cao, Yan; Nakhjiri, Ali Taghvaie; Sarkar, Shahin (Springer Nature Limited, 2023-04-13)The pyrolysis oil fraction is highly attractive for pyrolysis products. A simulated flowsheet model of a waste tire pyrolysis process is presented in this paper. A kinetic rate-based reaction model and equilibrium separation ... -
Molecular docking evaluation of celecoxib on the boron nitride nanostructures for alleviation of cardiovascular risk and inflammatory
Cao, Yan; Noori, Malihe; Nazari, Marziyeh; Ng Kay Lup, Andrew; Soltani, Alireza; Erfani-Moghadam, Vahid; Salehi, Aref; Aghaei, Mehrdad; Rahman, Md Lutfor; Sani Sarjadi, Mohd; M. Sarkar, Shaheen; Su, Chia-Hung (Elsevier, 2021-10-29)Celecoxib (CXB) is a nonsteroidal anti-inflammatory drug (NSAID) that can be used to treat rheumatoid arthritis and ischemic heart disease. In this research, density functional theory (DFT) and molecular docking simulations ... -
Penicillamine functionalized B12N12 and B12CaN12 nanocages act as potential inhibitors of proinflammatory cytokines: A combined DFT analysis, ADMET and molecular docking study
Cao, Yan; Khan, Afrasyab; Balakheyli, Hanzaleh; Ng Kay Lup, Andrew; Ramezani Taghartapeh, Mohammad; Mirzaei, Hassan; Reza Khandoozi, Seyed; Soltani, Alireza; Aghaei, Mehrdad; Heidari, Fatemeh; Sarkar, Shaheen M.; Albadarin, Ahmad B. (Elsevier, 2021-05-18)The adsorption of penicillamine (PCA) on pure B12N12 and B12CaN12 nanocages in aqueous and chloroform solvents has been evaluated using density functional theory (DFT) calculations. The interaction of PCA on B12N12 nanocages ...