In Search of Preferential Macrocyclic Hosts for Sulfur Mustard Sensing and Recognition: A Computational Investigation through the New Composite Method r(2)SCAN-3c of the Key Factors Influencing the Host-Guest Interactions

Sulfur mustard (SM) is a harmful warfare agent that poses a serious threat to human health and the environment. Thus, the design of porous materials capable of sensing and/or capturing SM is of utmost importance. In this paper, the interactions of SM and its derivatives with ethylpillar[5]arene (EtP...

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Detalles Bibliográficos
Autores principales: Messiad, Fatine Ali, Ammouchi, Nesrine, Belhocine, Youghourta, Alhussain, Hanan, Ghoniem, Monira Galal, Said, Ridha Ben, Ali, Fatima Adam Mohamed, Rahali, Seyfeddine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9329917/
https://www.ncbi.nlm.nih.gov/pubmed/35893486
http://dx.doi.org/10.3390/nano12152517

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