How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?

• Main Authors: Chompoonut Rungnim, Rungroj Chanajaree, Thanyada Rungrotmongkol, Supot Hannongbua, Nawee Kungwan, Peter Wolschann, Alfred Karpfen, Vudhichai Parasuk
• Format: Journal
• Published: 2018
• Subjects: Chemical Engineering; Chemistry; Computer Science
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84961263025&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/55385
• Institution: Chiang Mai University

© 2016, Springer-Verlag Berlin Heidelberg. The adsorption of nucleobase-analog anticancer drugs (fluorouracil, thioguanine, and mercaptopurine) on a graphene flake (C54H18) was investigated by shifting the site at which adsorption occurs from one end of the sheet to the other end. The counterpoise-c...