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DFT study on the adsorption of 5-fluorouracil on B<sub>40</sub>, B<sub>39</sub>M, and M@B<sub>40</sub>(M = Mg, Al, Si, Mn, Cu, Zn)

Li ZhangFujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, The School of Pharmacy, Fujian Medical University, Fuzhou 350108, People's Republic of ChinaZi-Dan QiFujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, The School of Pharmacy, Fujian Medical University, Fuzhou 350108, People's Republic of ChinaYa‐Ling YeFujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, The School of Pharmacy, Fujian Medical University, Fuzhou 350108, People's Republic of ChinaXianghui LiKey Laboratory of OptoElectronic Science and Technology for Medicine of Ministry of Education, Fujian Provincial Key Laboratory of Photonics Technology, Fujian Normal University, Fuzhou 350007, Fujian, People's Republic of ChinaJinghua ChenFujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, The School of Pharmacy, Fujian Medical University, Fuzhou 350108, People's Republic of ChinaWei‐Ming SunFujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, The School of Pharmacy, Fujian Medical University, Fuzhou 350108, People's Republic of China
2021en
ABI

Abstract

The adsorption of 5-fluorouracil on B 40 and its derivatives has been theoretically studied to provide some implications for the potential application of B 40 in drug delivery.

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