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. 2018 Apr 27;9:1695. doi: 10.1038/s41467-018-04119-6

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© The Author(s) 2018

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 6 — DFT calculations of PBI-CB and the drugs. a The electron density distributions of the fluorescence emission relevant orbitals of PBI-CB, and possible quenching mechanism in the presence of the tested illicit drugs. b Dominant natural transition orbital pairs for the lowest singlet excited state geometry, and levels of HOMO (π) and LUMO (π*) orbitals of PBI-CB as well as the relevant illicit drugs