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- W2943486583 abstract "The protonation process of tyrosine kinase inhibitor lapatinib was studied by means of 1 HNMR and UV/Vis spectroscopy joint with the theoretical calculations at DFT and semi-empirical levels. DFT/M06-2X geometries were used to describe and compare the different cationic forms of lapatinib, while ZINDO/S-CI method performed on those geometries allowed for the interpretation of experimental UV/Vis spectra of lapatinib at various pH. We found that at low pH two different dicationic forms (N2N1 and N1N3) of lapatinib were present in ethanol and DMSO- d 6 solutions. The first protonation, however, occurred on the aliphatic N1 in DMSO- d 6 , while in ethanol solutions most probably the quinazoline nitrogen atom N2 was also protonated." @default.
- W2943486583 created "2019-05-09" @default.
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- W2943486583 date "2019-04-01" @default.
- W2943486583 modified "2023-10-18" @default.
- W2943486583 title "Protonation of Tyrosine Kinase Inhibitor Lapatinib: A Theoretical and Experimental Study" @default.
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- W2943486583 doi "https://doi.org/10.4028/www.scientific.net/kem.800.19" @default.
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