Cation-π interaction of N,N-Dimethyltryptamine in hydrochloric acid solution characteristic to gastric acid (CROSBI ID 229649)
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Podaci o odgovornosti
Vidak, Andrej ; Movre Šapić, Iva ; Dananić, Vladimir
engleski
Cation-π interaction of N,N-Dimethyltryptamine in hydrochloric acid solution characteristic to gastric acid
N, N-DMT molecule is known in many cultures as endogenous hallucinogen and most research has been directed towards the psychological effects or structural definition while molecular interactions in conditions of the human body are poorly understood. We have complemented past structural research of N, N-DMT and investigated molecular interactions of N, N-DMT in the environment of 0.1 M hydrochloric acid which is characteristic to gastric fluid. Experimentally we have measured spectra of N, N-DMT with IR and Raman techniques and computed individual vibrational frequencies at DFT–B3LYP level of theory. Furthermore we put N, N-DMT in solution similar to gastric fluid environment and experimentally detected shift in vibrational frequency which is confirmed in our calculation. Our theoretical model shows that the cause of this shift is cation- π bond between N, N-DMT and HCl in the vicinity of the benzene ring.
Dimethyltryptamine ; gastric acid ; cation-π bond ; hydrochloric acid ; FTIR ; Raman
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Podaci o izdanju
Povezanost rada
Biologija, Fizika, Temeljne medicinske znanosti