XIV
h
International Conference on Molecular Spectroscopy, Białka Tatrzańska 2017
238
T2: P–23
The study on molecular structure and microbiological activity of alkali
metal 3,4-dihydroxyphenylycetates
Mariola Samsonowicz
1
, Ewa Regulska
1
, Renata Świsłocka
1
,
and Andrzej Butarewicz2
1
Department of Chemistry, Bialystok University of Technology, Wiejska 45A, Poland,
e-mail: m.samsonowicz@pb.edu.pl
2
Department of Sanitary Biology and Biotechnology, Bialystok University of Technology, Wiejska
45A, Poland
The changes in physical, chemical and biological properties of chemical compounds decide
about their biological activity. In this paper molecular structure of 3,4-dihydroxyphenylacetates
in comparison to 3,4-dihydroxyphenylacetic acid is studied using FT-IR, FT-Raman and UV-
Vis spectroscopy as well as density functional hybrid method (DFT) calculations. The
B3LYP/6-311++G(d,p) method was used to calculate optimized geometrical structures of
studied compounds. The Mulliken, APT, ChelpG and NBO atomic charges, dipole moments and
energies were calculated and the wavenumbers and intensities of the bands in vibrational spectra
were analyzed. Theoretical parameters were compared to experimental characteristic of studied
compounds. Microbiological analysis of studied compounds was performed relative to: Bacillus
subtilis
, Pseudomonas aeruginosa, Escherichia coli and Klebsiella oxytoca. The relationship
between spectroscopic and structure parameters of studied compounds in regard to their activity
was analyzed.
Keywords: 3,4-dihydroxyphenylacetates; spectroscopic study; microbial analysis
Acknowledgment
This work was funded by the National Science Centre (Poland) on the basis of the decision number
DEC2013/11/D/NZ9/02774.
XIV
h
International Conference on Molecular Spectroscopy, Białka Tatrzańska 2017
239
T2: P–24
The effect of chlorpromazine and propionylpromazine on a structure of
poly-l-lysine
Katarzyna Cieślik-Boczula
1
1
Faculty of Chemistry, University of Wroclaw, F. Joliot-Curie 14, 50-383 Wroclaw, Poland,
e-mail: katarrzyna.cieslik@chem.uni.wroc.pl
Phenothiazine molecules, represented by fluphenazine or chlorpromazine molecules, are
recognized by the World Health Organization (WHO) as an indispensable drug for the treatment
of psychotic disorders [1]. However, a side effect, represented by the drug-induced Parkinson’s
disease, seriously limits their clinical use [2]. Parkinson’s disease belongs to neurodegenerative
illness, which are accompanied by the formation of amyloid fibrils. For this reason, the
mechanism of the Parkinson’s-related side effects of phenothiazine molecules can be triggered
by phenothiazine-mediated modifications of fibril development. In order to check this
hypothesis, Fourier-transform infrared (FTIR), vibrational circular dichroism (VCD)
spectroscopy and transmission electron microscopy (TEM) were used in order to study the
structural modifications of poly-L-lysine (PLL) triggered by chlorpromazine (ChP) and
propionylpromazine (PP) molecules. PLL peptide serve as a excellent model of protein
structures, because it can adopt all of the most important secondary protein structures [3, 4].
Furthermore, these conformations can be changed by simple variations in external
environments. It was already state that the long-chain PLL, rich in both α-helix and β-sheet
structures, can form fibrillar self-aggregates [5].
The effect of ChP and PP molecules on the transition of α-helix to antiparallel β-sheet
structures in PLL molecules, represented by fibrillar forms, was studied as a function of
temperature at alkaline aqueous solvents.
Keywords: phenothiazine, transition of α-helix to β-sheets in poly-L-lysine,
Acknowledgment
This work was supported by the National Science Centre, Poland, with the OPUS project
2015/17/B/ST4/03717. Additionally, the author acknowledges the financial support covered by Wroclaw
Centre of Biotechnology, program of the Leading National Research Centre (KNOW) for years 2014–2018.
References
[1] M.J. Ohlow, B. Moosmann, Drug Discov. Today 16 (2011) 119.
[2] A. Jaszczyszyn, K. Gąsiorowski, Mechanizmy chemoprewencyjnego działania nowo syntezowanych
analogów flufenazyny
, Borgis, Wydawnictwo medyczne, Warszaw, Polska, 2006.
[3] S. C. Yasui, T. A. Keiderling, J. Am. Chem. Soc. 108 (1986) 5576.
[4] M. G. Paterlini, T. B. Freedman, L. A. Nafie, Biopolym. 25 (1986) 1751.
[5] K. Cieślik-Boczula, Biochimie 137 (2017) 106.
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