mass-spectrometry-congress-2019-scientifictracks

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May 20-21, 2019 | Rome, Italy

OF EXCELLENCE

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YEARS

Journal of Chemical Technology and Applications | Volume 3

MASS SPECTROMETRY,

PROTEOMICS AND POLYMER CHEMISTRY

International Conference on

Mass Spectrometry Congress 2019

A STUDY ON THE INFLUENCE OF WATER ON THE L-LEUCINE FRAGMENTATION

Baliulyte L

and

Tamuliene J

Vilnius University, Lithuania

ll living organisms are constantly affected by ionizing radiation emitted by natural sources such as cosmic

rays and radionuclides contained in rocks from the Earth, food, water and air etc. Moreover, ionizing radi-

ation exposures also occurs during medical procedures. Low-energy electrons are produced due to the inter-

action of X- and Υ rays with organic molecules. These low-energy electrons cause damage of biomolecules, in-

cluding amino acids, e.g., Leucine. Data on fragmentation of amino acids in water are scarce, although they are

relevant to the analysis of processes in living organisms. Hence, the aim of the author’s research is to determine

whether the appearance energies of fragments differ between conditions with and without the influence of

water included. They used density functional theory (DFT) B3LYP method and cc-pVTZ basis set. The polarized

continuum model (PCM) method was used to evaluate the presence of water. They applied Gaussian 03 Rev

D.01/09 Rev D.01 program. Fragments were selected based on the experimental mass spectrometry data in the

NIST database. The strongest peaks in the mass spectrum of L-leucine correspond to m=86 amu, 44 amu and 30

amu. They determined that cation with mass 86 amu is C5H12N+, cation with mass 44 amu is CO2+ and cation

with mass 30 amu- CH4N+. The results of author’s research with and without the influence of water indicate

that more energy is needed for the formation of same cations in water.

Baliulyte L et al., J Chem Tech App 2019, Volume 3

Laura Baliulyte is a PhD student at the Institute of Biosciences, Life Sciences Center, Vilnius University, Lithuania. Her area of research

mainly focuses on theoretical modelling of amino acids fragmentation, biochemical reactions and biophysical processes. She is the

co-author of several articles.

BIOGRAPHY