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Development and testing of computer models of phospholipid membranes
Nencini, Ricky ; Jungwirth, Pavel (advisor) ; Předota, Milan (referee)
Molecular dynamics simulations are an important tool for the study of biological systems, such as biomembranes. The missing electronic polarization in classical non- polarizable force fields, however, produces significant inaccuracies in the interactions of membranes with charged particles, such as ions. In this work, we implement the missing electronic polarization effects into CHARMM36 force field for phospatidylcholine lipids. This implementation is done in the mean field way by using electronic continuum correction (ECC) model. We will validate the strength of ion-membrane interactions using the electrometer concept. This concept connects the response of choline order parameters of lipid molecules with the amount of charge present in the surface of the membrane. Keywords: phosphatydylcholine, calcium ions, sodium ions, electronic continuum cor- rection, electrometer concept 1
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Metabolism adaptation to excercise
Nencini, Ricky ; Šulc, Miroslav (advisor) ; Stiborová, Marie (referee)
Skeletal muscles are remodeled in response to chronic exercise training. Training induces adaptations, which can be reflected by changes in contractile protein functi- ons, mitochondrial amount and functions and also in specific enzyme activity. Due to extensive training muscle proteins and enzymes permeate through sarcoplasm and can be detected at blood plasma. Six male rowers, 19,6 ˘ 2,1 years old (trained), six sedentary men, 20,2 ˘ 1,8 years old (untrained) were included within this report. Except mentioned groups, two individual clinical cases: one male user of androsten, 28 years old, and one male user of erythropoetin (EPO), 32 years old, were also included at this theses. To report any species influence, the groups (five females per group) of two domestic animal species (cow, pig) with different treatment (housed, outdoor) were also included. Blood concentration of erythrocytes, blood plasma concentration of proteins, acti- vity of lactatedehydrogenase (LDH), malatedehydrogenase (MDH) and enoyl-CoA- hydratase were measured as well as quantitative pattern of LDH izoenzymes. The only one difference for man was observed: a significantly higher concentration of plasma protein for untrained group. On the other hand, the outdoors cows had a significantly higher concentration of erythrocytes and activity...
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