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Title:Vpliv mikrovalov na stabilnost dvojne vijačnice DNK: računalniški pristop
Authors:ID Veselič, Uroš (Author)
ID Bren, Urban (Mentor) More about this mentor... New window
Files:.pdf MAG_Veselic_Uros_2017.pdf (4,81 MB)
MD5: E218854BA6027FBA52629D8DCE0A49B9
PID: 20.500.12556/dkum/93f77dec-ec79-4640-9b64-65f9f750b5b2
 
Language:Slovenian
Work type:Master's thesis/paper
Typology:2.09 - Master's Thesis
Organization:FKKT - Faculty of Chemistry and Chemical Engineering
Abstract:Vplivi sodobne tehnologije na vsakdanjik človeka so že dalj časa tema številnih znanstvenih raziskav z različnih področij. Ne moremo zanikati, da sodobne tehnologije izredno pripomorejo k razumevanju sveta okoli nas in nam v veliko primerih olajšajo in rešujejo življenje. Poleg koristi, ki jih prinaša sodobna tehnologija, pa je potrebno ovrednotiti tudi njene morebitne stranske učinke oziroma neželjene posledice uporabe sodobne tehnologije v vsakdanjem življenju. Mikrovalovno valovanje je nedvomno pomemben del sodobne tehnike v obliki mobilne telefonije, brezžičnih omrežij, radarjev, satelitov in GPS naprav. V zadnjih letih je bilo opravljenih veliko študij na temo vpliva mikrovalov na človeka in okolje. V sklopu magistrskega dela smo z računalniškim pristopom ugotavljali, ali elektromagnetno valovanje v območju mikrovalov vpliva na stabilnost dvojne vijačnice DNK. S simulacijami molekulske dinamike izbranega segmenta DNK v vodni razopini z razklopom temperature sistema na translacijsko in rotacijsko temperaturo smo ugotavljali, ali imajo mikrovalovi sposobnost povečati (ne)stabilnost v dvojni vijačnici DNK oziroma celo povzročiti popoln razpad dvojne vijačnice. Po izsledkih dosedanjih študij na temo mikrovalov razlog za destabilizacijo dvojne vijačnice DNK tiči v tem, da mikrovalovi vzbudijo rotacijsko gibanje polarnih molekul vode, kar pa zmanjša senčenje elektrostatskega odboja med dvema negativno nabitima komplementarnima verigama DNK. S tem se po poročanju dosedanjih raziskav tako poveča možnost razpada verige in s tem tudi potencial za morebitne spremembe dednega materiala v celicah, kar zaradi sprememb v sintezi in strukturi molekule DNK lahko privede celo do nastanka rakavih obolenj. Analiza rezultatov simulacij molekulske dinamike je pokazala, da mikrovalovi v 10 ns časovnem okvirju niso imeli istega vpliva na stabilnost fragmenta DNK kot konvencionalno termično gretje. Analiza rezultatov je pokazala, da je fragment pri simulacijah mikrovalovnega gretja ostal v bolj stabilnem stanju kot pri termičnem gretju.
Keywords:Mikrovalovi, DNK, molekulska dinamika, ločeni termostati
Place of publishing:Maribor
Publisher:[U. Veselič]
Year of publishing:2017
PID:20.500.12556/DKUM-67588 New window
UDC:615.849:54.022(043.2)
COBISS.SI-ID:21035286 New window
NUK URN:URN:SI:UM:DK:TZ32EATM
Publication date in DKUM:14.09.2017
Views:1955
Downloads:211
Metadata:XML DC-XML DC-RDF
Categories:KTFMB - FKKT
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Licences

License:CC BY-NC-ND 4.0, Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
Link:http://creativecommons.org/licenses/by-nc-nd/4.0/
Description:The most restrictive Creative Commons license. This only allows people to download and share the work for no commercial gain and for no other purposes.
Licensing start date:23.08.2017

Secondary language

Language:English
Title:The influence of microwave irradiation on the stability of double-stranded DNA: a computational approach
Abstract:The influence of modern technology on our everyday lives has been a topic of a number of scientific papers. We cannot deny that modern techologies contribute a great deal to our understanding of the world and make our lifes easier in so many ways. However, despite all the benefits that modern techonolgy brings we have to consider possible unwanted side effects and consicuences of this techonolgy on our everyday live. Microwaves are undoubtely applied in the most important achievements of modern techonolgy like radars, satellites, mobile technology, wireless networks and GPS devices. In recent years, there has been quite a lot of studies reporting the effects of microwaves on people and environment in recent years. In our study we have been investigating the influence of microwave irradiation on the stability of double-stranded DNA using a computational approach. We have used molecular dynamics simulations with separate thermostates for rotational and translational degrees of freedom to examine whether microwaves decrease the stability of double stranded DNA or even induce a total destruction of the double helix. So far, studies have showed that the reason behind the instability of the DNA when exposed to microwave irradiation lies in the increased rotational temperature of the water molecules which in turn decreases the shielding of electrostatic charges of the negatively charged chains of double-stranded DNA and hence increases the potential of possible deffects in the genetic material of the cells and can due to changes in synthesis and structure of the DNA molecule lead even to carcinogenesis. The analysis of our results of 10 ns molecular dynamics simulations showed that microwave irradiation did not have the same influence on the stability of the DNA fragment as did conventional thermal heating. Analysis showed that the fragment remained in a more stable state when exposed to microwave irradiation than in simulations of conventional thermal heating.
Keywords:Microwaves, DNA, molecular dynamics, seperate thermostats


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