DNA Nucleobase Under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets

Author(s):  
Abderrhamane Semmeq ◽  
Michael Badawi ◽  
Abdellatif Hasnaoui ◽  
Said Ouaskit ◽  
Antonio Monari

<p>The effects of ionizing radiation on DNA constituents is a widely studied fundamental process using experimental and computational techniques. In particular radiation effects on nucleobases are usually tackled by mass spectrometry in which the nucleobase is embedded in a water nanodroplet. Here we present a multiscale theoretical study revealing the effects and the dynamics of water droplets towards neutral and ionized thymine. In particular, by using both hybrid quantum mechanics/ molecular mechanics and fully ab initio molecular dynamics we reveal an unexpected proton transfer from thymine cation to a nearby water molecule. This leads to the formation of a neutral radical thymine and a Zundel structure, while the hydrated proton localizes at the interface between the deprotonated thymine and the water droplet. This observation opens entirely novel perspective concerning the reactivity and further fragmentation of ionized nucleobases.</p>

2020 ◽  
Author(s):  
Abderrhamane Semmeq ◽  
Michael Badawi ◽  
Abdellatif Hasnaoui ◽  
Said Ouaskit ◽  
Antonio Monari

<p>The effects of ionizing radiation on DNA constituents is a widely studied fundamental process using experimental and computational techniques. In particular radiation effects on nucleobases are usually tackled by mass spectrometry in which the nucleobase is embedded in a water nanodroplet. Here we present a multiscale theoretical study revealing the effects and the dynamics of water droplets towards neutral and ionized thymine. In particular, by using both hybrid quantum mechanics/ molecular mechanics and fully ab initio molecular dynamics we reveal an unexpected proton transfer from thymine cation to a nearby water molecule. This leads to the formation of a neutral radical thymine and a Zundel structure, while the hydrated proton localizes at the interface between the deprotonated thymine and the water droplet. This observation opens entirely novel perspective concerning the reactivity and further fragmentation of ionized nucleobases.</p>


2019 ◽  
Vol 66 (7) ◽  
pp. 1557-1565 ◽  
Author(s):  
Shuai Yao ◽  
Wu Lu ◽  
Xin Yu ◽  
Qi Guo ◽  
Chengfa He ◽  
...  

2009 ◽  
Vol 52 (5) ◽  
pp. 1267-1278 ◽  
Author(s):  
Ana Paula Dionísio ◽  
Renata Takassugui Gomes ◽  
Marília Oetterer

Ionizing radiation has been widely used in industrial processes, especially in the sterilization of medicals, pharmaceuticals, cosmetic products, and in food processing. Similar to other techniques of food processing, irradiation can induce certain alterations that can modify both the chemical composition and the nutritional value of foods. These changes depend on the food composition, the irradiation dose and factors such as temperature and presence or absence of oxygen in the irradiating environment. The sensitivity of vitamins to radiation is unpredictable and food vitamin losses during the irradiation are often substantial. The aim of this study was to discuss retention or loss of vitamins in several food products submitted to an irradiation process.


Author(s):  
K. Loganovsky ◽  
◽  
P. Fedirko ◽  
K. Kuts ◽  
D. Marazziti ◽  
...  

Background.Exposure to ionizing radiation could affect the brain and eyes leading to cognitive and vision impairment, behavior disorders and performance decrement during professional irradiation at medical radiology, including interventional radiological procedures, long-term space flights, and radiation accidents. Objective. The objective was to analyze the current experimental, epidemiological, and clinical data on the radiation cerebro-ophthalmic effects. Materials and methods. In our analytical review peer-reviewed publications via the bibliographic and scientometric bases PubMed / MEDLINE, Scopus, Web of Science, and selected papers from the library catalog of NRCRM – the leading institution in the field of studying the medical effects of ionizing radiation – were used. Results. The probable radiation-induced cerebro-ophthalmic effects in human adults comprise radiation cataracts, radiation glaucoma, radiation-induced optic neuropathy, retinopathies, angiopathies as well as specific neurocognitive deficit in the various neuropsychiatric pathology including cerebrovascular pathology and neurodegenerative diseases. Specific attention is paid to the likely stochastic nature of many of those effects. Those prenatally and in childhood exposed are a particular target group with a higher risk for possible radiation effects and neurodegenerative diseases. Conclusions. The experimental, clinical, epidemiological, anatomical and pathophysiological rationale for visual system and central nervous system (CNS) radiosensitivity is given. The necessity for further international studies with adequate dosimetric support and the follow-up medical and biophysical monitoring of high radiation risk cohorts is justified. The first part of the study currently being published presents the results of the study of the effects of irradiation in the participants of emergency works at the Chornobyl Nuclear Power Plant (ChNPP). Key words: ionizing radiation, cerebroophthalmic effects, neurocognitive deficit, radiation accident, radiation cataracts, macular degeneration.


2014 ◽  
Vol 29 (2) ◽  
pp. 116-122 ◽  
Author(s):  
Marija Obrenovic ◽  
Djordje Lazarevic ◽  
Edin Dolicanin ◽  
Milos Vujisic

This paper deals with the flash memory reliability in terms of the ionizing radiation effects. In fact, the reliability of flash memory depends on physico-chemical restrictions of electrostatic nature due to the effects of ionizing radiation. The presented results are actual as a high degree of integrated components miniaturization affects the memory sensitivity, while the role of memories in the solar cells management system for space flights is increasing, so that the effects of ionizing radiation may cause changes in the stored data or the physical destruction of the flash memory components.


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