胸腺嘧啶
化学
水溶液
鸟嘌呤
尿嘧啶
生物分子
胞嘧啶
碱基
DNA
电子
化学物理
双水相体系
分析化学(期刊)
计算化学
物理化学
物理
有机化学
核苷酸
基因
量子力学
生物化学
作者
Smruti Parikh,Chetan Limbachiya
出处
期刊:ChemPhysChem
[Wiley]
日期:2024-01-23
卷期号:25 (7): e202300916-e202300916
被引量:8
标识
DOI:10.1002/cphc.202300916
摘要
Abstract Electron driven chemistry of biomolecules in aqueous phase presents the realistic picture to study molecular processes. In this study we have investigated the interactions of electrons with the DNA constituents in their aqueous phase in order to obtain the quantities useful for DNA damage assessment. We have computed the inelastic mean free path (IMFP), mass stopping power (MSP) and absorbed dose (D) for the DNA constituents (Adenine, Cytosine, Guanine, Thymine and Uracil) in the aqueous medium from ionisation threshold to 5000 eV. We have modified complex optical potential formalism to include band gap of the systems to calculate inelastic cross sections which are used to estimate these entities. This is the maiden attempt to report these important quantities for the aqueous DNA constituents. We have compared our results with available data in gas and other phase and have observed explicable accord for IMFP and MSP. Since these are the first results of absorbed dose (D) for these compounds, we have explored present results vis‐a‐vis dose absorption in water.
科研通智能强力驱动
Strongly Powered by AbleSci AI