Dissociative electron attachment to gas phase thiothymine: experimental and theoretical approaches

Literature Information

Publication Date 2014-01-20
DOI 10.1039/C3CP54966F
Impact Factor 3.676
Authors

J. Kopyra, S. Freza, M. Marchaj, P. Skurski


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Abstract

In this contribution we have investigated experimentally and theoretically the interaction of low energy electrons with gas phase thiothymine (a sulphur containing analogue of thymine). We observe that the presence of the sulphur atom within thiothymine strongly controls the fragmentation dynamics. With the exception of the (M − H)− anion formation, the most favorable reaction channels are associated with a loss of sulphur containing negative fragments (i.e., the formation of S−, SCN− and (M − S)−) suggesting that these resonances are localized at the CS group. Hence the present results demonstrate that certain reactions can be controlled by substitution of the sulphur atom at specific molecular sites within nucleobases. Our study thus represents a starting point for a physicochemical understanding of the action of sulphur-containing antimetabolites when used in chemoradiotherapy.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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