Phenalenyls as tunable excellent molecular conductors and switchable spin filters

Phenalenyl-based radicals are stable radicals whose electronic properties can be tuned readily by heteroatom substitution. We employ density functional theory-based non-equilibrium Green’s function (NEGF-DFT) calculations to show that this class...

Triplet state (anti)aromaticity of some monoheterocyclic analogues of benzene, naphthalene and anthracene

By employing DFT calculations, we show the influence of heteroatom substitution on the triplet state (anti)aromaticity of benzene, naphthalene and anthracene.

Recent Advances in the Chemical Synthesis and Evaluation of Anticancer Nucleoside Analogues

Nucleoside analogues have proven to be highly successful chemotherapeutic agents in the treatment of a wide variety of cancers. Several such compounds, including gemcitabine and cytarabine, are the go-to option in first-line treatments. However, these materials do have limitations and the development of next generation compounds remains a topic of significant interest and necessity. Herein, we discuss recent advances in the chemical synthesis and biological evaluation of nucleoside analogues as potential anticancer agents. Focus is paid to 4′-heteroatom substitution of the furanose oxygen, 2′-, 3′-, 4′- and 5′-position ring modifications and the development of new prodrug strategies for these materials.

Modulating electron transport through single-molecule junctions by heteroatom substitution

Heteroatom substitutions in phenyl-based molecules are used to modulate electron transport at the single molecular level measured by STM-BJ.