Hydrogen bonds are a complex interplay between different energy components, and their
nature is still subject of an ongoing debate. In this minireview, we therefore provide an …

Abstract Nickel (II), copper (II) and zinc (II) complexes with the same ligands normally display
analogous coordination geometry and binding mode toward DNA. However, although …

Mixed-halide perovskite provides band-gap tunability, which is essential for tandem solar
cell application. However, ion migration inducing phase segregation seriously affects the …

We show that the cooperative reinforcement between hydrogen bonds in guanine quartets is
not caused by resonance‐assisted hydrogen bonding (RAHB). This follows from extensive …

Interaction energies computed with density functional theory can be divided into physically
meaningful components by symmetry-adapted perturbation theory (DFT-SAPT) or the …

G-Quadruplex (GQ) is a secondary structural unit of DNA, formed at the telomere region of
the chromosome with a high guanine content. It is reported that the GQs can hinder many …

The evaluation of N′-(pyridin-2-ylmethylene) nicotinohydrazide (HLI) and N, N′′′-bis (1-
(pyridin-2-yl)-ethylidene) carbazide (H2LII) as linker precursors in the synthesis of novel PbII …

The secondary electrostatic interaction (SEI) model is often used to predict and explain
relative hydrogen bond strengths of self-assembled systems. The SEI model oversimplifies …

The alkali metal ion affinity of guanine quadruplexes has been studied using dispersion-
corrected density functional theory (DFT-D). We have done computational investigations in …

This work provides new insights from our team regarding advances in targeting canonical
and non-canonical nucleic acid structures. This modality of medical treatment is used as a …