A linear correlation between interaction energy, charge density, and bond length elongation has been observed, highlighting the intricate interplay of these key parameters. To investigate cooperative hydrogen bonding, we have modeled complexes with up to three water molecules. Weak interactions have been...
Knowledge of the three-dimensional (3D) structure of a macromolecular complex is often critical for achieving a detailed understanding of its biological role and of the molecular mechanisms that underlie its functional activity. Traditionally, methods such as X-ray crystallography, Nuclear Magnetic Resona...
Strong correlation effects in QMs are a fascinating and intricate aspect that plays a crucial role in determining their behaviour. These correlation effects emerge due to the strong interactions between electrons within the material, leading to non-trivial behaviours that cannot be understood using class...
Nanotechnology is an interdisciplinary field of science involving designing and synthesizing nanoparticles ranging from 1 to 100 nm in size. These particles at the nanoscale possess a high level of functional specificity, as the chemical, physical, and biological attributes of the material are significan...
However, implementing the principle has been difficult.18 Sulfur's intrinsic insulating qualities prevent electrons from moving freely, which lowers battery performance. Sulphur may produce soluble polysulfides that can migrate away from the cathode as a result of the intricate electrochemical reactions ...
11. Recently these applications have been extended to microscale neural systems to probe the molecular mechanisms underlying wider brain structure and function. For example, in vitro neuron network studies have documented the spontaneous emergence of organized electrophysiological activity in culture12,13,...
This method integrates concepts from systems biology and computational techniques to map intricate networks of interactions within biological systems. By incorporat- ing diverse omics data, network pharmacology provides a comprehensive understanding of the molecular mecha- nisms governing drug action and ...
(Fig.3b). These variety of interactions suggests a strong and stable binding between dihydroergotamine and isocitrate lyase65. The presence of multiple types of bonds indicates a complex and intricate molecular interaction, potentially leading to a more efficient inhibition of the enzyme’s activity66...
At high oxygen vacancy concentrations, a new vacancy- ordered ABO2.5 brownmillerite (BM) structure forms by a topotactic phase transition that amounts to removing 1/6 of the O atoms from the ABO3 perovskite (PV) lattice. The BM structure consists of alternating layers of BO6 ...
This intricate interplay of elements adds a layer of complexity and interest to our understanding of these materials. Moreover, these high Curie temperatures, well above room temperature, suggest that the IrCoTiZ (Z = Si, Sn, Pb) quaternary Heusler alloys are suitable for high-temperature ...