The thermodynamics of ferric and ferrous haem affinity of a de novo designed four-alpha-helix bundle protein and the associated haem electrochemistry is described.

The oxidative degradation of lignin into a variety of valuable products has been under investigation since the first half of the last century. Especially, the chance to claim this cheap, abundant and renewable source for the production of the important aroma chemical vanillin (1) was one of the major driving forces of lignin research. So far most of the developed methods fail in technical appli...

Electrochemical processes underlie the functioning of electrochemical devices for energy storage and conversion. In this paper, electrochemoinformatics is defined as a scientific discipline, part computational electrochemistry, dealing with application information technologies, specifically data science, machine learning (ML), artificial intelligence, to solve problems related processes, includ...

Abstract A new compound ( 1 ) formed by two antiparallelly disposed tetracyano thienoquinoidal units has been synthesized and studied electrochemistry, UV/Vis‐NIR, IR, EPR, transient spectroscopy. Self‐assembly of on a Au(111) surface investigated scanning tunneling microscopy. Experiments have rationalized quantum chemical calculations. exhibits unique charge distribution in its anionic form, ...

We have applied molecular dynamics and methods of importance sampling to study structure and dynamics of liquidwater in contact with metal surfaces. The specific surfaces considered resemble the 100 and 111 faces of platinum. Several results emerge that should apply generally, not just to platinum. These results are generic consequences of water molecules binding strongly to surfaces that are i...

Electrochemistry and adlayer structure of trinitrotoluene (TNT) on an Au(111) electrode were investigated using cyclic voltammetry and in situ electrochemical scanning tunneling microscopy (ECSTM).

Four rhenium(I) chromophores attached to a dirhodium(n) core form a new hexametallic light-harvesting assembly as characterised by X-ray crystallography, UV-vis spectroscopy and electrochemistry.