The oxidation kinetics of hematite α-Fe2O3(0001) surfaces are vital for its applications in catalysis, environmental remediation, and industrial processes. Despite prior studies, the roles of temperature, oxygen partial pressure, and oxygen chemical potential in controlling nucleation and growth kinetics are not fully understood. Using real-time Low Energy Electron Microscopy/Diffraction (LEEM/LEED), we systematically investigate the oxidation of a reduced Fe3O4(111)-like surface layer to hematite under controlled conditions. We show that complete recovery of the hematite surface termination is closely linked to the nucleation and lateral growth of a two-dimensional honeycomb (H) phase. H-phase nucleation and growth do not follow standard Arrhenius kinetics. A set of experiments comprising oxidation at constant oxygen partial pressure, constant temperature, and constant chemical potential, while varying temperature, pressure, or both, indicates that oxygen supply limits the H-phase growth rate. Under constant oxygen partial pressure p O2, increasing the temperature accelerates nucleation but decelerates the growth rate of the H-phase. The growth dramatically slows for p O2 < ∼2 × 10-6 mbar. Keeping the oxygen chemical potential constant, i.e., regulating both p O2 and temperature to keep the thermodynamic driving force provides increasing growth rates with increasing temperature only if p O2 > ∼2 × 10-6 mbar. Our study thus elucidates the interplay between thermodynamics and kinetics in hematite surface oxidation, informing strategies to optimize surface properties for catalytic and industrial processes.

ERK1, also referred to as Mitogen-activated protein kinase 3 (MAPK3), is part of the MAP kinase family and functions as a serine/threonine kinase. It plays a crucial role in the Ras-Raf-MEK-ERK signaling pathway, which is responsible for regulating a wide range of cellular processes such as cell proliferation, differentiation, and progression through the cell cycle in response to various external signals. ERK1(MAPK3) is implicated in the initiation, advancement, metastasis, drug resistance, and unfavorable prognosis in several types of cancers, including glioma, liver, ovarian, thyroid, lung, breast, gastric, and oral cancers and ERK1 (MAPK3) emerges as a promising therapeutic target. An extensive strategy was employed to identify potential inhibitors targeting ERK1. This involved conducting docking simulations using 3,674 FDAapproved drugs, with the aim of discovering compounds with enhanced affinity compared to current medications. Through a meticulous screening process, candidates were narrowed down. Subsequent Swiss ADME analysis was then conducted to evaluate the physiochemical properties, bioavailability, gastrointestinal absorption, and solubility of the chosen ligands. Among the drugs scrutinized, one particular compound emerged as a promising candidate for ERK1 inhibition. The selection process considered not just binding affinity but also crucial physiochemical characteristics essential for effective drug development. This comprehensive methodology integrates molecular docking with a broad library of FDA-approved drugs and advanced ADME analysis, significantly increasing the chances of discovering a drug with therapeutic potential. Such an integrated approach holds significant promise in identifying novel ERK1(MAPK3) inhibitors, providing a solid foundation for further preclinical and clinical investigations.

Abstract Hematite is a common iron oxide found in nature, and the α‐Fe2O3(0001) plane is prevalent on the nanomaterial utilized in photo‐ and electrocatalytic applications. The atomic‐scale structure of the surface remains controversial despite decades of study, partly because it depends on sample history as well as the preparation conditions. Here, a comprehensive study is performed using an arsenal of surface techniques (non‐contact atomic force microscopy, scanning tunneling microscopy, low‐energy electron diffraction, and X‐ray photoemission spectroscopy) complemented by analyses of the near surface region by high‐resolution transmission electron microscopy and electron energy loss spectroscopy. The results show that the so‐called “bi‐phase” termination forms even under highly oxidizing conditions; a (1 × 1) surface is only observed in the presence of impurities. Furthermore, it is shown that the biphase is actually a continuous layer distorted due to a mismatch with the subsurface layers, and thus not the proposed mixture of FeO(111) and α‐Fe2O3(0001) phases. Overall, the results show how combining surface and cross‐sectional imaging provides a full view that can be essential for understanding the role of the near‐surface region on oxide surface properties.

Hematite α-Fe_2O_3(0001) is the most-investigated iron oxide model system in photo and electrocatalytic research. The rich chemistry of Fe and O allows for many bulk and surface transformations, but their control is challenging. This has led to controversies regarding the structure of the topmost layers. This comprehensive study combines surface methods (nc-AFM, STM, LEED, and XPS) complemented by structural and chemical analysis of the near-surface bulk (HRTEM and EELS). The results show that a compact 2D layer constitutes the topmost surface of α-Fe_2O_3(0001); it is locally corrugated due to the mismatch with the bulk. Assessing the influence of naturally-occurring impurities shows that these can force the formation of surface phases that are not stable on pure samples. Impurities can also cause the formation of ill-defined inclusions in the subsurface and modify the oxidation phase diagram of hematite. The results provide a significant step forward in determining the hematite surface structure that is crucial for accurately modeling catalytic reactions. Combining surface and cross-sectional imaging provided the full view that is essential for understanding the evolution of the near-surface region of oxide surfaces under oxidative conditions.