Results 251 to 260 of about 4,874,213 (359)

Electrosynthesis of Bioactive Chemicals, From Ions to Pharmaceuticals

open access: yesAdvanced Functional Materials, EarlyView.
This review discusses recent advances in electrosynthesis for biomedical and pharmaceutical applications. It covers key electrochemical materials enabling precise delivery of ions and small molecules for cellular modulation and disease treatment, alongside catalytic systems for pharmaceutical synthesis.
Gwangbin Lee   +4 more
wiley   +1 more source

‘Oxygen Bound to Magnesium’ as High Voltage Redox Center Causes Sloping of the Potential Profile in Mg‐Doped Layered Oxides for Na‐Ion Batteries

open access: yesAdvanced Functional Materials, EarlyView.
Na‐ion batteries ‐ Impact of doping on the oxygen redox: The sloping potential of NaMg0.1Ni0.4Mn0.5O2 above 4.0 V is caused by a new redox center (arising from the ‘O bound to Mg’), having a higher potential but being more irreversible compared to the ‘O bound to Ni’.
Yongchun Li   +12 more
wiley   +1 more source

Binding patterns and structural dynamics of Brucea javanica bioactives as anti-diabetic leads: integrative insights from network-based analysis, fragment molecular orbital, and molecular dynamics simulations

open access: green
Arwansyah, Arwansyah   +6 more
openalex   +1 more source

LOWDIN: The any particle molecular orbital code

open access: yes, 2014
R. Flores-Moreno   +8 more
semanticscholar   +1 more source

Tuning the Electronic Structure and Spin State of Fe─N─C Catalysts Using an Axial Oxygen Ligand and Fe Clusters for High‐Efficiency Rechargeable Zinc–Air Batteries

open access: yesAdvanced Functional Materials, EarlyView.
A FeN4─O/Clu@NC‐0.1Ac catalyst containing atomically‐dispersed FeN4─O sites (medium‐spin Fe2+) and Fe clusters delivered a half‐wave potential of 0.89 V for ORR and an overpotential of 330 mV at 10 mA cm−2 for OER in 0.1 m KOH. When the catalyst was used in a rechargeable Zn–air battery, a power density of 284.5 mW cm−2 was achieved with excellent ...
Yongfang Zhou   +8 more
wiley   +1 more source

Atomically Revealing Bulk Point Defect Dynamics in Hydrogen‐Driven γ‐Fe2O3 → Fe3O4 → FeO Transformation

open access: yesAdvanced Functional Materials, EarlyView.
In situ TEM uncovers the atomic‐scale mechanisms underlying hydrogen‐driven γ‐Fe2O3→Fe3O4→FeO reduction. In γ‐Fe2O3, oxygen vacancies cluster around intrinsic Fe vacancies, leading to nanopore formation, whereas in Fe3O4, vacancy aggregation is suppressed, preserving a dense structure.
Yupeng Wu   +14 more
wiley   +1 more source

Binding Free Energy Calculation Based on the Fragment Molecular Orbital Method and Its Application in Designing Novel SHP-2 Allosteric Inhibitors. [PDF]

open access: yesInt J Mol Sci
Yuan Z   +14 more
europepmc   +1 more source

Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability

open access: green, 2016
Benjamin Meyer   +4 more
openalex   +2 more sources

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