Results 91 to 100 of about 23,732 (310)

Advancing Lithium–Oxygen Batteries: Pioneering Cathode Catalyst Innovation and Artificial Intelligence‐Driven Design Paradigms

open access: yesAdvanced Materials, EarlyView.
This review summarizes the principles and challenges of nonaqueous lithium‐oxygen batteries and recent advances in cathode catalysts, including carbon‐based materials, metals, oxides, sulfides, nitrides, carbides, and redox mediators. It highlights emerging design strategies and artificial intelligence‐driven approaches, emphasizing data‐assisted ...
Yuqing Yao   +8 more
wiley   +1 more source

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

open access: yesAdvanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano   +5 more
wiley   +1 more source

Organoruthenium(II) complexes of acetazolamide potently inhibit human carbonic anhydrase isoforms I, II, IX and XII

open access: yesJournal of Enzyme Inhibition and Medicinal Chemistry, 2019
Two acetazolamide (AAZ) complexes with ruthenium(II) η6-p-cymene chloride were synthesised, characterised and tested for their inhibitory effects on several carbonic anhydrase (CA, EC 4.2.1.1) isoforms with pharmacological applications. Against human (h)
Sara Seršen   +4 more
doaj   +1 more source

Oxidation-Induced Detachment of Ruthenoarene Units and Oxygen Insertion in Bis-Pd(II) Hexaphyrin π-Ruthenium Complexes

open access: yesMolecules, 2020
Two types of new bis-Pd(II) hexaphyrin π-ruthenium complexes are reported. A double-decker bis-Pd(II) hexaphyrin π-ruthenium complex 4 was obtained by oxidation-induced detachment of a ruthenoarene unit from the triple-decker complex 3 and oxygen ...
Akito Nakai   +2 more
doaj   +1 more source

Antibacterial activity of polypiridine arene ruthenium(II) complexes [PDF]

open access: yes, 2021
Few studies concerning antibacterial activity of ruthenium complexes have been published but all of them have been performed on small limited number of strains 1,2. In this study complex 1 ([(η6-toluene)Ru(ppf)Cl]PF6) and complex 2 ([(η6-p-cymene)Ru(ppf)Cl]PF6) where ppf is pyrido[2′,3′:5,6]pyrazino[2,3-f][1,10]phenanthrolinewere investigated as ...
Margetić, Aleksandra   +5 more
openaire   +1 more source

Co1/Ru Single‐Atom Alloy Catalyst for Sustainable Polypropylene Hydrogenolysis to Long‐Chain Liquid Products

open access: yesAdvanced Materials, EarlyView.
A titania‐supported Co1/Ru single‐atom alloy catalyst enables efficient polypropylene hydrogenolysis. Ru─Co─Ru motifs maintain Ru activity while suppressing excessive chain scission to gaseous products. Both virgin and waste plastics achieve high, environmentally and economically optimal C11+ liquid yields, supporting sustainable chemical recycling ...
Yuzhen Ge   +6 more
wiley   +1 more source

Mechanism of aquation and nucleobase binding of ruthenium (II) and osmium (II) arene complexes: A systematic comparison DFT study

open access: yes, 2012
A systematic mechanistic study is reported for the aquation and nucleobase binding process of a series of Ru-II and Os-II arene-based anticancer drug complexes using density functional theory and COSMO implicit solvent model.
Ji, Liangnian   +6 more
core   +1 more source

Engineering CO2 Reduction Pathways via Alloy‐Support Interactions in Li‐CO2 Batteries

open access: yesAdvanced Materials, EarlyView.
Alloy‐support interactions in RuCu/NC induce interfacial charge redistribution and shift d‐band centers, steering CO2 reduction from Li2CO3 to metastable Li2C2O4. This pathway engineering lowers the rate‐determining barrier and suppresses carbonate formation, enabling high discharge voltage (3.23 V) in Li‐CO2 batteries with reduced overpotential (0.50 ...
Liang Sun   +8 more
wiley   +1 more source

Ruthenium(II) polypyridyl complexes as photoredox catalysts

open access: yes, 2018
Visible light photoredox catalysis by transition metal complexes, especially ruthenium(II) polypyridyl complexes, in organic synthesis has attracted growing attention during the last decades.
Iranmanesh, Hasti
core   +1 more source

Atomic Layer Deposition of Metallic Molybdenum Dioxide Thin Films Enabling High‐k Rutile Capacitors

open access: yesAdvanced Materials Interfaces, EarlyView.
The first direct atomic layer deposition (ALD) process of molybdenum dioxide (MoO2) thin films is reported using molybdenum(II) acetate dimer (Mo2(OAc)4) and oxygen (O2) as precursors at 235°C–275°C. The films are crystalline, exceptionally pure, and conductive.
Alexey Ganzhinov   +8 more
wiley   +1 more source

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