Results 111 to 120 of about 11,985 (187)

Machine Learning Paradigm for Advanced Battery Electrolyte Development

open access: yesCarbon Energy, EarlyView.
Electrolyte materials determine ion transport kinetics within the bulk and interphases, ultimately influencing the performance of battery systems. As data‐driven paradigms increasingly reshape materials discovery, this review provides an application‐oriented exploration of the intersection between machine learning and electrolyte science. By evaluating
Chang Su   +4 more
wiley   +1 more source

Unlocking Heterobimetallic Architectures in a Symmetric PNNP Ligand Environment

open access: yesChemistry – A European Journal, EarlyView.
A symmetric PNNP ligand enables the modular assembly of heterobimetallic ZnRu and CoRu complexes from a mononuclear Ru(II) precursor. Ligand deprotonation triggers dearomatization and contraction of the metal–metal distance. Combined DFT and QTAIM analyses reveal metallophilic interaction in CoRu but not in ZnRu, highlighting controllable geometric and
Stanislav Melnikov   +4 more
wiley   +1 more source

Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Linear infrared spectroscopy combined with isotope labeling and density functional theory unravels the origin of a Fermi triad in a multifunctional vibrational chromophore. Ultrafast 2DIR‐spectroscopy reports directly on the dynamics and the intramolecular vibrational energy flow pathways in the isotopically deperturbed system. Abstract Infrared probes
Claudia Gräve   +4 more
wiley   +1 more source

Isoreticular Metal–Covalent Organic Frameworks With Engineered π‐Conjugation for Efficient Photocatalytic Hydrogen Production

open access: yesElectron, EarlyView.
By constructing an isoreticular Cu3‐cluster‐based metal–covalent organic framework platform with systematically tunable π‐conjugation, the physicochemical properties can be finely modulated within a well‐defined structural framework, thereby establishing a precise conjugation–performance correlation to govern the charge separation/transport, and thus ...
Yu‐Qi Zhang   +8 more
wiley   +1 more source

Multiscale proteomic modeling reveals protein networks driving Alzheimer's disease pathogenesis. [PDF]

open access: yesCell
Wang E   +28 more
europepmc   +1 more source

Urolithin A, a Diet‐Derived Gut Microbial Metabolite Against Pulmonary Hypertension Identified via Molecular Docking, Molecular Dynamics and Surface Plasmon Resonance

open access: yesFood Safety and Health, EarlyView.
Urolithin A, a gut microbial metabolite, binds TNF to suppress proliferation, inflammation, and oxidative stress, offering a promising microbe‐derived therapeutic avenue for pulmonary hypertension. ABSTRACT Pulmonary hypertension (PH) is a complex and multifactorial disease that poses a significant clinical challenge.
Yujie Qu   +8 more
wiley   +1 more source

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