Results 291 to 300 of about 3,231,427 (376)

Trustworthy Inverse Molecular Design via Alignment with Molecular Dynamics

open access: yesAdvanced Science, EarlyView.
Data‐driven inverse molecular design (IMD) is a promising approach to discovering new molecules with desired properties. Despite the remarkable progress, existing IMD methods lag behind in terms of trustworthiness, as indicated by their misalignment with the ground‐truth function that models the molecular dynamics.
Kevin Tirta Wijaya   +3 more
wiley   +1 more source

Revealing the Hazard of Mild Electrical Abuse on the Safety Characteristics of NaNi1/3Fe1/3Mn1/3O2 Cathode Sodium‐Ion Battery

open access: yesAdvanced Science, EarlyView.
The mechanism of capacity degradation of NaNi1/3Fe1/3Mn1/3O2 (SIBs) under mild electric abuse is revealed. The effect of mild electrical abuse on the thermal characteristics of SIBs is discussed. The degradation path of SIBs under long‐term mild electrical abuse is clarified.
Qinghua Gui   +5 more
wiley   +1 more source

Synthesis and Imaging Validation of [18F]MDL100907 Enabled by Ni-Mediated Fluorination

open access: bronze, 2014
Hongliang Ren   +5 more
openalex   +1 more source

Oxygen Vacancy Formation at Metal‒TiO₂ Interface Yielding Enhanced Photocatalytic Hydrogen Generation

open access: yesAdvanced Science, EarlyView.
In this work, the oxygen vacancy formation is reported at the Au‐TiO2 interface in strong metal‐support interaction (SMSI) photocatalyst. The oxygen vacancies faciliate electron transfer and favor the adsorption of water and methanol at photocatalyst surface, thus enhancing the kinetic of photocatalytic hydrogen generation. The SMSI concept is extended
Vien‐Duong Quach   +12 more
wiley   +1 more source

Novel ATR/PARP1 Dual Inhibitors Demonstrate Synergistic Antitumor Efficacy in Triple‐Negative Breast Cancer Models

open access: yesAdvanced Science, EarlyView.
Novel ATR/PARP1 dual inhibitors are developed for the first time. Advanced lead B8 effectively reduces cell viability in vitro and suppresses tumor growth in vivo, with better potency than ATRi and PARPi alone or in combination. Mechanistically, B8 induces apoptosis, arrests the cell cycle, and inhibits cancer cells colony formation, migration, and ...
Yuan Gao   +13 more
wiley   +1 more source

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