Results 171 to 180 of about 205,072 (256)

Artificial Intelligence Predictions in Huge Chemical Spaces: Chiroptical Properties of [6]‐helicene Family

Advanced Science, EarlyView.
This study shows that a local, data‐driven AI model can accurately predict diverse optical and chiroptical properties of [6]helicenes using information from close structural neighbours. Combined with genetic algorithms, it enables inverse design for tailored properties, establishing practical structure–property rules for efficient molecular discovery ...
Rafael G. Uceda, Sandra Míguez‐Lago, Carlos M. Cruz, Boris Pérez‐Cañedo, Alfonso Gijón, Luis Álvarez de Cienfuegos, Antonio J. Mota, Delia Miguel, Juan M. Cuerva   +8 more
wiley   +1 more source

HIV-Induced Apoptosis: Host Defense and Viral Strategy. [PDF]

Biology (Basel)
Chisompola D, Mwansa P, Nzobokela J, Ameka M, Kirabo A, Hinton A, Masenga SK.   +6 more
europepmc   +1 more source

Predictive and Contemporaneous Power of the Determinants of Stock Liquidity. [PDF]

Front Psychol, 2022
Xie L, Jin Y, Mo C.
europepmc   +1 more source

Toward Predictive Theory in Single‐Atom Catalysis

Advanced Science, EarlyView.
A lifecycle‐oriented framework reframes modeling in single‐atom catalysis. By combining ensemble‐based descriptions with explicit validation against experimental observables, the approach defines the scope of theory across catalyst synthesis, activity, stability, and safety, clarifying where quantitative insight is possible and where interpretation ...
Andrea Ruiz‐Ferrando, Sharon Mitchell, Núria López, Javier Pérez‐Ramírez   +3 more
wiley   +1 more source

Analysis of market equilibrium based on overconfidence behavior of market makers. [PDF]

PLoS One
Wang R, Wang J, Yang Z.
europepmc   +1 more source

Selenium‐Based Nanoplatforms: An Emerging Theranostic Paradigm for Gynecological Cancers

Advanced Science, EarlyView.
This reivew summarizes Selenium as a multifunctional anticancer regulator in gynecological cancers. It reduces tumor risk, enhances therapeutic efficacy, and reduces treatment toxicity. Selenium also overcomes chemoraditherapy resistance, improving overall treatment outcomes. ABSTRACT Gynecological cancers present significant therapeutic challenges due
Hejing Liu, Yujia Zhou, Zihan Zhang, Rong Ma, Luyi Ruan, Liqing Miao, Boxin Zhang, Huihui Ji, Tianfeng Chen, Xueqiong Zhu   +9 more
wiley   +1 more source

Data‐Driven Modeling of Composition–Processing–Microstructure Relations for Recycled Aluminum Cast Alloys

Advanced Science, EarlyView.
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang, Waleed Mohammed, Dierk Raabe   +2 more
wiley   +1 more source

Physics‐Constrained Constitutive Learning of Rate‐Limiting Timescales for Efficient Hydrogen‐Based Direct Reduction for Green Steel Making

Advanced Science, EarlyView.
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai, Barak Ratzker, Pasquale Cavaliere, Dierk Raabe   +3 more
wiley   +1 more source

Can peace be engineered? [PDF]

PNAS Nexus
Madhavan G, Donofrio NM, Madni AM.
europepmc   +1 more source

Capacitive versus Faradaic Microelectrodes for Extracellular Stimulation: A Fully Coupled FEM–Hodgkin–Huxley Study of Thresholds and Current Redistribution

Advanced Electronic Materials, EarlyView.
A fully coupled FEM–HH model shows that ideally capacitive microelectrodes can achieve lower charge‐density thresholds than Faradaic contacts under current‐controlled stimulation. The advantage stems from the dynamics of surface current density on capacitive interfaces, which redirects current beneath adherent neurons.
Aleksandar Opančar, Eric Daniel Głowacki, Vedran Đerek   +2 more
wiley   +1 more source