Results 191 to 200 of about 1,994,731 (278)

Learning-to-rank for ligand-based virtual screening

Learning-to-rank for ligand-based virtual screening
identifier:oai:t2r2.star.titech.ac.jp ...
openaire  

Localized High‐Concentration Electrolyte with Water‐Miscible Diluent Enables Stable Zinc Deposition and Long‐Life Aqueous Zinc Metal Batteries

Advanced Functional Materials, EarlyView.
A diisopropyl ether (DIPE)‐based, localized, high‐concentration electrolyte is developed to stabilize both electrodes in aqueous zinc batteries. By reducing water activity and promoting anion‐rich zinc‐ion solvation, it builds robust interphases at both the cathode and anode, ensuring uniform deposition, suppressed corrosion, and highly reversible ...
Yuxuan Wu, Ziwei Zhao, Yue Fei, Hao Zhang, Ge Li   +4 more
wiley   +1 more source

Mechanistic Insights into a Synergistic FeOx/Fe‐N4 System for Practical Nitrate Abatement with Value‐Added Ammonia Recovery

Advanced Functional Materials, EarlyView.
This work provides a novel interpretation of the nitrate reduction mechanism on iron oxides (FeOx) by employing constant‐potential density functional calculations and reports the design and synthesis of a robust and high‐performance Fe3O4/Fe‐N4‐C catalyst with remarkable Faradaic efficiency, current density, and stability under practical reaction ...
Qiang Zhou, Hongzhi Liu, Shenglin Liu, Yuwei Liu, Mamiko Nakabayashi, Yunlong Xie, Naoya Shibata, Feng Gong, Jean‐Jacques Delaunay   +8 more
wiley   +1 more source

The Effects of Bone-Remodeling Therapy on Survival, Pain, and Skeletal Related Events in the Setting of Renal Cell Carcinoma With Bone Metastases: A Multicenter Investigation From a Large Global Health Research Network (TriNetX). [PDF]

Cancer Med
Im BH, Zarrabi KK, Hochberg AR, Shah MS, Mark JR, Izes JK, Gomella PT, Lallas CD, Gomella LG, Metwalli AR.   +9 more
europepmc   +1 more source

Multipurpose Transparent Nanocomposites for Gamma Spectroscopy, Pulse Shape Discrimination, Thermal Neutron Detection, Radiation Shielding, and High Refractive Index Applications

Advanced Functional Materials, EarlyView.
Materials exist that are useful for gamma scintillation, radiation shielding, neutron‐gamma pulse shape discrimination (PSD), thermal neutron detection, or high refractive index applications. While certain materials have exhibited optimal performance for each of these applications, none achieve multiple functions.
Isabelle Winardi, Stephane Miaule, Robert Carmichael, Bowen Sun, Ziqing Han, Prabhav Surabhi, Zhen Luo, Noelan Hum, David Prout, Yi‐An Chen, Ting‐Hsuan Wu, Hao Yu, Arion Chatziioannou, Qibing Pei   +13 more
wiley   +1 more source

Selective Separation of the Rare Earth Elements Dysprosium and Neodymium via Tailoring Nanocellulose Chemical Structure

Advanced Functional Materials, EarlyView.
Dicarboxylate‐modified anionic hairy cellulose nanocrystals exhibit a high selectivity for dysprosium(III) over neodymium(III). This selectivity arises from disordered dicarboxylate cellulose “hairs” that enable cooperative ionic coordination, hydrogen bonding, and strain‐induced conformational shrinkage.
Roya Koshani, Shang‐Lin Yeh, Karuna Anna Sajeevan, Mica L. Pitcher, Dawson Alexander, Ratul Chowdhury, Amir Sheikhi   +6 more
wiley   +1 more source

Ultrastable Photoactive Halide Perovskite Nanocrystal‐Sensitized SnO2 Nanorods for Room‐Temperature NO2 Detection

Advanced Functional Materials, EarlyView.
ABSTRACT Metal oxide (MOx)‐based NO2 gas sensors typically require high temperatures or ultraviolet light, limiting their practical use. To enable visible‐light activation at room temperature, efficient and stable photosensitizers should be integrated with nanostructured MOx hosts.
Yeonji Yuk, Dokyum Kim, Jun‐Cheol Park, Yoonsung Jung, Inhyeok Oh, Donghyeon Lee, Yejoon Kim, Ji‐Eun Yeo, Young Min Song, Chang‐Lyoul Lee, Sanghan Lee   +10 more
wiley   +1 more source

Exciton‐Polaritons in Nanoscale Metal‐Organic Frameworks: A Platform for the Reversible Modulation of Strong Light‐Matter Coupling via the Chemical Environment

Advanced Functional Materials, EarlyView.
Strong exciton‐photon coupling is achieved by integrating porphyrin ligand‐based MOF nanoparticles in optical cavities, as evidenced by pronounced polariton branch anticrossing. The porous nature of the resonator enables precise, reversible tuning via vapor pressure, unlocking unprecedented chemical‐environment controlled dynamic polaritonic platforms ...
Beatriz de Sola‐Báez, Laura Caliò, Mauricio E. Calvo, Juan F. Galisteo‐López, Jesús Hernández‐Saz, Miriam Herrera‐Collado, Carolina Carrillo‐Carrión, Hernán Míguez   +7 more
wiley   +1 more source

IRIS: A Machine Learning-Based Pose Reranking Tool for RNA-Ligand Docking. [PDF]

ACS Omega
Amburn JA, J Rukmani S, Parks JM, Smith JC.   +3 more
europepmc   +1 more source

Bio‐Inspired Molecular Events in Poly(Ionic Liquids)

Advanced Functional Materials, EarlyView.
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley   +1 more source