Results 231 to 240 of about 148,467 (378)

Resonant Dative Bonds. [PDF]

Angew Chem Int Ed Engl
Kozuch S.
europepmc   +1 more source

Graph‐Theory Approach to Element Miscibility and Alloy Design

Advanced Science, EarlyView.
Graph and network theory enables pathway toward complex multiscale interactions between different elements for alloy design or interface engineering. Utilizing element's inherent properties and preferential interactivity, favorable mixed material formation, solubility and miscibility can be predicted.
Andrew Martin, Kien Nguyen, Sebastian Zaatini, Michael Lastovich, Bharat Gwalani, Paul Bogdan, Martin M. Thuo   +6 more
wiley   +1 more source

Unsupervised Hierarchical Symbolic Regression for Interpretable Property Modeling in Complex Multi‐Variable Systems

Advanced Science, EarlyView.
UHSR translates complex chemical behavior into clear and explainable equations. Applied to thin‐layer chromatography, it automatically uncovers the mathematical rules linking a molecule's structure to its polarity. This approach matches the accuracy of advanced AI while providing interpretable results, earning greater trust from chemists. The method is
Siyu Lou, Chengchun Liu, Dongxiao Zhang, Yuntian Chen, Fanyang Mo   +4 more
wiley   +1 more source

Engineering Carbons by Elemental Doping and Processing Procedures for Design of Functional Materials. [PDF]

Small
Shao Y, Pang K, Wang H, Yuan J.
europepmc   +1 more source

Regioisomeric Effects on Enhancing p‐Type Characteristics of Self‐Assembled Molecules in Inverted Perovskite Solar Cells

Advanced Science, EarlyView.
Regioisomeric effects are a critical design parameter in self‐assembled monolyaer (SAM) engineering, underscoring their importance for optimizing buried interface properties and advancing the performance and stability of inverted perovskite solar cells.
Myeong‐Ho Hong, Sanwan Liu, Seong Chan Cho, Seung‐Joo Chang, Sang Uck Lee, Nam‐Gyu Park   +5 more
wiley   +1 more source

Cytogenotoxic Effects and Physicochemical and Molecular Profiles of Eugenol-Derived Triazoles With Phytotoxic Potential. [PDF]

Chem Biodivers
Alves TA, Alves TA, Gazolla PAR, Lima ÂMA, de Oliveira MB, Belarmino WDS, Sena CL, Teixeira RR, Werner ET, Campos OS, Costa AV, Praça-Fontes MM.   +11 more
europepmc   +1 more source

High‐Conductivity Electrolytes Screened Using Fragment‐ and Composition‐Aware Deep Learning

Advanced Science, EarlyView.
We present a new deep learning framework that hierarchically links molecular and functional unit attributions to predict electrolyte conductivity. By integrating molecular composition, ratios, and physicochemical descriptors, it achieves accurate, interpretable predictions and large‐scale virtual screening, offering chemically meaningful insights for ...
Xiangwen Wang, Muyang Chen, Gengyi Bao, Yan Lai, Jinghe Cao, Xinhua Liu, Rui Tan   +6 more
wiley   +1 more source

Design, synthesis, and evaluation of quinoxaline-based survivin inhibitors for castration-resistant prostate cancer. [PDF]

Bioorg Chem
Cui Q, Huang C, Zheng X, Dong Z, Liu JY, Zhang JT.   +5 more
europepmc   +1 more source

On the vertical distribution of boundary layer halogens over coastal Antarctica: implications for O₃, HO_x, NO_x and the Hg lifetime

, 2007
Alfonso Saiz‐Lopez, J. M. C. Plane, A. S. Mahajan, P. S. Anderson, Stéphane Bauguitte, A. E. Jones, H. K. Roscoe, R. A. Salmon, W. J. Bloss, J. D. Lee, D. E. Heard   +10 more
openalex   +1 more source

Ion‐Confinement‐Assisted Erasure Purifies Oxidized MXene for Reuse

Advanced Science, EarlyView.
An erasure‐purification strategy removes surface‐derived TiO2 from oxidized Ti3C2Tx MXene by ion‐confinement‐induced interfacial conversion to soluble titanates, followed by brief acid washing. The scalable process enables approximately 70% material recovery, restores electrical conductivity, and recovers functional performance, including high ...
Xuefeng Zhang, Yujia Wu, Huayu Xu, Jinyi Ye, Yanfang Yang, Haohan Wu, Jiayi Lu, Hao Li, Dongxiao Kan, Jingfeng Wang, Hui Kang, Zhimin Fan   +11 more
wiley   +1 more source