Results 171 to 180 of about 3,006,412 (323)

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

Advanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan, Tian Zhang, Jiawei Dong, Yubao Xie, Kaifeng Zhong, Wei Guan, Haiqiao Wei, Changcheng Fu, Yaqiong Su   +8 more
wiley   +1 more source

Thermodynamic Database for Zirconium Alloys

, 2006
For many decades zirconium alloys have been commonly used in the nuclear power industry as fuel cladding material. Besides their good corrosion resistance and acceptable mechanical properties the main reason for using these alloys is the low neutron absorption. Zirconium alloys are exposed to a very severe environment during the nuclear fission process
openaire   +1 more source

Harnessing Phase Separation for the Development of High‐Performance Hydrogels

Advanced Science, EarlyView.
ABSTRACT Hydrogels are indispensable for the development of next‐generation bioelectronics, soft robotics, and biomedical devices, where their mechanical properties determine performance and reliability. Among strategies to enhance hydrogel mechanics, phase separation enables controlled heterogeneity resulting in gel networks that are reinforced by ...
Yue Shao, Yiming Ma, Baihao Shao, Molly M. Stevens   +3 more
wiley   +1 more source

Highly Efficient Extraction of 212 Pb/212Bi from the Decay Chain of 232Th‐Based on Anion Exchange in Bromide Medium

Advanced Science, EarlyView.
This work provides an effective strategy for selectively extracting 212Pb and 212Bi from the decay chain of 232Th as well as its mechanism illustration. Using the novel strategy, 2.07 MBq of 212Pb is successfully separated from 232Th and its daughters, which enables the supply of 212Pb/212Bi directly from the abundant natural thorium resource to be ...
Lifeng Chen, Wannian Feng, Yuezhou Wei, Xuexiang He, Shaoying Wang, Zhongyuan Zhou, Qiang Wu, Ningchao Zheng, Xiangbiao Yin, Wenlong Li, Lingling Su, Shunyan Ning   +11 more
wiley   +1 more source

Controlled Moderate Interfacial Reaction Facilitates High‐Strength Low‐Resistivity Barrier Layer for Half‐Heusler Thermoelectrics

Advanced Science, EarlyView.
The barrier layer is designed comprehensively by thermal expansion coefficient and interfacial reaction energy to yield a controlled interfacial reaction. Ultimately, the Co25Fe50Ni25/half‐Heusler joint simultaneously achieves low contact resistivity and high bonding strength.
Jian Liang, Shuyue Tan, Lifeng Jiang, Wen Zhang, Hongda Song, Xinghui Wang, Haiping Guo, Huijun Kang, Rongchun Chen, Enyu Guo, Zongning Chen, Tongmin Wang   +11 more
wiley   +1 more source

SUPCRTNE Thermodynamic Database Engine

, 2021
openaire   +2 more sources

Enzymatic Basis for the Oxidative Branch of Aromatic Amino Acid Fermentation Leading to p‐cresol Formation

Advanced Science, EarlyView.
In anaerobic bacteria, tyrosine serves as an electron donor in the oxidative Stickland fermentation branch, generating p‐hydroxyphenylacetate, ATP and reduced ferredoxin for decarboxylation into p‐cresol. ABSTRACT The phenolic metabolite p‐cresol is a byproduct of tyrosine fermentation by certain strictly anaerobic bacteria, including the human gut ...
Li Jiang, Yifeng Wei, Xumei Liu, Dazhi Liu, Zhenyu Liu, Yang Tong, Jinyu Yin, Ankanahalli N. Nanjaraj Urs, Meining Xing, Mark A. Harrison, Chuyuan Zhang, Sheng Yang, Yunzi Luo, Ee Lui Ang, Huimin Zhao, Yan Zhang   +15 more
wiley   +1 more source

Thermodynamic model for methanesulphonic acid recovery by tri-<i>n</i>-butyl phosphate. [PDF]

RSC Adv
Lommelen R, Lempereur C, Binnemans K.
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

Machine learning for RNA secondary structure prediction: a review of current methods and challenges. [PDF]

RNA
Sacco G, Bussi G, Sanguinetti G.
europepmc   +1 more source