Results 191 to 200 of about 1,941,585 (293)

The Importance of Metal‐Organic Framework Linker Atoms for CO2 Reduction: A DFT Study

Advanced Science, EarlyView.
Using DFT, we examine the role of linker atoms in CO2 reduction on copper‐based metal organic frameworks (Cu MOFs). Our calculations reveal that linker atoms may serve as both CO2 and H‐shuttling sites and suggest linker electrostatics as a descriptor for linker activity. ABSTRACT Although the metal within the secondary building unit of a metal‐organic
Ugochukwu Nwosu, Samira Siahrostami
wiley   +1 more source

Correction: Patient derived xenograft models of hormone receptor positive and HER2 negative breast cancer from Indian patients. [PDF]

Sci Rep
Gandhi KA, Chaubal R, Talker E, Aadhi JC, Pandey S, Mukhare R, Kadam A, Singh A, Gurav M, Parab P, Kembhavi Y, Thorat R, Sekar A, Gulia S, Gala K, Shetty N, Joshi S, Kulkarni S, Shet T, Gupta S.   +19 more
europepmc   +1 more source

Physics‐Embedded Neural Network: A Novel Approach to Design Polymeric Materials

Advanced Science, EarlyView.
Traditional black‐box models for polymer mechanics rely solely on data and lack physical interpretability. This work presents a physics‐embedded neural network (PENN) that integrates constitutive equations into machine learning. The approach ensures reliable stress predictions, provides interpretable parameters, and enables performance‐driven, inverse ...
Siqi Zhan, Hengheng Zhao, Haotian Wang, Zhanjie Liu, Qian Li, Weifeng Zhang, Qingsong Zhao, Liqun Zhang, Jun Liu   +8 more
wiley   +1 more source

A fast Chebyshev exponential-integrator solver for stochastic PDEs on bounded domains with non-homogeneous Dirichlet boundary data. [PDF]

MethodsX
Sarker RC, Islam MS, Rahman A.
europepmc   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Synergistic Spin‐Polarization and Single‐Atom Engineering in Magnetic Heterojunctions for Efficient Solar Water Splitting

Advanced Science, EarlyView.
High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren, Zhenzhou Guo, Huirong Wu, Peilin Huang, Jie Yang, Jie Zhang, Guangqian Ding, Hongkuan Yuan, Biao Wang   +8 more
wiley   +1 more source

Global and Regional Risk Factors for Vision Impairment in 2020 and Multi-decadal Trends 1990-2020: A Meta-Analysis and Visual Display Based on Prevalence Data From the Global Burden of Disease study and Vision Loss Expert Group. [PDF]

Ophthalmic Physiol Opt
Bottone M, Jonas J, Steinmetz J, Braithwaite T, Casson R, Ehrlich J, Taylor HR, Friedman D, Congdon N, Kempen J, Leasher J, Wang N, Khanna R, Peto T, Furtado JM, Wong TY, Hartnett ME, Cicinelli MV, Tahhan N, Lansingh VC, Wang SY, Tapply I, Briant P, Vos T, Resnikoff S, Flaxman SR, Bourne RRA, Vision Loss Expert Group of the Global Burden of Disease Study.   +27 more
europepmc   +1 more source

Type‐II Dirac Fermions in Monolayer In2O: Interplay of Magnetotransport, Spin Hall Effect, and Superconductivity

Advanced Science, EarlyView.
First‐principles calculations reveal that monolayer In2O${\rm In}_2{\rm O}$ hosts type‐II Dirac fermions near the Fermi level, which split into Weyl points under spin‐orbit coupling. The material exhibits negative and giant magnetoresistance, a pronounced spin Hall effect, and phonon‐mediated superconductivity at 1.5 K, establishing it as a unique ...
Qing‐Bo Liu, De‐Ming Feng, Wen‐Neng Zhao, Yu‐Yang Zhao, Lun Xiong, Xing‐Yi Tan, Hua‐Hua Fu   +6 more
wiley   +1 more source

Divergent c-MYC Expression Patterns in NET and NEC: Insights from a Multicentre Cohort of 1380 Neuroendocrine Neoplasms. [PDF]

Endocr Pathol
Schmitt M, Ofner K, Bartsch DK, Wagner DC, Rinke A, Gress T, Kremer M, Evert M, Reitsam NG, Koberova V, Märkl B, Quaas A, Eckstein M, Steinestel K, Pagenstecher A, Keber U, Denkert C, Steiger K, Foersch S, Klöppel G, Kasajima A, Bohnenberger H, Jesinghaus M.   +22 more
europepmc   +1 more source

Deciphering Short‐Range Order in 2D Transition Metal Dichalcogenides: From Origin to Multi‐Scale Property Modulation

Advanced Science, EarlyView.
Short‐range order in 2D transition metal dichalcogenides is revealed as a new design paradigm. Driven by chemical affinity and atomic size, it governs properties across scales. Weak ordering tunes site‐resolved magnetism and d‐band centers, while strong ordering eliminates gap states to open band gaps.
Hanyu Liu, Linggang Zhu, Jian Zhou, Zhimei Sun   +3 more
wiley   +1 more source