Results 171 to 180 of about 1,952,092 (277)

Combining X‑ray Diffraction, Solid-State NMR, and Computational Chemistry for Structural Insights and Performance Evaluation of GIPAW/GIAO ¹³C Chemical-Shift Calculations for Lamivudine and Three Pharmaceutical Salts. [PDF]

ACS Omega
Dias-Silva JR, Ferreira VS, Martins FT, Lacerda Júnior V, de Souza PL, Marinho TMF, Queiroz Júnior LHK.   +6 more
europepmc   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source

gKFA: a geometric framework for kurtosis fractional anisotropy. [PDF]

Sci Rep
Kaushik S, Bansal A, Kubíček J, Haváček M, Khairnar A.   +4 more
europepmc   +1 more source

Dim and Small Target Detection with a Combined New Norm and Self-Attention Mechanism of Low-Rank Sparse Inversion. [PDF]

Sensors (Basel), 2023
Min L, Wu A, Fan X, Li F, Li J.
europepmc   +1 more source

A Molecular Engineering Strategy to Fine‐Tune Phototoxicity of AIE Probes for Super‐Resolution Imaging of Mitochondrial Cristae Dynamics

Advanced Science, EarlyView.
Regulation of molecular packing, phototoxicity, and ROS output of AIE photosensitizers is achieved through carboxylation and alkyl‐chain‐length tuning. The probe designed via this strategy enables super‐resolution visualization of inner‐mitochondrial‐membrane cristae dynamics under controlled oxidative stress, and fluorescence‐lifetime imaging of ...
Kongqi Chen, Mengjie Wang, Chuen Kam, Zhiming Wang, Qinrong Zhang, Sijie Chen   +5 more
wiley   +1 more source

Broadening Hard‐Magnet Discovery Beyond Symmetry Constraints via Unified Effective Anisotropy

Advanced Science, EarlyView.
A unified effective‐anisotropy descriptor (Keff) extends hard‐magnet screening across all seven crystal systems, beyond the uniaxial restriction of conventional searches. Machine‐learning screening of 9320 known ferromagnets and diffusion‐model generation together yield 38 rare‐earth‐free or ‐lean candidates with DFT‐validated magnetic hardness (κ > 1),
Hojae Kim, Hyeondeok Shin, Kyungju Nam, Seunghyo Noh, Donghwi Kim, Yousung Jung   +5 more
wiley   +1 more source

A fast, accurate and oscillation-free spectral collocation solver for high-dimensional transport problems. [PDF]

Sci Rep
Cavallini N, Manzini G, Funaro D, Favalli A.   +3 more
europepmc   +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

Interlayer‐Sliding‐Enabled Multiferroicity and Giant Switchable Anomalous Hall Conductivity in RuO2Zn2F2 Bilayer

Advanced Science, EarlyView.
Interlayer sliding in the RuO2Zn2F2 bilayer induces ferroelectricity and enables reversible valley polarization switching. The electric dipole and valley‐resolved band edges are intimately coupled, revealing sliding ferroelectricity as a powerful mechanism for electrical control of valley degrees of freedom in 2D materials.
Djamel Bezzerga, Imran Khan, Ganie Suhail Ahmad, Jisang Hong   +3 more
wiley   +1 more source

Geometric Aspects of Entanglement. [PDF]

Entropy (Basel)
De Simone L, Capra L, Vesperini A, Rossi L, Di Cairano L, Franzosi R.   +5 more
europepmc   +1 more source