Results 191 to 200 of about 4,059 (256)

Utilising Machine Learning and Single-Cell Analysis to Uncover SKCM Metastasis-Related Genes. [PDF]

IET Syst Biol
Liao Z, Chen W, He Y, Zheng Y, Chen X, Shen H.   +5 more
europepmc   +1 more source

Cobalt/Photoredox Catalyzed Desymmetrization of Oxo and Azabicycles via Asymmetric Reductive Coupling With Alkynes

Advanced Science, EarlyView.
A one‐step, asymmetric reductive coupling of alkynes and oxa‐ and aza‐bicyclic olefins using a cobalt/photoredox catalytic system through desymmetrization. ABSTRACT Bicyclo[2.2.1]heptane frameworks represent a privileged structural motif prevalent in numerous natural products and bioactive molecules.
Subhankar Pradhan, Arko Saha, Bholanath Maity, Sayan Dutta, Luigi Cavallo, Basker Sundararaju   +5 more
wiley   +1 more source

Topology-inclusive aerodynamic shape optimisation using a cellular automata parameterisation. [PDF]

Struct Multidiscipl Optim
Wood MJ, Rendall TCS, Allen CB, Kedward LJ, Taylor NJ, Fincham J, Leppard NE.   +6 more
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

Structural optimization of CHI3L1 inhibitors with improved pharmacokinetics and functional activity in 3D glioblastoma models. [PDF]

J Enzyme Inhib Med Chem
Kaur B, Nada H, Gabr MT.
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

A differentiable variational model for structural self-contact and fracture. [PDF]

Eng Comput
Ciceri M, Aveline C, Thillaithevan D, Hewson R, Santer M.   +4 more
europepmc   +1 more source

Light‐Imprinted Chirality in Nanomaterials: From Principles to Applications

Advanced Science, EarlyView.
Light‐induced chirality represents a transformative paradigm for fabricating chiral nanostructures. This review provides a comprehensive framework encompassing light‐based strategies for imprinting and tuning chirality in nanomaterials, which guides researchers in harnessing light to create next‐generation functional materials.
Xinru Jin, Emiliano Cortés, Alexander O. Govorov, Tao Ding   +3 more
wiley   +1 more source

A platform to design and optimise fluorogenic scFvs for detection of interleukin 33. [PDF]

Chem Sci
Reese AE, Karmakar U, Restori M, Hermoso MA, Church GM, Kuru E, Vendrell M.   +6 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