Integrated In Silico Discovery of Thymoquinone Analogs Targeting the Keap1-Nrf2 Pathway for Amyotrophic Lateral Sclerosis Therapy. [PDF]
ChemistryOpenNalicho JC +3 more
europepmc +1 more source
Autonomous Folding of Soft Matter From Living Polymers
Advanced Materials, EarlyView.Origami structures are endowed with “living” polymer creases that grow, remodel, and stiffen in response to nutrient solutions. This post‐fabrication growth enables autonomous folding, iterative regrowth, and mechanical tuning involving origami assemblies, such as cranes, Miura‐ori tessellations, rigid and non‐rigid square‐twist patterns, establishing ...
Jiahe Huang +6 more
wiley +1 more source
Accessible hybrid DFT-quality NMR crystallography <i>via</i> gas-phase machine learning interatomic potentials. [PDF]
Chem SciGunaga SS +3 more
europepmc +1 more source
Advanced Materials, EarlyView.Sub‐stoichiometric amounts of Na+ or K+ enhance defect healing during Silicalite‐1 (MFI) and TS‐1 calcination by promoting Si–O–Si annealing and healing framework vacancies. The resulting defect‐free zeolites are more hydrophobic and show improved butanol/water separation and improved activity and selectivity in the epoxidation of 1‐hexene, offering a ...
Christos Kanteler +14 more
wiley +1 more source
Motion-corrected eye tracking improves gaze accuracy during visual fMRI experiments. [PDF]
Nat CommunPark J, Jeon JY, Kim R, Kay KN, Shim WM.
europepmc +1 more source
Data‐Driven Materials Science for Energy‐Sustainable Applications
Advanced Materials, EarlyView.Data‐driven approaches powered by artificial intelligence are transforming materials discovery for energy sustainability. This review examines how auto‐generated high‐quality materials databases and domain‐specific language models accelerate research in photovoltaics, thermoelectrics, batteries and magnetic materials. Applications involve extraction of
Jacqueline M. Cole
wiley +1 more source
Machine learning-assisted screening of natural product database for the identification of novel chalcone-based derivative as a potent DHODH inhibitor in cancer therapy. [PDF]
Discov OncolRajamohamed R, Veerappapillai S.
europepmc +1 more source
Advanced Materials, EarlyView.Specific ortho‐halogenation transforms crystalline TADF emitters into efficient organic scintillators. Fluorine reduces the effective singlet–triplet separation, while chlorine combines near‐degenerate excited states with vibrational modulation of spin–orbit coupling.
Illia E. Serdiuk +8 more
wiley +1 more source
Computational screening of natural product inhibitor stargeting the MDM2-p53 interaction: docking and molecular dynamics insights for retinoblastoma therapy. [PDF]
Am J Transl ResGeng Y, Liu X, Kumar S, Geng Y.
europepmc +1 more source
Transient Cytoskeletal Anisotropy Encodes Short‐Term Mechanical Memory in Glioblastoma Cells
Advanced Materials, EarlyView.The same mechanical deformation can produce distinct cytoskeletal states depending on loading history. Experiments and constitutive modeling reveal that transient actin–vimentin anisotropy stores mechanical information and governs short‐term mechanical memory in glioblastoma cells.
Clara Gomez‐Cruz +5 more
wiley +1 more source