Mesoporous Silica Nanoparticles in Biomedicine: Advances and Prospects
Advanced Materials, EarlyView.Mesoporous silica nanoparticles offer unique properties like high surface area, tunable pores, and functionalization. They excel in drug delivery, tissue engineering, and stimuli‐responsive therapies, enabling targeted and controlled treatments. With roles in cancer therapy and diagnostics, their clinical translation requires addressing challenges in ...
Miguel Manzano, María Vallet‐Regí
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Leveraging the Bias-Variance Tradeoff in Quantum Chemistry for Accurate Negative Singlet-Triplet Gap Predictions: A Case for Double-Hybrid DFT. [PDF]
J Comput ChemMajumdar A, Ramakrishnan R.
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Opportunities of Semiconducting Oxide Nanostructures as Advanced Luminescent Materials in Photonics
Advanced Materials, EarlyView.The review discusses the challenges of wide and ultrawide bandgap semiconducting oxides as a suitable material platform for photonics. They offer great versatility in terms of tuning microstructure, native defects, doping, anisotropy, and micro‐ and nano‐structuring. The review focuses on their light emission, light‐confinement in optical cavities, and
Ana Cremades +7 more
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Photodissociation and electron-collision induced dissociation of C<sub>5</sub>H<sub>2</sub>F<sub>10</sub> using photoelectron-photoion coincidence spectroscopy and quantum chemistry. [PDF]
Sci RepTran NT +3 more
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Advanced Materials, EarlyView.2D α‐Co(OH)2 interleaved with Mo species displays an appealing dual functionality for the production and use of green hydrogen.Mo incorporation greatly benefits the electrochemical behaviour in Oxygen Evolution Reaction for H2 production, while the magnetocaloric response at liquid H2 temperature paves the way for alternative cryogenic refrigerants ...
Daniel Muñoz‐Gil +14 more
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Unveiling dual-functional umami peptides with antioxidant effects from eggshell membrane byproducts: A machine learning-guided approach integrating molecular simulation and quantum chemistry. [PDF]
Food Chem XZhu L +8 more
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Directional Flow of Confined Polaritons in CrSBr
Advanced Materials, EarlyView.CrSBr, a layered magnetic semiconductor, naturally channels self‐hybridized excitonpolaritons into highly directional flow. Its intrinsic optical anisotropy, high refractive index, and strong lightmatter coupling enable long‐range guided modes along the a‐axis, with propagation lengths set by their excitonphoton admixture.
Pratap Chandra Adak +10 more
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Flexoelectrically Induced Polar Topology in Twisted SrTiO3 Membranes
Advanced Materials, EarlyView.Twisted SrTiO3 bilayers host polar vortices of flexoelectric origin, revealed through combined experiment and theory. By reconstructing polarization from the toroidal moment of strain gradients, the work establishes a 3D chiral state with broken inversion and mirror symmetries.
Isabel Tenreiro +13 more
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Molecular Recognition of SARS-CoV-2 Mpro Inhibitors: Insights from Cheminformatics and Quantum Chemistry. [PDF]
MoleculesOlosunde A, Hu X.
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