Results 131 to 140 of about 137,993 (255)

One‐Step Curcumin‐Mediated Multiphoton Lithography for Bioactive 3D Scaffolds

Advanced Functional Materials, EarlyView.
Curcumin‐mediated multiphoton lithography enables one‐step fabrication of highly architected complex gelatin methacryloyl scaffolds by exploiting curcumin as a multifunctional bioactive photoinitiator. The resulting 3D structures support mesenchymal stem cell adhesion, proliferation, and migration, while exhibiting dual antibacterial activity through ...
Myrto Charitaki, Michalis Stavrou, Chrysanthi Pinelopi Apostolidou, Elmina Kabouraki, David Gray, Anna Mitraki, Anthi Ranella, Maria Farsari   +7 more
wiley   +1 more source

DeepDOX1: A Dual-Drive Framework Integrating Deep Learning and First-Principles Quantum Chemistry for Drug-Protein Affinity Prediction. [PDF]

JACS Au
Liu Z, Sun H, Wang Y, Ren Y, Rao L, Huang Z, Cao H, Hu X, Zhu X, Li M, Wan J.   +10 more
europepmc   +1 more source

Interaction‐Driven Assembly Pathways in Heterogeneous Active Microrobotic Systems

Advanced Functional Materials, EarlyView.
Peanut‐ and cube‐shaped light‐powered microrobots exhibit distinct magnetic and photocatalytic responses that determine their heterogeneous self‐assembly. In the dark, magnetic dipole interactions drive colloidal copolymerization with cubes acting as nucleation centers, whereas under light irradiation, phoretic interactions compete with magnetic ...
Domenico Calabrò, Roshan Velluvakandy, Martin Pumera, Francesco Priolo, Salvo Mirabella, Mario Urso   +5 more
wiley   +1 more source

SpinAdaptedSecondQuantization.jl 1.0─A Simple and Pedagogical Approach to Symbolic Quantum Chemistry. [PDF]

J Phys Chem A
Lexander MT, Haugland TS, Rossi F, Koch H.   +3 more
europepmc   +1 more source

Molecular Rotors: From Newtonian Fluids to Functional Materials as Viscosity and Temperature Sensing Tools

Advanced Functional Materials, EarlyView.
Molecular rotors are fluorescent molecules that are sensitive to viscosity and temperature variations in the environment. They exhibit a direct correlation between fluorescence and viscosity within Newtonian fluids. However, this correlation becomes less straightforward in complex systems.
Flavia Di Scala, Alice Briole, Valerii Myndrul, Thomas J. Cleij, Hanne Diliën, Bérengère Abou, Bart van Grinsven   +6 more
wiley   +1 more source

Quantum chemistry - from the first steps to linear-scaling electronic structure methods. [PDF]

Pure Appl Chem
Graf D, Drontschenko V, Stan-Bernhardt A, Ochsenfeld C.   +3 more
europepmc   +1 more source

Intrinsic Interfacial Energy Alignment Enables ETL‐Free Organic Solar Cells

Advanced Functional Materials, EarlyView.
Molecular orientation of the small‐molecule donor BTR‐Cl induces a vacuum‐level shift that pins the Fermi level at ∼4.4 eV at the active layer/Ag interface, enabling Ohmic contact formation without an electron transport layer. This strategy is extended to ternary PM6:Y6:BTR‐Cl devices, achieving an ETL‐free efficiency of 18.6% with enhanced operational
Heng Liu, Yuang Fu, Cangyu Wang, Luhang Xu, Xian‐Kai Chen, Man Chung Tang, Xinhui Lu   +6 more
wiley   +1 more source

Quantum Chemistry-Driven Molecular Inverse Design of Stable Isomers with Data-Free Reinforcement Learning. [PDF]

J Chem Theory Comput
Calcagno F, Serfilippi L, Franceschelli G, Garavelli M, Musolesi M, Rivalta I.   +5 more
europepmc   +1 more source

Tailored Diketopyrrolopyrrole Derivatives for Efficient Deep‐Red Organic Lasers

Advanced Functional Materials, EarlyView.
Tailored diketopyrrolopyrrole derivatives exhibit high stable amplified spontaneous emission with single or dual bands. Incorporated into distributed‐feedback lasers based on one‐ and two‐dimensional dichromated‐gelatin diffractive gratings, these materials provide a robust, flexible platform for integrated organic deep‐red light sources. ABSTRACT Deep‐
Pablo Pasqués‐Gramage, Abelardo Sánchez‐Oliva, Álex Farrando‐Pérez, Pedro G. Boj, M. Victoria Gómez, Ana M. Rodríguez, Pilar Prieto, Rafael Muñoz‐Mármol, Andrew J. Musser, Iván Torres‐Moya, María A. Díaz‐García   +10 more
wiley   +1 more source

Benchmarking Foundation Potentials against Quantum Chemistry Methods for Predicting Molecular Redox Potentials. [PDF]

Precis Chem
Chen Y, Cheng L, Jing Y, Zhong P.
europepmc   +1 more source