Damped Linear Response TDDFT with Range-Separated Functionals and Density Fitting. [PDF]
J Phys Chem AD'Antoni P, Toffoli D, Stener M.
europepmc +1 more source
Unveiling the Role of Curvature in Carbon for Improved Energy Release of Ammonium Perchlorate
Advanced Materials, EarlyView.High‐curvature carbon materials identified via machine learning and simulation can enhance the heat release and combustion performance of ammonium perchlorate. ABSTRACT The catalytic role of carbon curvature in the thermal decomposition of ammonium perchlorate (AP) remains largely unexplored. To address this gap, this study employs machine learning and
Dan Liu +8 more
wiley +1 more source
Optimal experimental design for partially observable pure birth processes. [PDF]
PLoS OneEshragh A +3 more
europepmc +1 more source
Engineered Protein‐Based Ionic Conductors for Sustainable Energy Storage Applications
Advanced Materials, EarlyView.Rational incorporation of charged residues into an engineered, self‐assembling protein scaffold yields solid‐state protein films with outstanding ionic conductivity. Salt‐doping further enhances conductivity, an effect amplified in the engineered variants. These properties enable the material integration into an efficient supercapacitor.
Juan David Cortés‐Ossa +14 more
wiley +1 more source
A Softsensor for Wind Measurements in Karst Caves. [PDF]
Sensors (Basel)Kocijan J +5 more
europepmc +1 more source
Bacteria‐Responsive Nanostructured Drug Delivery Systems for Targeted Antimicrobial Therapy
Advanced Materials, EarlyView.Bacteria‐responsive nanocarriers are designed to release antimicrobials only in the presence of infection‐specific cues. This selective activation ensures drug release precisely at the site of infection, avoiding premature or indiscriminate release, and enhancing efficacy.
Guillermo Landa +3 more
wiley +1 more source
Modelling effective diffusion for accurate NMR pore size analysis in nano- and microporous rocks. [PDF]
Sci RepFajt M +3 more
europepmc +1 more source
Advanced Materials, EarlyView.Bioorthogonal chemistry was applied to intracellularly photoactivate Doxorubicin (Dox) using gold nanostars (AuNSt) and near‐infrared (NIR) light. Two prodrugs were used: one photoactivatable, masked with 2‐nitrobenzyl carbamate (proDox1) and another photolabile, masked with 2‐nitrobenzyl diol (proDox2), which was attached to the AuNSt surface.
Juan José Esteve‐Moreno +15 more
wiley +1 more source
Study of phase separation process in multi-component mixtures using analytical methods and decomposition variational iteration method for the fourth-order Cahn-Hilliard equation. [PDF]
Sci RepLuo J +7 more
europepmc +1 more source
Solvent‐Free Thermal Defect Engineering in Molecular Frameworks With Volatile Linkers
Advanced Materials, EarlyView.Thermal removal of neutral volatile linkers enables precise and solvent‐free generation of metal vacancies in MOFs. This strategy affords redox‐stable, coordinatively unsaturated FeII sites with tunable spin, ligand coordination, and catalytic behavior. The approach offers a general route to design defect‐functional materials through local coordination
Sonia Martínez‐Giménez +9 more
wiley +1 more source