Results 211 to 220 of about 3,156,569 (293)

Band Alignment in In‐Oxo Metal Porphyrin SURMOF Heterojunctions

Advanced Functional Materials, EarlyView.
Porphyrin core metalation in indium‑oxo SURMOFs enables systematic tuning of band edge positions without altering the crystal structure. First‑principles calculations reveal type‑I and type‑II heterostructures as well as multi‑junction energy cascades, establishing a modular strategy for exciton funneling and charge separation in optoelectronic ...
Puja Singhvi, Nina Vankova, Thomas Heine
wiley   +1 more source

A multiphysics computational model of focused ultrasound-enhanced drug delivery using temperature-sensitive liposomes

Koutsi M, Mpekris F, Stylianopoulos T.
europepmc   +1 more source

The effects of bipolar disorder granule cell hyperexcitability and lithium therapy on pattern separation in a computational model of the dentate gyrus. [PDF]

Transl Psychiatry
Singh S, Khayachi A, Stern S, Trappenberg T, Alda M, Nunes A.   +5 more
europepmc   +1 more source

On‐Surface Indigo‐Based Bimolecular Coordination Networks with Programmable Regular or Vitreous Structure

Advanced Functional Materials, EarlyView.
A previously unreported coordination motif stabilising single Fe atoms by indigo chelation and pyridyl coordination on Au(111) has been revealed. By using planar tritopic pyridyl linkers (TPyB), extended 2D porous networks of indigo3(TPyB)2Fe6 form. These networks can be crystalline or vitreous and offer an environment where individual coordination ...
Hongxiang Xu, Ritam Chakraborty, Biao Yang, Dennis Meier, Joachim Reichert, Svetlana Klyatskaya, Mario Ruben, Shobhana Narasimhan, Johannes V. Barth, Anthoula C. Papageorgiou   +9 more
wiley   +1 more source

A mechanistic computational model of HGF-VEGF-mediated endothelial cell proliferation and vascular permeability. [PDF]

iScience
de Melo Oliveira RH, Patil A, Annex BH, Pathak AP, Popel AS.   +4 more
europepmc   +1 more source

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source

A Multi-Scale, High-Fidelity Computational Model of the Mouse Triceps Surae Motor Pool. [PDF]

Annu Int Conf IEEE Eng Med Biol Soc
Mousa MH, Elbasiouny SM.
europepmc   +1 more source

Computational Modeling [PDF]

, 2011
openaire   +1 more source

Mechanical Properties of Architected Polymer Lattice Materials: A Comparative Study of Additive Manufacturing and CAD Using FEM and µ‐CT

Advanced Functional Materials, EarlyView.
This study examines how pore shape and manufacturing‐induced deviations affect the mechanical properties of 3D‐printed lattice materials with constant porosity. Combining µ‐CT analysis, FEM, and compression testing, the authors show that structural imperfections reduce stiffness and strength, while bulk material inhomogeneities probably enhance ...
Oliver Walker, Thierry Roland, Damien Favier, Antoine Egele, Michael Heymann, Cosima Stubenrauch   +5 more
wiley   +1 more source

KGCLMDA: a computational model for predicting latent associations of microbial drugs using knowledge graphs and contrastive learning. [PDF]

Bioinformatics
Liu M, Su S, Wang G, Huang S.
europepmc   +1 more source