Results 161 to 170 of about 1,206,877 (302)

Structural and Kinetic Basis for the Rational Design of Next-Generation β-Lactamase Inhibitors. [PDF]

J Med Chem
Chen S, Yu M, Xu M, Decherchi S, Taracila MA, Hujer AM, Bethel CR, Bonomo RA, Haider S.   +8 more
europepmc   +1 more source

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

Emergent Spin‐Glass Behavior in an Iron(II)‐Based Metal–Organic Framework Glass

Advanced Functional Materials, EarlyView.
A one‐pot, solvent‐free synthesis yields an Fe2+‐based metal‐organic framework (MOF) glass featuring a continuous random network structure. The material exhibits spin‐glass freezing at 14 K, driven by topological‐disorder and short‐range magnetic frustration, showcasing the potential of MOF glasses as a plattform for cooperative magnetic phenomena in ...
Chinmoy Das, Soma Salamon, Joachim Landers, Jan‐Benedikt Weiß, Wen‐Long Xue, Pascal Kolodzeiski, Roman Pallach, Heiko Wende, Sebastian Henke   +8 more
wiley   +1 more source

Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer's disease. [PDF]

PLoS One
El Fadili M, Er-Rajy M, Mujwar S, Samadi A, Chtita S, Elhallaoui M.   +5 more
europepmc   +1 more source

Auto‐Generated Valence States in Electrocatalysts for Boosting Oxygen and Hydrogen Evolution Kinetics in Alkaline Water/Alkaline Seawater/Simulated Seawater/Natural Seawater

Advanced Functional Materials, EarlyView.
This review systematically highlights the latest achievements in mixed‐valence states relevant to hydrogen and oxygen evolution reactions, providing essential insights into future directions and methods for large‐scale practical implementation. This critical review is expected to provide an overview of recent advancements in diverse valence‐state metal
Jitendra N. Tiwari, Gokul Bhaskaran, Krishan Kumar, Yun Suk Huh, Young‐Kyu Han   +4 more
wiley   +1 more source

Computational rational design of unspecific peroxygenase for C-H oxidation. [PDF]

Sci Adv
Gao R, Fu X, Li Z, Wang Z, Li G, Ge J, Hollmann F, Wang Z, Lou WY, Wu X.   +9 more
europepmc   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source

Rational design of k-casein peptides to modulate GSK-3B dynamics for Alzheimer's therapy. [PDF]

Sci Rep
Moghaddam N, Ramazani A, Zarei A.
europepmc   +1 more source

From Single Atoms to Nanoparticles: Pathways Toward Efficient and Durable Pt/TiO2 Photocatalysts

Advanced Functional Materials, EarlyView.
Platinum single atoms on TiO2 nanosheets evolve into clusters and nanoparticles under ethanol photoreforming and thermal treatments. By controlling deposition and post‐treatments, particle size and location on specific facets are modulated. The study reveals how stability pathways determine efficiency, guiding the design of more durable photocatalysts.
Juan José Delgado, Enqi Bu, Yaning Han, Carlos López‐Cartes, Mónica Calatayud, Huiyan Pan, Xiaowei Chen   +6 more
wiley   +1 more source

Editorial: Advances in the Regulation and Production of Fungal Enzymes by Transcriptomics, Proteomics and Recombinant Strains Design

Frontiers in Bioengineering and Biotechnology, 2019
André Damasio, Gustavo H. Goldman, Roberto N. Silva, Fernando Segato   +3 more
doaj   +1 more source