Results 141 to 150 of about 7,932,784 (254)

Flexibility of the TRMT10C N-Terminal Domain Helix Explored by Molecular Dynamics Simulations. [PDF]

J Phys Chem B
Hoang GL, Rossetti G, Tisné C, Carloni P.   +3 more
europepmc   +1 more source

Lewis Acid Site Engineering in MOF‐Derived Aluminum Oxide/Carbon Composites for Dechlorination of Waste Plastic Pyrolysis Oil

Advanced Functional Materials, EarlyView.
Controlled carbonization of an Al‐MOF partially decomposes its linkers, exposing coordinatively unsaturated Al centers within an oxide/carbon composite. The resulting Lewis acid sites, rather than surface area, govern organochlorine capture: the composite removes chemically diverse organochlorines from waste plastic pyrolysis oil, outperforms a ...
Seong Cheon Kim, Byeongju Jeon, Suk Hyun Lim, Eun Hee Kwon, Nam Sun Nho, Siyoung Q. Choi, Jeasung Park   +6 more
wiley   +1 more source

Additively Manufactured Geometry‐Reconfigurable Soft Neural Probes With Monolithic Multifunctionality

Advanced Functional Materials, EarlyView.
A geometry‐reconfigured additive manufacturing strategy converts planar printed soft materials into soft compact neural probes with integrated hydrogel electrodes and microfluidic channels. The resulting NeuroMAP platform enables scalable multichannel recording, localized chemical delivery, stable in vivo electrophysiological recording, and reduced ...
Hyunjin Lee, Xinyi Wang, Sirui Li, Jihyang Park, Hyunseok Lee, Jianting Yao, Kedar Narayan, Yuqi Wang, Jiashu Ren, Yueqi Deng, Salahuddin Ahmed, Denver I. Greenawalt, Archana Pandiyan, Loganathan Veeramuthu, Chi‐Ching Kuo, Tao Zhou   +15 more
wiley   +1 more source

Impact of Intercalators on the Properties of DNA Analyzed by Molecular Dynamics Simulations. [PDF]

J Phys Chem B
Ishida H, Kono H.
europepmc   +1 more source

Halide Composition Controls Phase Morphology and Device Specific Performance in Perovskite Photovoltaics and Light Emitting Diodes

Advanced Functional Materials, EarlyView.
We demonstrate that halide composition determines phase morphology, governing distinct operating mechanisms in mixed halide perovskites. Phase segregating 75% Br compositions enhance solar cell performance, whereas intrinsically phase‐separated 95% Br compositions provide stable light emitting diodes.
Tal Binyamin, Stav Rahmany, Anat Shvets, Hadar Shema, Elad Gross, Ido Hadar, Lioz Etgar   +6 more
wiley   +1 more source

Stabilization of Strongly Reduced Fe(I) Single Atom Species Coordinated in a 2D Self‐Assembled Metal–Organic Network

Advanced Functional Materials, EarlyView.
A graphene‐supported 2D metal–organic network stabilizes highly reactive Fe(I)‐N4 single sites through Co‐induced charge redistribution. Combined experiments and theory reveal Fe(I) formation, oxygen‐driven oxidation, and O2 activation mechanisms, offering a strategy to access low‐valent iron centers relevant to catalytic and biological processes ...
Alessandro Namar, Basant Roondhe, Michela De Col, Stefania Baronio, Matteo Jugovac, Mattia Scardamaglia, Eleanor Frampton, Nikolay Vinogradov, Paolo Giannozzi, Erik Vesselli   +9 more
wiley   +1 more source

Membrane Potential: Accuracy and Reproducibility of Molecular Dynamics Simulations. [PDF]

Membranes (Basel)
Malykhina AI, Efimova SS, Ostroumova OS.
europepmc   +1 more source

Decoupling Li+ Transport in Self‐Healing Polymer Dual‐Salt Electrolytes for Room Temperature Lithium Metal Batteries

Advanced Functional Materials, EarlyView.
A self‐healable polymer matrix, crosslinked via dynamic imine bonds, is synergistically coupled with a LiPF6–LiDFOB dual‐salt system to decouple Li+ from the polymer matrix, enabling fast Li+ transport. This strategy offers an effective pathway toward high‐performance, next‐generation gel‐polymer‐based Li‐metal batteries.
Soumallya Banerjee, Yu‐Te Chen, Chi‐Hsuan Lee, Atul Dhage, Zeeshan Alam Ansari, Chun‐Wei Pao, Shun‐Hsiang Chan, Shun‐Ming Huang, Chu‐Chen Chueh, Hong‐Cheu Lin, Chih Wei Chu   +10 more
wiley   +1 more source

Designing Cooperative Molecular Glues for FKBP12-MAPRE1 with Enhanced-Sampling Molecular Dynamics Simulations. [PDF]

J Am Chem Soc
Chen SY, Solazzo R, Fouché M, Roth HJ, Dittrich B, Riniker S.   +5 more
europepmc   +1 more source

Ligand Assisted Epitaxial Growth of CsPbBr3 Microcrystal Resonators With Record ‐Low Lasing Thresholds

Advanced Functional Materials, EarlyView.
Solution‐based ligand‐assisted epitaxial growth (LAEG) yields high‐quality CsPbBr3 microcrystals on different substrates with superior morphology, passivated surfaces, and high photoluminescence quantum yield. These robust micro‐resonators achieve record‐low room‐temperature lasing thresholds of 7.2 kW·cm−2 and maintain operational stability up to 90 ...
Shuyu Zhou, Viktor Rehm, Zijian Peng, Tomáš Hrbek, Anastasia Barabash, Christoph J. Brabec, Berke Özyalin, Yufei Han, Johannes Böhmer, Johannes Will, Erdmann Spiecker, Klaus Götz, Tobias Unruh, Jędrzej Korczak, Tomasz Story, Felix Hilpert, Olaf Brummel, Jörg Libuda, Iva Matolínová, Wolfgang Heiss   +19 more
wiley   +1 more source