Results 181 to 190 of about 8,716,920 (283)

Virtual screening of human pancreatic lipase inhibitors using an integrated transfer learning and molecular dynamics simulation. [PDF]

Bioinformation
Lakshmi C, Tamilselvan BS.
europepmc   +1 more source

Tetracyclic π‐Extended Multi‐Resonant TADF Emitters for Green PSF‐OLEDs With 37.7% EQE and BT.2020‐Compatible Top‐Emitting Devices

Advanced Functional Materials, EarlyView.
Ultra‐narrow green multi‐resonance thermally activated delayed fluorescence emitters have been developed by linear π‐extension strategy using tetracyclic naphtho[2,3‐b]benzofuran unit. The resulting phosphorescence‐sensitized OLEDs achieve a maximum external quantum efficiency of 37.7% in the bottom‐emitting architecture, while the complementary top ...
Eo Jin Jeon, Truong Thi Thuy, Nikita Abitkar, Paramasivam Palanisamy, Jiheon Kim, Myungsun Sim, Athithan Maheshwaran, Jang Hyuk Kwon   +7 more
wiley   +1 more source

Reconstructing Residual‐Solvent‐Involved Li+ Coordination in PVDF‐HFP Polymer Electrolytes for Stable Lithium Metal Batteries

Advanced Functional Materials, EarlyView.
2,2,2‐trifluoroethanamide‐mediated coordination regulation reconstructs the local Li+ environment in PVDF‐HFP polymer electrolytes by weakening residual DMF‐dominated coordination and promoting TFSI−‐involved anion‐rich solvation. This strategy facilitates Li+ migration and interfacial desolvation, promotes the formation of a thin inorganic‐rich SEI ...
Xiangsong Jiang, Qi Liu, Haohan Chen, Jianwei Lu, Yupeng Feng, Youwei Wang, Tianhao Zhao, Na Jiang, Wei Yang, Fei Li, Chunwei Dong, Shubiao Xia, Zhenzhen Shen, Weiwei Lei, Dan Liu, Jianping Long, Shimou Chen, Anjun Hu   +17 more
wiley   +1 more source

Insights into human TLR9 structural dynamics and recognition of pathogen-associated CpG DNA using molecular dynamics simulation. [PDF]

iScience
Sasidharan S, Gosu V, Shin D.
europepmc   +1 more source

Preferential Interfacial Engineering of Hydrogels via Interdigitated Nanoparticle Assembly

Advanced Functional Materials, EarlyView.
Robust surface functionalization of hydrogel surfaces is performed via interdigitated metal nanoparticle assembly, inducing strong affinity with the hydrogel matrix. The partially exposed nanoparticle domains act as interfacial nanobridges that mediate both chemical and physical bonding with diverse materials, including small molecules, fluorous ...
Hyeonjin Kim, Hyeseoung Lim, Ji Min Lee, Heeyeon Kang, Yongkwon Song, Woojae Chang, So‐Jin Park, Jin Yoo, Atsushi Hozumi, Jinhan Cho, Jongkuk Ko, Sanghyuk Wooh   +11 more
wiley   +1 more source

Molecular dynamics simulation of thermal activation of human TRPV1. [PDF]

Mol Biol Res Commun
Bermudes-Contreras JD, Arratia-Cortés LM, Ramírez-Moreno ME, Zamora-López B, López-Camarillo C, Marchat LA, Zamorano-Carrillo A.   +6 more
europepmc   +1 more source

Modal Analysis of Light Propagation, Polarization and Diffraction by Cholesteric Liquid Crystal Layers

Advanced Functional Materials, EarlyView.
The analysis of optical eigenmodes in chiral liquid crystal with perpendicular or tilted helical axis, and their correspondence with the external medium, leads to an intuitive understanding of the angle and wavelength dependency of transmissive and reflective diffraction.
Ke Xu, Pouya Nosratkhah, Le Zhou, Shengzhu Yi, Giorgio Manzoni, Kristiaan Neyts   +5 more
wiley   +1 more source

Revealing GRK5 Activation Features by Interpretable Machine Learning and Molecular Dynamics Simulation. [PDF]

Int J Mol Sci
Song Y, Kong M, Zhang F, Pu X.
europepmc   +1 more source

Thermoresponsive Liquid Crystalline Polymer Coatings Programmed by Field‐Induced Topological Defects for Tunable Optical and Topographical Responses

Advanced Functional Materials, EarlyView.
Resonant standing waves generate large‐area lattices of liquid‐crystal topological defects that are permanently encoded into polymer coatings by photopolymerization. The preserved director architecture produces thermally reconfigurable surface topographies while maintaining programmable optical functionality, demonstrating a scalable strategy for ...
Jacques A. Peixoto, Mufeeduzaman Chavilkkadan, Alexander Fusi, Marko Beslać, Dirk J. Broer, Etienne Brasselet, Danqing Liu   +6 more
wiley   +1 more source

Atomistic insight into Al-Mg friction stir welding process via molecular dynamics simulation. [PDF]

PLoS One
Nguyen VT, Hoang VH, Nguyen TT, Thien TN, Vo XT, Nguyen VTT.   +5 more
europepmc   +1 more source