Results 231 to 240 of about 3,784,520 (317)

Resistance to Overdoping Allows Over 2000 S cm−1 Conductivity in P(g3BTTT) With Anion‐Exchange Doping

Advanced Materials, EarlyView.
Anion‐exchange doping of conjugated polymers is an effective way to achieve high conductivities. Here, we report over 2000 S cm−1 electrical conductivity for doped P(g3BTTT). In addition, we show that P(g3BTTT) sustains exceptionally high doping levels without any drop in the charge mobility.
Basil Hunger, Maximilian M. Horn, Eva Röck, Diego Rosas Villalva, Lize Bynens, Jochen Vanderspikken, Christina Kousseff, Silène Gobeil, Olivier Bardagot, Nesibe Akmanşen‐Kalayci, Sarah H. Tolbert, Iain McCulloch, Wouter Maes, Demetra Tsokkou, Natalie Banerji   +14 more
wiley   +1 more source

Discovery of Novel Inhibitors of <i>Aspergillus fumigatus</i> DHODH via Virtual Screening, MD Simulation, and In Vitro Activity Assay. [PDF]

Molecules
Li K, Xia W, Zhang JZH.
europepmc   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Screening Enamine Fragments Library in the Quest for Novel SOS2 Inhibitors: Pharmacophore Modelling, Molecular Docking, MMGBSA Calculations, and MD Simulation. [PDF]

J Pharm Bioallied Sci
Alzain AA, Almogaddam MA, Makki AA, Edris A, Mohamed HM, Ehaimir SY, Mohamed SGA, Taher Felemban SA, Hammad Alshammari WH, Mohamed GA, Ibrahim SRM.   +10 more
europepmc   +1 more source

Laser‐Assisted Phase Engineering of 2D MoS2 for Efficient Solution‐Processed Electronics

Advanced Materials, EarlyView.
Here, local laser‐assisted phase transition from solution‐processed phase‐pure 1T′ to 2H MoS2 is shown to critically depend on the irradiation atmosphere. While processing in air leads to damaged insulating regions, inert conditions yield semiconducting 2H domains, enabling direct field‐effect transistor patterning with optimized lateral 1T′‐2H MoS2 ...
Anna Zhuravlova, Minjuan Li, Osamah Alharbi, Yeonsu Jeong, Bin Han, Lei Gao, Mischa Bonn, Mario Lanza, Sheng Yang, Antonio Gaetano Ricciardulli, Paolo Samorì   +10 more
wiley   +1 more source

A combined in silico and MD simulation approach to discover novel LpxC inhibitors targeting multiple drug resistant Pseudomonas aeruginosa. [PDF]

Sci Rep
Alanazi A, Younas S, Khan MU, Saleem H, Alruwaili M, Abdalla AE, Mazhari BBZ, Abosalif K, Ejaz H.   +8 more
europepmc   +1 more source

Resonant Domain Wall Dynamics in a Three‐Dimensional Magnetic Nano Double Helix

Advanced Materials, EarlyView.
3D magnetic nanostructures promise exciting possibilities for magnetization dynamics. However, experimental realizations remain scarce. In nanoprinted cobalt double helices, time‐resolved X‐ray microscopy reveals harmonic domain wall dynamics. Simulations identify the mode and additional higher‐frequency resonances, revealing a rich dynamic landscape ...
Pamela Morales‐Fernández, Iason Konstantinos‐Douveas, Claas Abert, Elina Zhakina, Sandra Ruiz‐Gómez, Claudia Fernández‐González, Luke Alexander Turnbull, Sebastian Wintz, Markus König, Simone Finizio, Markus Weigand, Naëmi Leo, Dieter Suess, Aurelio Hierro‐Rodríguez, Amalio Fernández‐Pacheco, Claire Donnelly   +15 more
wiley   +1 more source

Synthesis, molecular docking, pharmacological evaluation, MD simulation, and DFT calculations of quinazolin-12-one derivatives as PDK1 inhibitors. [PDF]

Nanoscale Adv
Sadeghian Z, Bayat M, Gheidari D.
europepmc   +1 more source

MD Simulation of Dip-Pen Nanolithofraphy

Proceedings of JSPE Semestrial Meeting, 2005
Hashimoto, Tsuyoshi, Yamada, Koichiro, Takezawa, Nobuhiro, Inamura, Toyoshiro   +3 more
openaire   +1 more source

Phase Engineering of Nanomaterials (PEN): Evolution, Current Challenges, and Future Opportunities

Advanced Materials, EarlyView.
This review summarizes the synthesis, phase transition, advanced characterization spanning ex situ to in situ and operando techniques, and diverse applications of phase engineering of nanomaterials (PEN). It further outlines key challenges and future opportunities, such as phase stability, architecture control, and artificial intelligence (AI)‐driven ...
Ye Chen, Zhanxi Fan, Jingjie Ge, Qiyuan He, Zhuangchai Lai, Jiawei Liu, Chaoliang Tan, Hua Zhang   +7 more
wiley   +1 more source