Results 221 to 230 of about 1,053,365 (324)

DNA Nanostructure‐Templated Multivalency Enables Broad‐Spectrum Virus Inhibition

Advanced Science, EarlyView.
A honeycomb‐shaped DNA nanostructure is introduced that organizes nanobodies or aptamers into trimeric clusters mirroring the native hemagglutinin arrangement on influenza viruses. This geometry‐matched multivalency enhances binding avidity by up to 1000‐fold, resulting in robust, broad‐spectrum viral neutralization and a 30–55% improvement in host ...
Saurabh Umrao, Abhisek Dwivedy, Dhanush Gandavadi, Chi Chen, Lifeng Zhou, Jinwei Duan, Vineetha Mareddy, Ying Fang, Xing Wang   +8 more
wiley   +1 more source

Accelerated Free Energy Estimation in <i>Ab Initio</i> Path Integral Monte Carlo Simulations. [PDF]

J Phys Chem Lett
Svensson P, Kalkavouras F, Hernandez Acosta U, Moldabekov ZA, Tolias P, Vorberger J, Dornheim T.   +6 more
europepmc   +1 more source

Ab initio molecular simulations with numeric atom-centered orbitals

Computer Physics Communications, 2009
V. Blum, Ralf Gehrke, F. Hanke, P. Havu, V. Havu, X. Ren, K. Reuter, M. Scheffler   +7 more
semanticscholar   +1 more source

Intercalation‐Induced Phase Transitions in Ferroelectric α‐In2Se3

Advanced Science, EarlyView.
Using the electrolyte gating technique, the van der Waals ferroelectric semiconductor α‐In2Se3 undergoes a series of transitions from a ferroelectric semiconductor to a dirty metal and finally to a metal, accompanied by a structural transformation. Concurrently, the ferroelectric hysteresis window progressively narrows and eventually disappears with ...
Xin He, Zhihao Gong, Tao Wang, Baoyu Wang, Chen Liu, Ding Wang, Yinchang Ma, Pu Feng, Chenhui Zhang, Weijin Hu, Kai Liu, Hua Wang, Xixiang Zhang   +12 more
wiley   +1 more source

Ab Initio Accuracy Neural Network Potential for Drug-Like Molecules. [PDF]

Research (Wash D C)
Yang M, Zhang D, Wang X, Li B, Zhang L, E W, Zhu T, Wang H.   +7 more
europepmc   +1 more source

ZIF‐67‐Confined Pd Single‐Atom Catalysts Implanted Into Polydopamine‐Modified Bamboo Microchannels for Robust Continuous‐Flow Hydrogenation

Advanced Science, EarlyView.
The report presents a facile room‐temperature method to stabilize Pd single‐atom catalysts within ZIF‐67 crystals during their formation. Despite an ultralow Pd loading (0.0014 wt%), the catalytic microreactor, featuring atomically dispersed Pd‐N4 sites in ZIF‐67, demonstrates superior robustness and maximized Pd utilization, significantly ...
Sisi Yao, Jiawei Han, Wenjun Zhang, Dengkang Guo, Shenjie Han, Yun Lu, Jingpeng Li   +6 more
wiley   +1 more source

Ultrafast Spin Dynamics in 2D Fully Compensated Ferrimagnets: A Time-Dependent Ab Initio Study. [PDF]

J Phys Chem Lett
Li S, Wang R, Frauenheim T, Guo S, Zhou Z, He J.   +5 more
europepmc   +1 more source

An Advanced High‐Performance Ultrafast Ammonium‐Ion Aqueous Battery Based on Dual‐Metal Redox Open Framework Molecular Magnet

Advanced Science, EarlyView.
The Prussian Blue Analogue molecular magnet KMnFeHCF is demonstrated as a high‐performance cathode for ultra‐fast aqueous ammonium‐ion batteries. A full cell using KMnFeHCF and graphite delivers ~71 mAh g−1 at 1.25 A g−1 and ~51 mAh g−1 at 2.2 A g−1, retaining 50% capacity after 1850 cycles. Its scalability, cycling stability, and low cost offer strong
Nilasha Maiti, Pramod Bhatt, Manoj K Sharma, Sher Singh Meena, Mayuresh D Mukadam, Soumen Samanta   +5 more
wiley   +1 more source

Studying the Hemibond: High-Level <i>Ab Initio</i> Calculations on Complexes of Atomic Fluorine with Halogenated Organic Molecules. [PDF]

J Phys Chem A
Bucher G.
europepmc   +1 more source

Enhancing Cycling Stability of Aqueous Aluminum‐Metal Batteries via LaCl3‐Modulated Interfacial Reactions

Advanced Science, EarlyView.
In the aqueous AlCl3 electrolyte of aluminum‐metal batteries, the introduction of LaCl3 adjusts the solvation structure of Al3+ and enhances its diffusion level. The oxide precipitate formed by La3+ covers the aluminum metal anode and effectively alleviates corrosion reactions, thereby improving the cycling stability of the battery.
Yanshen Gao, Karol Załęski, Emerson Coy, Błażej Scheibe, Kacper Szymański, Qingshan Yang, Ewa Mijowska, Xianjie Liu, Ran Jia, Dariusz Moszyński, Linfeng Hu, Rudolf Holze, Xuecheng Chen   +12 more
wiley   +1 more source