Results 181 to 190 of about 1,797,412 (279)

Prediction of thermophysical properties of R-454B based on molecular dynamic simulation and SAFT-based equation of state. [PDF]

Sci Rep
Altalbawy FMA, Sead FF, Jhala R, Ramachandran T, Hamid JA, Shankhyan A, Karthikeyan A, Thatoi DN.   +7 more
europepmc   +1 more source

Double Helical Plasmonic Antennas

Advanced Functional Materials, EarlyView.
Plasmonic double helical antennas funnel circularly polarized light to the nanoscale, offering strong chiroptical interaction and directional light emission. Extending a single helix design tool, this study combines numerical modeling with experimental validation, revealing large, broadband dissymmetry factors in the visible range.
Aleksei Tsarapkin, Luka Zurak, Krzysztof Maćkosz, Lorenz Löffler, Victor Deinhart, Ivo Utke, Thorsten Feichtner, Katja Höflich   +7 more
wiley   +1 more source

Mechanism of nimodipine in treating neurodegenerative diseases: in silico target identification and molecular dynamic simulation. [PDF]

Front Pharmacol
Zheng S, Wang Y, Tang S, Guo Y, Ma D, Jiang X.   +5 more
europepmc   +1 more source

Defect Analysis of the β– to γ–Ga2O3 Phase Transition

Advanced Functional Materials, EarlyView.
The role of defects at all the relevant stages of the β$\beta$‐ to γ$\gamma$‐Ga2O3 polymorph transition is investigated using a multi method approach. The positron annihilation spectroscopy based results show that the defect density decreases after the transition, and that changes in defect configuration within the γ phase occur with increasing ...
Umutcan Bektas, Maciej O. Liedke, Huan Liu, Fabian Ganss, Maik Butterling, Nico Klingner, René Hübner, Ilja Makkonen, Andreas Wagner, Gregor Hlawacek   +9 more
wiley   +1 more source

Identification of potential inhibitors of the main protease from feline infectious peritonitis virus using molecular docking and dynamic simulation approaches. [PDF]

PeerJ
Khan MY, Shah AU, Duraisamy N, Moawad N, ElAlaoui RN, Cherkaoui M, Hemida MG.   +6 more
europepmc   +1 more source

Emergence of Light‐Transforming Layered Hybrid Halide Perovskites

Advanced Functional Materials, EarlyView.
The emerging class of light‐transforming layered halide perovskite materials is reviewed, outlining challenges for their development and perspectives toward application in the future. Abstract Layered hybrid halide perovskites (LHPs) have attracted considerable attention in optoelectronics.
Ghewa AlSabeh, Jovana V. Milić
wiley   +1 more source

The HER2 target for designing novel multi-peptide vaccine against breast cancer using immunoinformatics and molecular dynamic simulation. [PDF]

Biochem Biophys Rep
Firuzpour F, Barancheshmeh M, Ziarani FF, Karami L, Aram C.   +4 more
europepmc   +1 more source

CO2 Reduction on Copper‐Nitrogen‐Doped Carbon Catalysts Tuned by Pulsed Potential Electrolysis: Effect of Pulse Potential

Advanced Functional Materials, EarlyView.
This study demonstrates that pulsed potential electrolysis significantly improves CO2 reduction performance on copper‐nitrogen doped carbon electrodes. The formation of cationic copper sites and metallic clusters as a function of applied intermittent potential leads to notable selectivity changes compared to potentiostatic reduction.
Dorottya Hursán, Janis Timoshenko, Andrea Martini, Hyo Sang Jeon, Eduardo Ortega, Martina Rüscher, Arno Bergmann, Aram Yoon, Uta Hejral, Antonia Herzog, Clara Rettenmaier, Felix T. Haase, Philipp Grosse, Beatriz Roldan Cuenya   +13 more
wiley   +1 more source

Long-term dynamic simulation of cellular systems with inhomogeneous mass distribution. [PDF]

Multibody Syst Dyn
Rabiei M, Albaruni MASI, Joshi V, Cho M, Bowling A.   +4 more
europepmc   +1 more source

Fast‐Responding O2 Gas Sensor Based on Luminescent Europium Metal‐Organic Frameworks (MOF‐76)

Advanced Functional Materials, EarlyView.
Luminescent MOF‐76 materials based on Eu(III) and mixed Eu(III)/Y(III) show rapid and reversible changes in emission intensity in response to O2 with very short response times. The effect is based on triplet quenching of the linker ligands that act as photosensitizers. Average emission lifetimes of a few milliseconds turn out to be mostly unaffected by
Zhenyu Zhao, Christian Weinberger, Jakob Steube, Matthias Bauer, Martin Brehm, Michael Tiemann   +5 more
wiley   +1 more source