Results 201 to 210 of about 336,307 (265)

Charge‐Polarized Ni─S4 Single‐Atom Sites Drive Selective Photoreforming of Poly(lactic acid) to Lactate and Hydrogen

Advanced Functional Materials, EarlyView.
Atomically dispersed Ni–S4 sites on CdS nanorods induce interfacial charge polarization, directing photogenerated electrons to H2 evolution and holes to selective ester‐bond cleavage of poly(lactic acid). Without sacrificial reagents, this charge‐coupled system produces lactate while suppressing overoxidation, achieving an H2 evolution rate of 41.74 ...
Yu Yao, Panpan Zhang, Jinqiang Zhang, Xi‐lin Wu, Tara Pukala, Yifei Wang, Bernt Johannessen, Shaobin Wang, Xiaoguang Duan   +8 more
wiley   +1 more source

Quantifying Membrane Structure and Dynamics during Bioproduct Production in <i>Zymomonas mobilis</i> by Molecular Simulation. [PDF]

J Phys Chem B
Singh NK, Vermaas JV.
europepmc   +1 more source

Photoinduced Charge Separation in Single‐Component Squaraine Films: The Key Role of Electrostatic Disorder

Advanced Functional Materials, EarlyView.
ABSTRACT Neat films of organic dyes are an interesting technological platform for solar cells and photodetectors. Recently, the conventional biphasic bulk‐heterojunction paradigm for photoinduced charge separation was challenged by the observation that charge carriers can be photogenerated in single‐component materials. A comprehensive experimental and
Davide Giavazzi, João Pedro Ferreira Assunção, Michael Bauer, Matthias Diethelm, Wei‐Hsu Hu, Mohammad Jafarpour, Roland Widmer, Antonia Neels, Dimitrios Sapalidis, Bruno F. B. Silva, Roland Hany, Frank Nüesch, Anna Painelli   +12 more
wiley   +1 more source

Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions. [PDF]

Chem Rev
Rahbari A, Chakrapani TH, Shuang F, Krokidas P, Habibi P, Lagerweij VJ, Ramdin M, Vlugt TJH, Hajibeygi H, Dey P, Tsimpanogiannis IN, Moultos OA.   +11 more
europepmc   +1 more source

Sacrificial‐Layer‐Assisted Heat‐Affected‐Zone Suppression in Laser Patterning of PET for High‐Performance Flexible Devices

Advanced Functional Materials, EarlyView.
A removable sacrificial polymer layer engineers the thermal boundary condition during nanosecond laser ablation of PET, suppressing heat‐affected‐zone formation without relying on costly ultrafast lasers. This strategy enables deep, high‐aspect‐ratio trenches with no detectable heat‐affected zone, templating silver‐filled mesh electrodes with record ...
Mehdi Zarei, Mirza Sahaluddin, Mostafa Bedewy, Paul W. Leu   +3 more
wiley   +1 more source

Nano Borophene as a Programmable 2D Scaffold for Organized DNA Assembly and Long‐Range Energy Transfer

Advanced Functional Materials, EarlyView.
Borophene is introduced as a programmable 2D bio‐interface that organizes DNA through dual boron–sulfur and nucleobase interactions. This molecular architecture enables efficient long‐range nanosurface energy transfer, establishing new design principles for functional nano–bio interfaces and amplification‐free optical biosensing.
Teresa Aditya, Pranay Saha, John M. Sansalone, Shraddha Krishnakumar, Matthew Molinaro, André J. van der Vlies, Nada Maher, Adrienne Griffiths, Zakhro Zakirova, Ketan Dighe, Narayana R. Aluru, Dipanjan Pan   +11 more
wiley   +1 more source

Molecular simulation-based 3D structural construction of olfactory receptor with agonist binding. [PDF]

J Comput Aided Mol Des
Hirao T, Ihara Y, Ijichi C, Kudo G, Yoshino R, Hirokawa T.   +5 more
europepmc   +1 more source

Nitride MXenes Beyond Carbides: Bridging the Gap Between Computational Prediction and Experimental Realization

Advanced Functional Materials, EarlyView.
Nitride MXenes remain constrained by a persistent gap between computational prediction and experimental realization. This Review identifies the thermodynamic, kinetic, and chemical barriers limiting their synthesis, critically evaluates emerging fabrication routes, and proposes a multidimensional computational‐experimental framework to accelerate the ...
Naresh Varnakavi, Masoud Soroush
wiley   +1 more source

Network pharmacology and molecular simulation reveal the entourage effect mechanisms of psilocybin-producing mushrooms on the brain. [PDF]

Sci Rep
Murray Z, Lewies A, Wentzel JF, Schutte-Smith M, Erasmus E, Noreljaleel A, Visser H, Wilhelm A, Issahaku AR.   +8 more
europepmc   +1 more source

Deciphering the molecular network of Trichostatin A in regulating Alzheimer's disease screening of core genes and mechanistic investigation based on multidimensional bioinformatics and molecular simulation. [PDF]

PLoS One
Ou C, Chen B, Deng J, Long H.
europepmc   +1 more source