Results 171 to 180 of about 312,196 (245)

From Single Atoms to Nanoparticles: Pathways Toward Efficient and Durable Pt/TiO2 Photocatalysts

Advanced Functional Materials, EarlyView.
Platinum single atoms on TiO2 nanosheets evolve into clusters and nanoparticles under ethanol photoreforming and thermal treatments. By controlling deposition and post‐treatments, particle size and location on specific facets are modulated. The study reveals how stability pathways determine efficiency, guiding the design of more durable photocatalysts.
Juan José Delgado, Enqi Bu, Yaning Han, Carlos López‐Cartes, Mónica Calatayud, Huiyan Pan, Xiaowei Chen   +6 more
wiley   +1 more source

Hyperthermophilic xylanase and thermophilicity analysis by molecular dynamic simulation with quantum mechanics. [PDF]

Appl Microbiol Biotechnol
Boonyapakron K, Keiser B, Prabmark K, Aiewviriyasakul K, Arunrattanamook N, Jaruwat A, Chitnumsub P, Li JY, Wong TS, Zhao XQ, Liu CG, Wei DQ, Champreda V.   +12 more
europepmc   +1 more source

Role of Histidine‐Containing Peptoids in Accelerating the Kinetics of Calcite Growth

Advanced Functional Materials, EarlyView.
Amphiphilic histidine‐containing peptoids mimic carbonic anhydrase (CA) to accelerate calcite step growth. In the presence of Zn2+, they promote the deprotonation of HCO3−, the desolvation of Ca2+, and the reorganization of interfacial hydration layers, thereby reducing the activation barrier for calcite growth.
Mingyi Zhang, Ying Chen, Chenyang Shi, Progyateg Chakma, James J. De Yoreo, Chun‐Long Chen   +5 more
wiley   +1 more source

Structure-based molecular screening and dynamic simulation of phytocompounds targeting VEGFR-2: a novel therapeutic approach for papillary thyroid carcinoma. [PDF]

Front Pharmacol
Wang S, Zhang L, Zhang W, Zeng X, Mei J, Xiao W, Yang L.   +6 more
europepmc   +1 more source

Photoconductivity‐Driven Quantum Efficiency Gain in Inorganic Ruddlesden‐Popper Layered Cs2PbBr2I2 Perovskite Photodetector for Visible Light Detection

Advanced Functional Materials, EarlyView.
Rational halogen mixing strategy was employed to shift the bandgap of Cs2PbBr2I2 from ultraviolet to visible region, enabling first realization of a visible‐light photodetector with this 2D layered Ruddlesden‐Popper perovskite material. Under illumination, light‐induced internal field forms and drives trap‐mediated persistent photoconductivity ...
Md Fahim Al Fattah, Asif Abdullah Khan, Saikiran Khamgaonkar, Majid Haji Bagheri, Danyah Khan, Md Rasidul Islam, Mahmoud Almadoun, Aixi Pan, Alexander Li, Marwa Abd‐Ellah, Vivek Maheshwari, Dayan Ban   +11 more
wiley   +1 more source

RETRACTED: Yang et al. Design and Dynamic Simulation of a Novel Traveling Wave Linear Ultrasonic Motor. <i>Micromachines</i> 2022, <i>13</i>, 557. [PDF]

Micromachines (Basel)
Yang L, Yao K, Ren W, Chen L, Yang M, Zhao R, Tang S.   +6 more
europepmc   +1 more source

Lithium Intercalation in the Anisotropic Van Der Waals Semiconductor CrSBr

Advanced Functional Materials, EarlyView.
We report the lithium intercalation in the layered van der Waals crystal CrSBr, revealing strongly anisotropic ion‐migration dynamics. Optical and electrical characterization of exfoliated CrSBr shows lithium diffusion coefficients that differ by more than an order of magnitude along a‐ and b‐directions, consistent with molecular dynamics simulations ...
Kseniia Mosina, Aljoscha Söll, Jiří Šturala, Martin Veselý, Petr Levinsky, Ondřej Kaman, Florian Dirnberger, Giuliana Materzanini, Nicola Marzari, Gian‐Marco Rignanese, Borna Radatović, Vlastimil Mazánek, David Sedmidubský, Zdeněk Sofer   +13 more
wiley   +1 more source

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Computational Modelling of Tunicamycin C Interaction with Potential Protein Targets: Perspectives from Inverse Docking with Molecular Dynamic Simulation. [PDF]

Curr Issues Mol Biol
Naidoo V, Achilonu I, Mirza S, Hull R, Kandhavelu J, Soobben M, Penny C.   +6 more
europepmc   +1 more source

Switchable Supramolecular Adhesive by Tuning Interfacial Bonding and Modulus

Advanced Functional Materials, EarlyView.
The supramolecular adhesive (HyDiP) shows reversible adhesion and recyclability. In the dehydrated state, it is dense, stiff (E ≈445 MPa), transparent, and provides strong bonding with adhesion strengths up to 4.65 MPa. In the hydrated state, it becomes porous, soft (E ≈0.11 MPa), and detaches easily, enabling sustainable high‐strength applications ...
Rumin Fu, Cairong Xiao, Zihao Du, Changhong Linghu, Yongdong Shi, Chuyang Xiang, Mingxin Wan, Guoxin Tan, Limin Lu, Chengyun Ning, K Jimmy Hsia   +10 more
wiley   +1 more source