Results 221 to 230 of about 3,784,520 (317)

Sub‐Nanometer Curvature Unlocks Quantum Orbital Flexoelectricity in Graphene

Advanced Materials, EarlyView.
In self‐assembled, reproducible, large‐area, quasi‐pristine graphene nanowrinkles, extreme curvature forces out‐of‐plane π‐electrons toward hybridization, driving a transition from classical to quantum orbital flexoelectricity. As curvature approaches the fundamental physical limit set by the C─C bond length, the resulting polarization increases by ...
Sathvik Ajay Iyengar, James G. McHugh, Jonathan P. Salvage, Robert Vajtai, Venkataramana Gadhamshetty, Alan B. Dalton, Manoj Tripathi, Pulickel M. Ajayan, Vincent Meunier   +8 more
wiley   +1 more source

Microheterogeneity in Liquid Water Associated with Hydrogen-Bond Cooperativity-IR Spectroscopic and MD Simulation Study of Temperature Effect. [PDF]

Int J Mol Sci
Filipczak P, Kozanecki M, Szala-Rearick J, Swiatla-Wojcik D.   +3 more
europepmc   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Synthesis of 3-(arylamino) quinazoline-2,4(1H,3H)-dione derivatives via TBHP/I2: Molecular docking, MD simulation, DFT, and pharmacological evaluation as MTH1 inhibitors. [PDF]

PLoS One
Karim MG, Mehrdad M, Gheidari D, Gheidari NZ.   +3 more
europepmc   +1 more source

In Vivo Monitoring of Thrombo‐Inflammatory Biomarkers via Molecularly Imprinted Polymer‐Integrated Hydrogel Microneedles

Advanced Materials, EarlyView.
A wearable electrochemical microneedle patch integrates Prussian Blue redox transduction with molecularly imprinted polymer recognition for reagent‐free sampling and detection of thrombo‐inflammatory biomarkers in dermal interstitial fluid. The platform tracks thrombin and inflammatory cytokines with sensitive in vitro, ex vivo, and in vivo performance,
Mahmoud Ayman Saleh, Peyman GhavamiNejad, Arash Khorrami Jahromi, Sanjana Srikant, Sripadh Guptha Yedire, Fatemeh Keyvani, Roozbeh Siavash Moakhar, Sajad Shiekh, Mackenzie Graham, Joe Quadrilatero, Mahla Poudineh, Sara Mahshid   +11 more
wiley   +1 more source

Unraveling the Specific Recognition Between PD-L1 and Engineered CLP002 Functionalized Gold Nanostructures: MD Simulation Studies. [PDF]

Molecules
Giannetti M, Gobbo M, Litti L, Caligiuri I, Rizzolio F, Meneghetti M, Mazzuca C, Palleschi A.   +7 more
europepmc   +1 more source

Neuromorphic Electronics for Intelligence Everywhere: Emerging Devices, Flexible Platforms, and Scalable System Architectures

Advanced Materials, EarlyView.
The perspective presents an integrated view of neuromorphic technologies, from device physics to real‐time applicability, while highlighting the necessity of full‐stack co‐optimization. By outlining practical hardware‐level strategies to exploit device behavior and mitigate non‐idealities, it shows pathways for building efficient, scalable, and ...
Kapil Bhardwaj, Roshni Satheesh Babu, Yuxin Xia, Eva Bestelink, Radu Sporea, Nikos Hastas, Ioannis Zeimpekis, Dimitra G. Georgiadou, Sayani Majumdar   +8 more
wiley   +1 more source

Split Membrane: A New Model to Accelerate All-Atom MD Simulation of Phospholipid Bilayers. [PDF]

J Chem Inf Model
Hazrati MK, Sukeník L, Vácha R.
europepmc   +1 more source

Hydrogel‐Based Airway‐on‐Tube With Perfusable Endothelial Lumen and Outward Epithelialization

Advanced Materials, EarlyView.
A hydrogel‐based airway‐on‐tube platform featuring a perfusable endothelial lumen and outward epithelialization is presented. The system supports primary human bronchial epithelial and lung microvascular endothelial coculture under air‐liquid interface conditions.
Ali Doryab, Jack F. Murphy, Michael Bartolf‐Kopp, Jenny C‐C Hsin, Alice Chernaik, Frank McCaughan, Yan Yan Shery Huang, Tomasz Jungst, Jürgen Groll   +8 more
wiley   +1 more source

Molecular Insights into the Temperature-Dependent Binding and Conformational Dynamics of Noraucuparin with Bovine Serum Albumin: A Microsecond-Scale MD Simulation Study. [PDF]

Pharmaceuticals (Basel)
Bahena-Culhuac E, Bello M.
europepmc   +1 more source