Results 191 to 200 of about 3,784,520 (317)

Reaction‐Time pH Stabilization by Poly(acrylic acid) with Ethanol‐Mediated Growth Control for Efficient Hydrothermal Sb2(S,Se)3 Solar Cells

Advanced Functional Materials, EarlyView.
Poly(acrylic acid) acts as a reaction‐time pH buffer during hydrothermal Sb2(S,Se)3 growth through its COOH/COO‐ equilibrium. When combined with ethanol‐regulated growth, this buffering strategy reduces Sb‐O related surface disorder, improves local electronic uniformity and carrier collection, and increases the champion solar‐cell efficiency to 10.25%,
Juhee Lee, Geumha Lim, Wookyung Jeon, Seongju Park, Jinwoo Chu, Yohan Yoon, William Jo, Byungha Shin   +7 more
wiley   +1 more source

In-silico identification and optimization of MMP-9 inhibitors for cerebral ischemia using structure based virtual screening, MD simulation, and binding free energy calculations. [PDF]

PLoS One
Zhang J, Zhang B, Feng H, Sheng C.
europepmc   +1 more source

MD Simulation of Metalcarbide cluster

Proceedings of National Heat Transfer Symposium, 2010
Inoue, Shuhei, Yoshida, Shinsuke, Matsumura, Yukihiko   +2 more
openaire   +1 more source

Role of Structural Disorder on Phonon Transport and Thermal Conductivity in Li6PS5Br

Advanced Functional Materials, EarlyView.
Solid electrolytes are fast ion and slow heat conductors. Although both transport properties are governed by lattice dynamics and atomic structure, their interplay remains poorly understood. Here, we study this interrelation in anion‐ordered and disordered Li6PS5Br.
Lukas Ketter, Ryoma Sasaki, Kyra Strotmann, Wolfgang G. Zeier, Yoshitaka Tateyama   +4 more
wiley   +1 more source

Computational identification of potential antifungal targets against Claviceps purpurea via MD simulation and MM/GBSA. [PDF]

Sci Rep
Alanzi AR, Alqahtani MJ, Alqahtani JH.
europepmc   +1 more source

A New Bioactive Glass‐Based Hybrid Bioink With Enhanced Cell Viability and Antibacterial Properties

Advanced Healthcare Materials, EarlyView.
Graphical illustration of the production and characterization process, demonstrating the multiple functions of the new hybrid gelatin methacryloyl‐silver‐bioactive glass (GAB) material. Created in https://BioRender.com. ABSTRACT Recent advances in three‐dimensional bioprinting (3DBP) technology enable the production of customized bone substitutes ...
Adam C. Marsh, Ehsanul Hoque Apu, Theofania Kleisoura, Romila Manchanda, Valerie Johnson, Ginger Ross, Ioannis Tsamesidis, Eleana Kontonasaki, DeMarcus Bunn, Ahmet Erdem, Neal D. Hammer, Kurt D. Hankenson, Christopher H. Contag, Nureddin Ashammakhi, Xanthippi Chatzistavrou   +14 more
wiley   +1 more source

Flavonols as potent inhibitors of tyrosinase & pancreatic lipase: synthesis, docking, MD simulation, DFT, and ADMET. [PDF]

Future Med Chem
Mughal EU, Naeem N, Jabeen A, Alsantali RI, Shafiq N, Shakoor B, Sadiq A, Bursal E, Korkmaz A, Al-Rooqi MM, Noreen Z, Ahmed SA.   +11 more
europepmc   +1 more source

Microfluidic Nano‐Assembly of Red‐Blood‐Cell (RBC) Lipids and Components for Engineering Extracellular Vesicles

Advanced Healthcare Materials, EarlyView.
Engineered red blood cell‐derived extracellular vesicles (eRBCEVs) are synthesized via controlled microfluidic assembly from native RBC lipids, enabling tunable encapsulation of proteins, nucleic acids, nanoparticles, and viral vectors. The platform demonstrates reproducible nanoscale architecture, preserved membrane composition, and functional cargo ...
Chiranth K. Nagaraj, Xilal Y. Rima, Kim T. Nguyen, Courtney Culkins, Nana Boateng, Jacob Doon‐Ralls, Alejandro Bresolin, Xin Huang, Hong Li, Vahedi Amid, Ajeet Pal Singh, Dharti Shantaram, Anastasiia Amari, Mangesh D. Hade, Nicholas R. Merriam, Zachary D. Schultz, Scott Q. Harper, Nizar Y. Saad, Setty M. Magaña, Willa A. Hsueh, Rachel E. Kopec, Blaise R. Kimmel, Andre F. Palmer, Eduardo Reátegui   +23 more
wiley   +1 more source

Chiral Recognition Mechanism of 2,13-Bis(hydroxymethyl)-[7]thiaheterohelicene on Ag(111) Investigated by STM and MD Simulation. [PDF]

Int J Mol Sci
Ye C, Hattori T, Hamamoto Y, Krukowski P, Saito A, Osuga H, Morikawa Y, Kuwahara Y.   +7 more
europepmc   +1 more source

Intelligent Orthopedics: Machine Learning in Diagnosis of Bone Disease, Implants, and Bone Health Monitoring

Advanced Healthcare Materials, EarlyView.
Efficient recovery from traumatic or degenerative diseases is a great challenge, even after all the advancements in bone and cartilage regeneration. Machine learning (ML) algorithms have presented opportunities to enhance these aspects by accurately analyzing imaging data.
Maryam Kamaei, Hesam Mohammadi, Shamim Golafshan, Mojtaba Alehosseini, Mahsa Mohammadzadeh, Atefeh Golshirazi, Nasim Golafshan, Tatiane Eufrásio‐da‐Silva, Alireza Dolatshahi‐Pirouz, Gorka Orive   +9 more
wiley   +1 more source