Results 171 to 180 of about 603,627 (298)

Mechanism of OH*-Modified 4H-SiC Surface with Scratches Based on ReaxFF MD Simulation. [PDF]

Micromachines (Basel)
Yan D, Huang H, Xue M, Duan N.
europepmc   +1 more source

Elucidating the Role of Surface Ligands on the Oxidative Etching of Au Bipyramids During Photothermia Using Liquid Cell Transmission Electron Microscopy

Advanced Functional Materials, EarlyView.
Gold bipyramids can act as efficient plasmonic nanoheaters, but they often reshape during laser heating. This study shows that oxygen nanobubbles drive oxidative etching and that surface ligands control stability. CTAB‐ and citrate‐coated particles blunt and lose optical performance, whereas polystyrene sulfonate preserves shape and heating by ...
Irene López‐Sicilia, Valentina Girelli Consolaro, Sophie Marbach, Nancy Rahbany, Grégoire Petit, Ovidiu Ersen, Juan J. Giner‐Casares, Ali Abou‐Hassan   +7 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

Toward Stable Multivalent Metal Batteries: Understanding the Interfacial Chemistry for Magnesium and Calcium Metal Anodes

Advanced Functional Materials, EarlyView.
Interphase chemistry governs the stability of multivalent metal batteries. We summarize state‐of‐the‐art developments in calcium and magnesium metal batteries by focusing on the correlation among electrolytes, interphase layers, and the electrochemical performance of corresponding metal anodes.
Huijun Lin, Qi Meng, Juncai Long, Chuheng Cao, Zheng‐Long Xu   +4 more
wiley   +1 more source

Molecular docking analysis of subtilisin-like alkaline serine protease (SLASP) and laccase with natural biopolymers

Open Chemistry
Narayanaswamy Radhakrishnan, Prabhakaran Vasantha-Srinivasan, Al-Otibi Fatimah Oleyan, Alharbi Raedah Ibrahim, Ibrahim Kalibulla Syed   +4 more
doaj   +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

Tissue‐Stimulator Platform for Electrically Stimulating Pancreatic β‐Cells for Long‐Term Functional Regulation

Advanced Functional Materials, EarlyView.
We present a tissue‐stimulator platform for seamless electrode integration with pancreatic tissue, applying uniform electrical stimulation through optimized design with biohybrid 3D printing. Advantageous effects of electrical stimulation on β‐cell function were observed, including enhanced calcium signaling, islet morphology, and maturation.
Jihwan Kim, Uijung Yong, Myungji Kim, Jaewook Kim, Yeonggwon Jo, In Kyong Shim, Song Cheol Kim, Jinah Jang   +7 more
wiley   +1 more source

Synergistic effect of the rifaximin-berberine combination against <i>Klebsiella pneumoniae</i>: RfaH targeting supported by MD simulation.

Biomol Biomed
Ashraf A, Khan MA, Choudhury A, Kumari S, Alotaibi BS, Noor S, Adnan M, Hassan MI.   +7 more
europepmc   +1 more source

Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems

Advanced Functional Materials, EarlyView.
MXenes, as two‐dimensional transition metal carbides and nitrides, demonstrate remarkable capabilities for multifunctional sensing applications. This review systematically examines multi‐scale interface engineering approaches that enhance sensing performance, enable diverse detection functionalities, and improve system‐level compatibility in MXene ...
Jiaying Liao, Sin‐Yi Pang, Jianhua Hao
wiley   +1 more source

Discovery of Novel Inhibitors of <i>Aspergillus fumigatus</i> DHODH via Virtual Screening, MD Simulation, and In Vitro Activity Assay. [PDF]

Molecules
Li K, Xia W, Zhang JZH.
europepmc   +1 more source