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Probing the Interaction Mechanisms of Dodecane and Mica/Calcite: Implications for Oil Recovery.
Langmuir
January 2025
School of Minerals Processing and Bioengineering, Central South University, Changsha 410083, P. R. China.
Understanding the interfacial interaction mechanisms between oil and minerals is of vital importance in the applications of petroleum production and environmental protection. In this work, the interactions of dodecane with mica and calcite in aqueous media were investigated by using the drop probe technique based on atomic force microscopy. For the dodecane-mica interactions, the electrical double layer (EDL) repulsion dominated in 10 mM NaCl solution, and a higher pH facilitated the detachment of dodecane.
View Article and Find Full Text PDFData-Driven Equation-Free Dynamics Applied to Many-Protein Complexes: The Microtubule Tip Relaxation.
Biophys J
January 2025
Department of Chemistry, Chicago Center for Theoretical Chemistry, The James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States. Electronic address:
Microtubules (MTs) constitute the largest components of the eukaryotic cytoskeleton and play crucial roles in various cellular processes, including mitosis and intracellular transport. The property allowing MTs to cater to such diverse roles is attributed to dynamic instability, which is coupled to the hydrolysis of GTP (guanosine-5'-triphosphate) to GDP (guanosine-5'-diphosphate) within the β-tubulin monomers. Understanding the equilibrium dynamics and the structural features of both GDP- and GTP-complexed MT tips, especially at an all-atom level, remains challenging for both experimental and computational methods because of their dynamic nature and the prohibitive computational demands of simulating large, many-protein systems.
View Article and Find Full Text PDFBiofunctionalized patterned platform as microarray biochip to supervise delivery and expression of pDNA nanolipoplexes in stem cells via mechanotransduction.
J Nanobiotechnology
January 2025
School of Medicine, Shanghai University, Shanghai, 200444, China.
Biochips are widely applied to manipulate the geometrical morphology of stem cells in recent years. Patterned antenna-like pseudopodia are also probed to explore the influence of pseudopodia formation on gene delivery and expression on biochips. However, how the antenna-like pseudopodia affect gene transfection is unsettled and the underlying trafficking mechanism of exogenous genes in engineered single cells is not announced.
View Article and Find Full Text PDFBoosting Thermal Generation in Cation-Exchanged Transparent MXene Composite Films with Hierarchical Wrinkled Structure.
ACS Appl Mater Interfaces
January 2025
School of Integrated Circuits and Electronics, Beijing Institute of Technology, Beijing 100081, P. R. China.
Efficient thermal generation from solar/electric energy in transparent films remains challenging due to the limited toolbox of high-performance thermal generation materials and methods for microstructure engineering. Here, we proposed a two-step strategy to introduce hierarchical wrinkles to the MXene composite films with high transparency, leading to upgraded photo/electrothermal conversion efficiency. Specifically, the thin film contains protic acid-treated MXene layers assembled with Ag nanowires (H-MXene/Ag NWs).
View Article and Find Full Text PDFNormalized Protein-Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening.
J Chem Inf Model
January 2025
Department of Chemistry, New York University, New York, New York 10003, United States.
Molecular Docking is a critical task in structure-based virtual screening. Recent advancements have showcased the efficacy of diffusion-based generative models for blind docking tasks. However, these models do not inherently estimate protein-ligand binding strength thus cannot be directly applied to virtual screening tasks.
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