AIMC Topic: Surface Properties

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Data-Driven Machine Learning Framework for the Regulation of Protein Adsorption on Surfaces.

Langmuir : the ACS journal of surfaces and colloids
Protein adsorption on surfaces is a highly complex process, governed by intricate interactions between protein, surface and surrounding environment. However, accurately predicting protein adsorption amounts and precisely controlling adsorption behavi...

Machine Learning for the Prediction of Size and Encapsulation Efficiency of mRNA-Loaded Lipid Nanoparticles Following a Postencapsulation Approach.

ACS applied bio materials
Lipid nanoparticles (LNPs) have gained significant attention thanks to their ability to encapsulate and deliver mRNA. Exploring a variety of lipid compositions and different preparation processes is essential for a better understanding of the mRNA en...

Combining crystal engineering and surface engineering to estimate the structure -functions relationship of Tafamidis solid state forms with the aid of machine learning.

International journal of pharmaceutics
The mutual benefits of surface engineering and crystal engineering led to the discovery of a pharmaceutical cocrystal with balanced biopharmaceutical properties. The surface engineering of a pharmaceutical API (Active Pharmaceutical Ingredient), name...

Pluronic nanoparticle-modified modular bacterial robots for therapy of tumors and inflammatory bowel disease.

Journal of materials chemistry. B
Bacterial-mediated drug delivery has emerged as a promising strategy for disease treatment, leveraging bacteria's innate ability to penetrate biological barriers and target diseased tissues. However, existing bacteria-nanoparticle hybrid systems ofte...

Predicting human tactile smoothness/roughness perception from multidimensional mechanical properties of synthetic fibers using machine learning.

Scientific reports
Accurately predicting human perception of tactile roughness remains challenging because previous models often used limited mechanical properties, small sample sizes, and insufficient validation methods. To address these limitations, we developed a pr...

Flexible Porous ACH/Ag Surface-Enhanced Raman Scattering Platform for Sensitive Detection and Machine-Learning-Assisted Classification of Multiple Pathogenic Bacteria.

Analytical chemistry
Pathogenic bacteria pose serious threats to public health and environmental safety. Conventional colony counting, a standard method for bacterial detection, is time-consuming and unsuitable for rapid on-site detection. In this work, a flexible ACH/Ag...

Cortical surface electric field estimation for real-time TMS with graph neural networks.

Physics in medicine and biology
Transcranial magnetic stimulation is a non-invasive neurostimulation and neuromodulation technique that induces electric fields (-fields) in the brain via a coil placed over the scalp. Our objective is to develop a real-time estimation method for the...

Ag+ modified paper-based SERS combined with SiPLS for quantitative detection of soluble As3+ in aqueous realgar solutions.

Analytica chimica acta
The detection of soluble arsenic in realgar and its preparations is crucial for toxicity evaluation. Therefore, surface-enhanced Raman spectroscopy (SERS) combined with machine learning was applied for the rapid detection of soluble As3+ in realgar a...

Thermodynamic Microenvironment Engineering in Mesoporous Nanoreactors to Enhance Biocatalysis for AI-Empowered Ultrasensitive Pathogen Detection.

Analytical chemistry
Harmonizing enzyme-support microenvironments to govern thermodynamic interaction landscapes presents a critical yet underexplored frontier in nanobiocatalysis for pathogen detection. Herein, we architecturally engineer mesoporous resorcinol formaldeh...

Segmentation for Learning Adsorption Patterns and Residence-Time Kinetics on Amorphous Surfaces.

Journal of chemical information and modeling
Heterogeneous surfaces such as amorphous silica are characterized by highly heterogeneous local atomic environments that govern the adsorption of gas molecules through spatial arrangements. These surfaces exhibit properties that are particularly rele...