AIMC Topic: Surface Properties

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Protein Classes Predicted by Molecular Surface Chemical Features: Machine Learning-Assisted Classification of Cytosol and Secreted Proteins.

The journal of physical chemistry. B
Chemical structures of protein surfaces govern intermolecular interaction, and protein functions include specific molecular recognition, transport, self-assembly, etc. Therefore, the relationship between the chemical structure and protein functions p...

Surface enhanced Raman spectroscopy and machine learning for identification of beta-lactam antibiotics resistance gene fragment in bacterial plasmid.

Analytica chimica acta
BACKGROUND: Antibiotic resistance stands as a critical medical concern, notably evident in commonly prescribed beta-lactam antibiotics. The imperative need for expeditious and precise early detection methods underscores their role in facilitating tim...

Rapid Identification of Drug Mechanisms with Deep Learning-Based Multichannel Surface-Enhanced Raman Spectroscopy.

ACS sensors
Rapid identification of drug mechanisms is vital to the development and effective use of chemotherapeutics. Herein, we develop a multichannel surface-enhanced Raman scattering (SERS) sensor array and apply deep learning approaches to realize the rapi...

Improving accuracy and efficiency of the machined PEEK denture based on NSGA-II integrated GABP neural network.

Dental materials : official publication of the Academy of Dental Materials
OBJECTIVES: The polymer polyetheretherketone (PEEK) is gradually being used in dental restorations because of its excellent mechanical properties, chemical resistance, fatigue resistance, thermal stability, radiation translucency and good biocompatib...

Biomimetic fusion: Platyper's dual vision for predicting protein-surface interactions.

Materials horizons
Predicting protein binding with the material surface still remains a challenge. Here, a novel approach, platypus dual perception neural network (Platyper), was developed to describe the interactions in protein-surface systems involving bioceramics wi...

Molybdenum Disulfide-Assisted Spontaneous Formation of Multistacked Gold Nanoparticles for Deep Learning-Integrated Surface-Enhanced Raman Scattering.

ACS nano
Several fabrication methods have been developed for label-free detection in various fields. However, fabricating high-density and highly ordered nanoscale architectures by using soluble processes remains a challenge. Herein, we report a biosensing pl...

Au nanozyme-based colorimetric sensor array integrates machine learning to identify and discriminate monosaccharides.

Journal of colloid and interface science
As different monosaccharides exhibit different redox characteristics, this paper presented a novel colorimetric sensor array based on the glucose oxidase-like (GOx-like) activity of Au nanoparticles (NPs) for monosaccharides identification. AuNPs can...

Machine-Learning-Aided Understanding of Protein Adsorption on Zwitterionic Polymer Brushes.

ACS applied materials & interfaces
Constructing antifouling surfaces is a crucial technique for optimizing the performance of devices such as water treatment membranes and medical devices in practical environments. These surfaces are achieved by modification with hydrophilic polymers....

Development of surface molecular-imprinted electrochemical sensor for palmitic acid with machine learning assistance.

Talanta
Palmitic acid (PA) is a kind of saturated high fatty acid, which is involved in physiological safety and food quality. A surface molecularly imprinted polymer (MIP) electrochemical sensor was prepared on MXene surface using dopamine (DA) as functiona...

Pixelated High- Metasurfaces for in Situ Biospectroscopy and Artificial Intelligence-Enabled Classification of Lipid Membrane Photoswitching Dynamics.

ACS nano
Nanophotonic devices excel at confining light into intense hot spots of electromagnetic near fields, creating exceptional opportunities for light-matter coupling and surface-enhanced sensing. Recently, all-dielectric metasurfaces with ultrasharp reso...