AIMC Topic: Kinetics

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Massively parallel genetic perturbation suggests the energetic structure of an amyloid-β transition state.

Science advances Jun 11, 2025
Amyloid aggregates are pathological hallmarks of many human diseases, but how soluble proteins nucleate to form amyloids is poorly understood. Here, we use combinatorial mutagenesis, a kinetic selection assay, and machine learning to massively pertur...
Machine Learning Amyloid beta-Peptides Peptide Fragments Humans Alzheimer Disease Protein Aggregates Thermodynamics Mutation Kinetics
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Unveiling Hidden Health Risks: Machine Learning Enhanced Modeling of Plastic Additive Release Kinetics in Fresh Produce Packaging.

Environmental science & technology Jun 10, 2025
Fresh produce packaging (FPP) plays a critical role in protecting fruits and vegetables from various environmental factors. However, the presence, migration, and human health risks of additives in FPP have received limited attention. This study inves...
Plasticizers Fruit Vegetables Humans Machine Learning Plastics Kinetics Food Packaging
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Comparison of lower limb kinematic and kinetic estimation during athlete jumping between markerless and marker-based motion capture systems.

Scientific reports May 27, 2025
Markerless motion capture (ML) systems, which utilize deep learning algorithms, have significantly expanded the applications of biomechanical analysis. Jump tests are now essential tools for athlete monitoring and injury prevention. However, the vali...
Hip Joint Ankle Joint Movement Kinetics Athletes Motion Capture Young Adult Biomechanical Phenomena Lower Extremity Knee Joint Male Humans
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Artificial intelligence driven platform for rapid catalytic performance assessment of nanozymes.

Scientific reports Apr 17, 2025
Traditional methods for synthesizing nanozymes are often time-consuming and complex, hindering efficiency. Artificial intelligence (AI) has the potential to simplify these processes, but there are very few dedicated nanozyme databases available, limi...
Artificial Intelligence Databases, Factual Nanostructures Catalysis Enzymes Kinetics
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Pyrolysis mechanism study on xylose by combining experiments, chemical reaction neural networks and density functional theory.

Bioresource technology Apr 11, 2025
Chemical reaction neural networks (CRNN) and density functional theory (DFT) are gaining attention in biomass pyrolysis mechanism research. Reaction pathways are often speculated based on a single method, influenced by expert knowledge. To address th...
Thermogravimetry Xylose Polysaccharides Pyrolysis Biomass Models, Chemical Density Functional Theory Kinetics Spectroscopy, Fourier Transform Infrared Neural Networks, Computer
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Accelerating mechanistic model calibration in protein chromatography using artificial neural networks.

Journal of chromatography. A Apr 11, 2025
In the manufacturing of therapeutic monoclonal antibodies (mAbs), mechanistic models can aid the evaluation and selection of suitable chromatography operating conditions during process development. However, model calibration remains a common bottlene...
Kinetics Calibration Chromatography, Ion Exchange Neural Networks, Computer Antibodies, Monoclonal
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Role of electrostatics in cold adaptation: A comparative study of eury- and stenopsychrophilic triose phosphate isomerase.

Biochimica et biophysica acta. Proteins and proteomics Apr 11, 2025
Psychrophilic (cold-active) organisms have developed enzymes that facilitate sufficient metabolic activity at low temperatures to sustain life. This occurs through molecular adaptations that tend to increase protein flexibility at the expense of stab...
Bacterial Proteins Kinetics Triose-Phosphate Isomerase Static Electricity Adaptation, Physiological Enzyme Stability Cold Temperature
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Robust enzyme discovery and engineering with deep learning using CataPro.

Nature communications Mar 20, 2025
Accurate prediction of enzyme kinetic parameters is crucial for enzyme exploration and modification. Existing models face the problem of either low accuracy or poor generalization ability due to overfitting. In this work, we first developed unbiased ...
Deep Learning Kinetics Protein Engineering Enzymes
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Machine learning-based biological process optimization for low molecular weight welan gum production.

International journal of biological macromolecules Mar 16, 2025
This study focuses on optimizing the fermentation process for the production of low molecular weight welan gum (LMW-WG) using Sphingomonas sp. ATCC 31555 with glycerol as the sole carbon source. A series of single-factor experiments were conducted to...
Sphingomonas Machine Learning Polysaccharides, Bacterial Carbon Glycerol Neural Networks, Computer Fermentation Kinetics Molecular Weight
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Validity of recurrent neural networks to predict pedal forces and lower limb kinetics in cycling.

Journal of biomechanics Mar 8, 2025
Dynamic variables contribute to understand the mechanics of pedalling and can assist with injury prevention. Measuring pedal forces and joint moments and powers has a high cost, which can be mitigated by using trained artificial neural networks (ANN)...
Humans Recurrent Neural Networks Kinetics Neural Networks, Computer Biomechanical Phenomena Bicycling Male Young Adult Lower Extremity Adult
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