AIMC Topic: Kinetics

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Evolutionary insights into the active-site structures of the metallo-β-lactamase superfamily from a classification study with support vector machine.

Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
The metallo-β-lactamase (MβL) superfamily, which is intriguing due to its enzyme promiscuity, is a good model enzyme superfamily for studies of catalytic function evolution. Our previous study traced the evolution of the phosphotriesterase activity o...

Comparison of iterative parametric and indirect deep learning-based reconstruction methods in highly undersampled DCE-MR Imaging of the breast.

Medical physics
PURPOSE: To compare the performance of iterative direct and indirect parametric reconstruction methods with indirect deep learning-based reconstruction methods in estimating tracer-kinetic parameters from highly undersampled DCE-MR Imaging breast dat...

Insights into the Kinetic Partitioning Folding Dynamics of the Human Telomeric G-Quadruplex from Molecular Simulations and Machine Learning.

Journal of chemical theory and computation
The human telomeric DNA G-quadruplex follows a kinetic partitioning folding mechanism. The underlying folding landscape potentially has many minima separated by high free-energy barriers. However, using current theoretical models to characterize this...

A robust soft sensor to monitor 1,3-propanediol fermentation process by Clostridium butyricum based on artificial neural network.

Biotechnology and bioengineering
With the aggravation of environmental pollution and energy crisis, the sustainable microbial fermentation process of converting glycerol to 1,3-propanediol (1,3-PDO) has become an attractive alternative. However, the difficulty in the online measurem...

The Fuzziness in Molecular, Supramolecular, and Systems Chemistry.

Molecules (Basel, Switzerland)
The global challenges of the XXI century require a more in-depth analysis and investigation of complex systems [...].

Biosynthetic self-healing materials for soft machines.

Nature materials
Self-healing materials are indispensable for soft actuators and robots that operate in dynamic and real-world environments, as these machines are vulnerable to mechanical damage. However, current self-healing materials have shortcomings that limit th...

Modeling of Cu(II) Adsorption from an Aqueous Solution Using an Artificial Neural Network (ANN).

Molecules (Basel, Switzerland)
This research optimized the adsorption performance of rice husk char (RHC4) for copper (Cu(II)) from an aqueous solution. Various physicochemical analyses such as Fourier transform infrared spectroscopy (FTIR), field-emission scanning electron micros...

Stability assessment of extracts obtained from Arbutus unedo L. fruits in powder and solution systems using machine-learning methodologies.

Food chemistry
Arbutus unedo L. (strawberry tree) has showed considerable content in phenolic compounds, especially flavan-3-ols (catechin, gallocatechin, among others). The interest of flavan-3-ols has increased due their bioactive actions, namely antioxidant and ...

Accelerating massively parallel hemodynamic models of coarctation of the aorta using neural networks.

Scientific reports
Comorbidities such as anemia or hypertension and physiological factors related to exertion can influence a patient's hemodynamics and increase the severity of many cardiovascular diseases. Observing and quantifying associations between these factors ...

Alloying conducting channels for reliable neuromorphic computing.

Nature nanotechnology
A memristor has been proposed as an artificial synapse for emerging neuromorphic computing applications. To train a neural network in memristor arrays, changes in weight values in the form of device conductance should be distinct and uniform. An elec...