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Hydrolysis

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HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions.

Journal of chemical information and modeling
Hydrolysis is a fundamental family of chemical reactions where water facilitates the cleavage of bonds. The process is ubiquitous in biological and chemical systems, owing to water's remarkable versatility as a solvent. However, accurately predicting...

Promoting lignocellulosic biorefinery by machine learning: progress, perspectives and challenges.

Bioresource technology
The lignocellulosic biorefinery involves pretreatment, enzymatic hydrolysis, mixed sugar fermentation, and optional anaerobic digestion. This pipeline could be effectively implemented through machine learning (ML)-guided process optimization and stra...

Targeted conversion of cellulose and hemicellulose macromolecules in the phosphoric acid/acetone/water system: An exploration of machine learning evaluation and product prediction.

International journal of biological macromolecules
The simultaneous hydrolysis of cellulose and hemicellulose involves trade-offs, making precise control of hydrolysis products crucial for sustainable development. This study employed three machine learning (ML) models-Random Forest (RF), Extreme Grad...

Extraction of polysaccharides from Camellia oleifera leaves by dual enzymes combined with deep eutectic solvents screened by ANN and COSMO-RS.

International journal of biological macromolecules
Camellia oleifera leaves were byproduct of the C. oleifera industry which was rich in polysaccharides. Deep eutectic solvent-dual enzyme system (DES-dEAE) was established to achieve the simultaneous hydrolysis reaction of dual enzymes and DES extract...

Representative training data sets are critical for accurate machine-learning classification of microscopy images of particles formed by lipase-catalyzed polysorbate hydrolysis.

Journal of pharmaceutical sciences
Polysorbate 20 (PS20) is commonly used as an excipient in therapeutic protein formulations. However, over the course of a therapeutic protein product's shelf life, minute amounts of co-purified host-cell lipases may cause slow hydrolysis of PS20, rel...

How peptide migration and fraction bioactivity are modulated by applied electrical current conditions during electromembrane process separation: A comprehensive machine learning-based peptidomic approach.

Food research international (Ottawa, Ont.)
Industrial wastewaters are significant global concerns due to their environmental impact. Yet, protein-rich wastewaters can be valorized by enzymatic hydrolysis to release bioactive peptides. However, achieving selective molecular differentiation and...

Thermodynamics and explainable machine learning assist in interpreting biodegradability of dissolved organic matter in sludge anaerobic digestion with thermal hydrolysis.

Bioresource technology
Dissolved organic matter (DOM) is essential in biological treatment, yet its specific roles remain incompletely understood. This study introduces a machine learning (ML) framework to interpret DOM biodegradability in the anaerobic digestion (AD) of s...

Recent Advances and Challenges in Enzymatic Depolymerization and Recycling of PET Wastes.

Chembiochem : a European journal of chemical biology
Poly (ethylene terephthalate) (PET) is one of the most commonly used plastics in daily life and various industries. Enzymatic depolymerization and recycling of post-consumer PET (pc-PET) provides a promising strategy for the sustainable circular econ...

Enzymatic extraction and functional properties of phosphatidylcholine from chicken liver.

Poultry science
An environmentally sustainable method to extract phosphatidylcholine (PC) from chicken liver (PCCL) and its functional properties were studied. The extraction times, enzymatic hydrolysis time, the solid-liquid ratio as well as types of enzymes (prota...

Assessing and utilizing esterase specificity in antimicrobial prodrug development.

Methods in enzymology
As a class of enzymes, esterases have been investigated for decades and have found use in industrial processes, synthetic organic chemistry, and elsewhere. Esters are functional groups composed of an alcohol moiety and a carboxylic acid moiety. Altho...