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Amides

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Butyric acid alleviates LPS-induced intestinal mucosal barrier damage by inhibiting the RhoA/ROCK2/MLCK signaling pathway in Caco2 cells.

PloS one
Butyric acid (BA) can potentially enhance the function of the intestinal barrier. However, the mechanisms by which BA protects the intestinal mucosal barrier remain to be elucidated. Given that the Ras homolog gene family, member A (RhoA)/Rho-associa...

Rapid screening for autoimmune diseases using Fourier transform infrared spectroscopy and deep learning algorithms.

Frontiers in immunology
INTRODUCE: Ankylosing spondylitis (AS), rheumatoid arthritis (RA), and osteoarthritis (OA) are three rheumatic immune diseases with many common characteristics. If left untreated, they can lead to joint destruction and functional limitation, and in s...

Machine learning-based approach for efficient prediction of toxicity of chemical gases using feature selection.

Journal of hazardous materials
Toxic gases can be fatal as they damage many living tissues, especially the nervous and respiratory systems. They can cause permanent damage for many years by harming environmental tissue and living organisms. They can also cause mass deaths when use...

[A Dual-Aware deep learning framework for identification of glioma isocitrate dehydrogenase genotype using magnetic resonance amide proton transfer modalities].

Nan fang yi ke da xue xue bao = Journal of Southern Medical University
OBJECTIVE: To propose a Dual-Aware deep learning framework for genotyping of isocitrate dehydrogenase (IDH) in gliomas based on magnetic resonance amide proton transfer (APT) modality data as a means to assist non-invasive diagnosis of gliomas.

CEST and nuclear Overhauser enhancement imaging with deep learning-extrapolated semisolid magnetization transfer reference: Scan-rescan reproducibility and reliability studies.

Magnetic resonance in medicine
PURPOSE: To develop a novel MR physics-driven, deep-learning, extrapolated semisolid magnetization transfer reference (DeepEMR) framework to provide fast, reliable magnetization transfer contrast (MTC) and CEST signal estimations, and to determine th...

Rapid diagnosis of rheumatoid arthritis and ankylosing spondylitis based on Fourier transform infrared spectroscopy and deep learning.

Photodiagnosis and photodynamic therapy
OBJECTIVE: Rheumatoid arthritis and Ankylosing spondylitis are two common autoimmune inflammatory rheumatic diseases that negatively affect activities of daily living and can lead to structural and functional disability, reduced quality of life. Here...

Antivirals for monkeypox virus: Proposing an effective machine/deep learning framework.

PloS one
Monkeypox (MPXV) is one of the infectious viruses which caused morbidity and mortality problems in these years. Despite its danger to public health, there is no approved drug to stand and handle MPXV. On the other hand, drug repurposing is a promisin...

Artificial Intelligence-based Amide-II Infrared Spectroscopy Simulation for Monitoring Protein Hydrogen Bonding Dynamics.

Journal of the American Chemical Society
The structurally sensitive amide II infrared (IR) bands of proteins provide valuable information about the hydrogen bonding of protein secondary structures, which is crucial for understanding protein dynamics and associated functions. However, deciph...

Determination of Novel SARS-CoV-2 Inhibitors by Combination of Machine Learning and Molecular Modeling Methods.

Medicinal chemistry (Shariqah (United Arab Emirates))
INTRODUCTION: Within the scope of the project, this study aimed to find novel inhibitors by combining computational methods. In order to design inhibitors, it was aimed to produce molecules similar to the RdRp inhibitor drug Favipiravir by using the ...

Enhancing amide proton transfer imaging in ischemic stroke using a machine learning approach with partially synthetic data.

NMR in biomedicine
Amide proton transfer (APT) imaging, a technique sensitive to tissue pH, holds promise in the diagnosis of ischemic stroke. Achieving accurate and rapid APT imaging is crucial for this application. However, conventional APT quantification methods eit...