AIMC Topic: Nitriles

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Machine learning-based prediction of enzyme substrate scope: Application to bacterial nitrilases.

Proteins
Predicting the range of substrates accepted by an enzyme from its amino acid sequence is challenging. Although sequence- and structure-based annotation approaches are often accurate for predicting broad categories of substrate specificity, they gener...

Label-Free Quantification of Pharmacokinetics in Skin with Stimulated Raman Scattering Microscopy and Deep Learning.

The Journal of investigative dermatology
The treatment of inflammatory skin conditions relies on a deep understanding of how drugs and tissue behave and interact. Although numerous methods have been developed that aim to follow and quantify topical drug pharmacokinetics, these tools can com...

Data-Driven Modeling of the Bicalutamide Dissolution from Powder Systems.

AAPS PharmSciTech
Low solubility of active pharmaceutical compounds (APIs) remains an important challenge in dosage form development process. In the manuscript, empirical models were developed and analyzed in order to predict dissolution of bicalutamide (BCL) from sol...

Photoelectrochemical biosensor for protein kinase A detection based on carbon microspheres, peptide functionalized Au-ZIF-8 and TiO/g-CN.

Talanta
In this work, a novel and sensitive photoelectrochemical (PEC) strategy was designed for protein kinase A (PKA) detection, comprising carbon microsphere (CMS) modified ITO electrode, TiO as the phosphate group recognition material and graphite-carbon...

Machine Learning Algorithms for Liquid Crystal-Based Sensors.

ACS sensors
We present a machine learning (ML) framework to optimize the specificity and speed of liquid crystal (LC)-based chemical sensors. Specifically, we demonstrate that ML techniques can uncover valuable feature information from surface-driven LC orientat...

Photoelectrochemical biosensor for HEN1 RNA methyltransferase detection using peroxidase mimics PtCu NFs and poly(U) polymerase-mediated RNA extension.

Biosensors & bioelectronics
2'-O-methyl group on the 3' terminal nucleotide in plant microRNAs, as one kind of RNA methylations, is caused by HEN1 RNA methyltransferase (HENMT1), which is thought to be crucial for ribosome biogenesis and function. Herein, a simple and label-fre...

Metal-free virucidal effects induced by g-CN under visible light irradiation: Statistical analysis and parameter optimization.

Chemosphere
Waterborne viruses with a low infectious dose and a high pathogenic potential pose a serious risk for humans all over the world, calling for a cost-effective and environmentally-friendly inactivation method. Optimizing operational parameters during t...

A novel sandwich-type electrochemical immunosensor for PSA detection based on PtCu bimetallic hybrid (2D/2D) rGO/g-CN.

Biosensors & bioelectronics
In this work, a sensitive sandwich-type electrochemical immunosensor was designed for the quantitative detection of prostate-specific antigen (PSA) by amperometric i-t. The Au loaded on thionine functionalized graphene oxide (Au@Th/GO) was used as a ...

Effect of imatinib on growth of experimental endometriosis in rats.

European journal of obstetrics, gynecology, and reproductive biology
OBJECTIVE: Currently, medical and surgical treatment options for endometriosis are limited due to suboptimal efficacy, and also safety and tolerance issues. Long-term use of gonadotrophin-releasing hormone analogs, androgenes, and the danazol, which ...