AIMC Topic: Esters
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Potential impact of organophosphate esters on thyroid eye disease based on machine learning and molecular docking.
The Science of the total environment
Dec 3, 2024
Organophosphate esters (OPEs) are widely used as flame retardants and plasticizers in daily commodities and building materials. Some OPEs, acting as agonists of the thyroid-stimulating hormone receptor (TSHR), may contribute to the development of thy...
Association between phthalate exposure and accelerated bone maturation in Chinese girls with early puberty onset: a propensity score-matched case-control analysis.
Scientific reports
Sep 7, 2022
Estrogen can promote the acceleration of bone maturation and phthalate esters (PAEs) have estrogen-mimicking effects. We investigated whether PAEs are associated with the acceleration of bone age (BA) in girls with early onset of puberty (EOP). This ...
Assessing and utilizing esterase specificity in antimicrobial prodrug development.
Methods in enzymology
Dec 23, 2021
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...
Discrimination of white wine ageing based on untarget peak picking approach with multi-class target coupled with machine learning algorithms.
Food chemistry
Feb 16, 2021
The complexity of the chemical reactions occurring during white wine storage, such as oxidation turns the capacity of prediction and consequently the capacity to avoid it extremely difficult. This study proposes an untarget methodology based on machi...
Identification of coenzyme-binding proteins with machine learning algorithms.
Computational biology and chemistry
Jan 28, 2019
The coenzyme-binding proteins play a vital role in the cellular metabolism processes, such as fatty acid biosynthesis, enzyme and gene regulation, lipid synthesis, particular vesicular traffic, and β-oxidation donation of acyl-CoA esters. Based on th...
BPA, BADGE and analogues: A new multi-analyte LC-ESI-MS/MS method for their determination and their in vitro (anti)estrogenic and (anti)androgenic properties.
Chemosphere
Dec 28, 2018
Information on the occurrence and endocrine potencies of analogues of bisphenol A (BPA) and diglycidyl ester derivatives (BDGEs) of BPA and BPF is limited. Such information is, however, important as the current debate on BPA and the lowered BPA migra...
Simultaneous determination of 11 phthalate esters in bottled beverages by graphene oxide coated hollow fiber membrane extraction coupled with supercritical fluid chromatography.
Analytica chimica acta
Dec 28, 2017
Phthalate esters (PAEs) are a group of serious environmental pollutants, which lead to carcinogenicity or tumorigenicity in human body. In this study, a rapid, sensitive and green method by graphene oxide coated hollow fiber membrane extraction (GO-H...
Structure-activity relationship studies of 1-(1'-hydroxyalkyl)rupestonic acid methyl esters against influenza viruses.
Bioorganic & medicinal chemistry letters
Jun 6, 2016
A series of 1-(1'-hydroxyalkyl)rupestonic acid methyl esters were synthesized via the condensation of methyl rupestonate with various aldehydes in the presence of LDA. This mixed aldol reaction was highly stereoselective and all the new compounds wer...
Comparison of response surface methodology and artificial neural network approach towards efficient ultrasound-assisted biodiesel production from muskmelon oil.
Ultrasonics sonochemistry
Oct 23, 2014
The present study is to evaluate and compare the prediction and simulating efficiencies of response surface methodology (RSM) and artificial neural network (ANN) based models on fatty acid methyl esters (FAME) yield achieved from muskmelon oil (MMO) ...
Predicting the composition of aroma components in Baijiu using hyperspectral imaging combined with a replication allocation strategy-enhanced stacked ensemble learning model.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Nov 15, 2025
Ester and acid aroma compounds are crucial components affecting the fragrance of Baijiu, and their composition can endow the Baijiu with a fruity, acidic, floral, or roasted aroma. This study aims to quantitatively detect the ester and acid content i...
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