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Esters

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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...

[Determination of 15 3-chloro-1,2-propanediol fatty acid esters in vegetable oils and fritters by ultra performance convergence chromatography-tandem mass spectrometry].

Se pu = Chinese journal of chromatography
The presence of 3-chloro-1,2-propanediol fatty acid esters (3-MCPDE) in food and processed materials has recently become a topic of concern because of the toxicity of their metabolites. 3-MCPDE structurally similar to glyceride, which makes it diffic...

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
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
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...

[Determination of flavor compounds in foxtail millet wine by gas chromatography-mass spectrometry coupled with headspace solid phase microextraction].

Se pu = Chinese journal of chromatography
To comprehensively understand flavor compounds and aroma characteristics of foxtail millet wine, extraction conditions were optimized with 85 μm polyacrylate (PA), 100 μm polydimethylsiloxane (PDMS), 75 μm carboxen (CAR)/PDMS and 50/30 μm divinylbenz...

Identification of coenzyme-binding proteins with machine learning algorithms.

Computational biology and chemistry
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...

Discrimination of white wine ageing based on untarget peak picking approach with multi-class target coupled with machine learning algorithms.

Food chemistry
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...

Association between phthalate exposure and accelerated bone maturation in Chinese girls with early puberty onset: a propensity score-matched case-control analysis.

Scientific reports
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 ...

Potential impact of organophosphate esters on thyroid eye disease based on machine learning and molecular docking.

The Science of the total environment
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...

Qualitative analysis of terpenoid esters based on near-infrared spectroscopy and machine learning.

The Review of scientific instruments
This study delves into the method of qualitative analysis of terpenoid esters using near-infrared spectroscopy technology. Terpenoid esters are bioactive compounds widely used in the pharmaceutical and cosmetics industries. Near-infrared spectroscopy...