AIMC Topic: Esters

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Structure-activity relationship studies of 1-(1'-hydroxyalkyl)rupestonic acid methyl esters against influenza viruses.

Bioorganic & medicinal chemistry letters
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
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
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...

A new method for internal urinary metabolite exposure and dietary exposure association assessment of 3-MCPD and glycidol and their esters based on machine learning.

Ecotoxicology and environmental safety
3-Monochloropropane-1,2-diol (3-MCPD) and glycidol along with their esters are commonly found in chemical production, wastewater treatment, food processing, and exhibit toxicity. Accurate exposure assessment is essential for evaluating the environmen...

Unveiling sources of organophosphate esters in marine environments utilizing multi-factor multi-modal high-dimensional clustering algorithm.

Water research
In marine environments, the sources of organophosphate esters (OPEs), particularly emerging OPEs (eOPEs) remain primarily unclear and present significant challenges for accurate source tracing. Here, we developed an unsupervised machine learning fram...

Quantifying role of source variations on PM-bound toxic components under climate change: Measurement at multiple sites during 2018-2022 in a Chinese megacity.

Journal of hazardous materials
Understanding the response of PM-bound toxic components to source variations under climate change is crucial for public health protection. However, the lack of long-term and multi-site observational data of toxic components limits such efforts. Here,...

Aryl Organophosphate Esters and Hemostatic Disruption: Identifying Risk through Machine Learning and Experimental Validation.

Environmental science & technology
Organophosphate esters (OPEs) have emerged as a significant environmental concern due to their widespread occurrence and potential human health risks. The presence of OPEs in human blood suggests direct interactions with hematological components, whi...

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...

[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...

[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...