A rapid approach based on empirical formulas and graph traversal algorithms to automatic generation of fragrance formulas.

This article proposes a novel approach for improving the efficiency of fragrance designing and the accuracy of automatic fragrance formula creation based on empirical fragrance formulas and graph traversal algorithms. By effectively extracting the composition information and further analyzing the combination of fragrance materials in 210 fragrance formulas, a relational network model was constructed in the form of a graph to illustrate the relationship between the ingredients used in the formulas. Additionally, a fragrance ingredients information database of 344 common ingredients was constructed and used as a reference for perfumers when setting algorithmic constraints based on their experience.

Evaluation of Fourier deconvolution ion mobility spectrometer as high-performance gas chromatography detector for the analysis of plant extract flavors.

The Fourier deconvolution ion mobility spectrometer (FDIMS) offers multiplexing and improves the resolving power and signal-to-noise ratio. To evaluate the FDIMS as a detector for gas chromatography for the analysis of complex samples, we connected a drift tube ion mobility spectrometer to a commercial gas chromatograph and compared the performance including resolving power, sensitivity, and linear range using 2,6-di‑tert-butylpyridine. Mixed standards were also injected into the tandem system to evaluate the performance under optimized conditions.

Predicting minty compounds binary mixtures' pleasantness by odor intensity in aqueous solutions.

The aroma of mint is well-liked by the public, and key flavor odorants in mint aroma had been found, but how these molecules interact and form a satisfying odor remains a challenge. Quality, intensity, and pleasantness are our most basic perceptions of aromas; both intensity and pleasantness can be quantified. However, compared to intensity, research on pleasantness was lacking.

[Gas chromatography-mass spectrometry data analysis algorithm based on sparse model and its application in resolving severely overlapped peaks].

A Gas chromatography-mass spectrometry (GC-MS) data analysis algorithm is proposed. The mass spectrum at the top of the chromatographic peak is the spectrum to be solved. A certain amount of related reference spectra is retrieved from the spectral library, then, the equation of the chromatographic response value of each pure component is solved.

[Simultaneous determination of 23 ester compounds in cigarette water-borne adhesives by liquid-liquid extraction and gas chromatography-mass spectrometry].

A method of gas chromatography-mass spectrometry (GC-MS) with liquid-liquid extraction has been developed for the simultaneous determination of 23 ester compounds including acetate esters, acrylic esters, metacrylic acid esters and phthalate acid esters in cigarette water-borne adhesives. After dispersed in water, the sample was extracted by n-hexane solution containing phenyl ethyl propionate as internal standard substance. Then, the solution was centrifuged and filtrated through a 0.