Identification of ethyl vanillin in strawberry (Fragaria × ananassa) using a targeted metabolomics strategy: From artificial to natural.

Improving flavor can be an important goal of strawberry through breeding that is enhanced through the accurate identification and quantification of flavor compounds. Herein, a targeted metabolomics strategy was developed using liquid-liquid extraction, an in-house standard database, and GC-MS/MS analysis. The database consisted of key food odorants (KFOs), artificial flavor compounds (AFCs) and volatiles.

Interactions between kafirin and pickle-like odorants in soy sauce flavor Baijiu: Aroma profile change and binding mechanism.

The pickle-like odor, which was caused by the excess volatile sulfur compounds (VSCs), is an undesirable odor in soy sauce flavor Baijiu (SSB). The aim of this study was to explore the suppressing effect of kafirin, the internal prolamin of the raw material of Baijiu, on the pickle-like odor of SSB. The instrumental analysis (comprehensive two-dimensional gas chromatography, ultraviolet and visible spectrophotometry), human perceptions (aroma profile, odor thresholds) and in silico analysis methods (molecular docking) were combined to detect the changes of the pickle-like odor.

Reconstitution of the Flavor Signature of -Type Baijiu Based on the Natural Concentrations of Its Odor-Active Compounds and Nonvolatile Organic Acids.

Nonvolatile organic acids (NVOAs) associated with the flavor type of Baijiu were analyzed by a derivatization method, and 37 NVOAs were quantified. In addition, 33 odorants were judged to have high flavor dilution factors by application of aroma extract dilution analysis and quantification by gas chromatography coupled with mass spectrometry (GC-MS) and GC combined with quadrupole time-of-flight MS. The quantitative data obtained for the odorants and NVOAs were used to recombine the overall flavor of Baijiu.

A flavoromics strategy for the differentiation of different types of Baijiu according to the non-volatile organic acids.

Non-volatile organic acids (NVOAs) in 12 main flavor types of Baijiu were analyzed by a derivatization method combined with GC-MS and 38 NVOAs were quantified. Meanwhile, a flavoromics strategy based on the contents of NVOAs in the 12 flavor types of Baijiu was successfully used to the differentiation of Baijiu. PLS-DA models (explained variation, predictive capability) were used to consider different categories: fermentation process (0.

Interaction mechanism of kafirin with ferulic acid and tetramethyl pyrazine: Multiple spectroscopic and molecular modeling studies.

Ferulic acid (FA) and tetramethyl pyrazine (TMP) are intrinsic bioactive compounds in baijiu, and kafirin is the major protein of sorghum, which is the raw material of baijiu. In this study, the interactions of kafirin-FA and kafirin-TMP were investigated by multiple spectroscopic and molecular modeling techniques. Fluorescence spectra showed that intrinsic fluorescence of kafirin drastically quenched because of the formations of kafirin-FA and kafirin-TMP complexes.

Analysis, occurrence, and potential sensory significance of tropical fruit aroma thiols, 3-mercaptohexanol and 4-methyl-4-mercapto-2-pentanone, in Chinese Baijiu.

Fruity notes are important to the flavor of Baijiu (Chinese Liquor) and are considered to originate from ester compounds; however, little is known about the other chemicals that contribute to the fruity aroma. In this study, the sensory impacts of two tropical fruit aroma thiols, 3-mercaptohexanol (3MH) and 4-methyl-4-mercapto-2-pentanone (4MP), in Chinese Light-, Strong- and Soy sauce flavor type Baijiu were systemically subjected to a sensory evaluation, qualitative and quantitative analysis, and multivariate statistical analyses. The flavor dilution factors of 3MH and 4MP were 9-729.

Insights into the Role of 2-Methyl-3-furanthiol and 2-Furfurylthiol as Markers for the Differentiation of Chinese Light, Strong, and Soy Sauce Aroma Types of Baijiu.

The sensory impacts of two thiols, 2-methyl-3-furanthiol (MFT) and 2-furfurylthiol (FFT), in Chinese soy sauce aroma-type Baijiu (SSB), strong aroma-type Baijiu (STB), and light aroma-type Baijiu (LTB) (liquor) were evaluated and combined with partial least squares discriminant analysis (PLS-DA) to differentiate Chinese Baijiu. The flavor dilution factors of these two thiols ranged from 81 to 6561, and quantitative results showed that MFT and FFT were significantly more abundant ( < 0.001) in SSB than in STB and LTB.

Evolution of the key odorants and aroma profiles in traditional Laowuzeng baijiu during its one-year ageing.

Changes of key odorants and aroma profiles of Chinese Laowuzeng baijiu during its one-year ageing were determined by HS-SPME-AEDA and direct injection-AEDA (DI-AEDA). Ethyl hexanoate, (E,E)-2,4-decadienal, and 2-phenylethyl acetate showed the highest FD value (486) in all ageing stages. With regards to aroma profiles, fruity, floral, acidic, sweet/honey and cheesy aromas were enhanced during storage, while pickled vegetable, grain and alcoholic notes weakened during the ageing.

DeID - a data sharing tool for neuroimaging studies.

Funding institutions and researchers increasingly expect that data will be shared to increase scientific integrity and provide other scientists with the opportunity to use the data with novel methods that may advance understanding in a particular field of study. In practice, sharing human subject data can be complicated because data must be de-identified prior to sharing. Moreover, integrating varied data types collected in a study can be challenging and time consuming.

Measure the Semantic Similarity of GO Terms Using Aggregate Information Content.

The rapid development of gene ontology (GO) and huge amount of biomedical data annotated by GO terms necessitate computation of semantic similarity of GO terms and, in turn, measurement of functional similarity of genes based on their annotations. In this paper we propose a novel and efficient method to measure the semantic similarity of GO terms. The proposed method addresses the limitations in existing GO term similarity measurement techniques; it computes the semantic content of a GO term by considering the information content of all of its ancestor terms in the graph.