To measure total fatty acid profile and content, total lipids extracted from Arabidopsis seeds or N. benthamiana fresh leaves and tri 17:0-TAG in toluene were combined and esterified with methanol mixed with H2SO4 at 95°C for 90 min. After the reaction, 0.9% NaCl solution and hexane were added to extract the fatty acid methyl esters. The upper phase containing the fatty acid methyl esters was concentrated by N2 air and separated in a DB23 column (30 m × 0.25 mm, 0.25 μm film thickness; J&W Scientific, Folsom. CA, USA) using GC-2010 gas chromatography (Shimadzu, Japan). The temperature of the reaction ranged from 160°C to 220°C, increasing at a rate of 2.5°C per min. The peak area on the retention time for each fatty acid was characterized and measured by comparison with the known standard fatty acid profiles, and the concentration of each fatty acid was calculated by comparing its peak area with that of the internal standard.
Gc 2010 gas chromatography
Manufactured by Shimadzu
Sourced in Japan
The GC-2010 is a gas chromatography instrument manufactured by Shimadzu. It is designed to separate and analyze complex mixtures of volatile organic compounds. The GC-2010 utilizes a capillary column and thermal detection to provide precise and reproducible results.
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3 protocols using gc 2010 gas chromatography
1
Quantifying Arabidopsis and N. benthamiana Fatty Acids
2
Optimizing Word2vec for Spectral Prediction
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Four datasets were used to train the Word2vec model, optimize the hyperparameters of the Word2vec model, and evaluate the performance of the FastEI, respectively.
Word2vec training set. The predicted spectra of molecules in the training set (232,826) and f-ChEMBL (1,890,869) were merged into the Word2vec training set (Supplementary Fig.
Validation set. The Word2vec is a self-supervised learning method and cannot be validated and tested directly. The measured spectra of the validation set were collected from the NIST 2017 library. It consists of 11,496 measured spectra. It was used to optimize the hyperparameters of the Word2vec model according to its matched results of FastEI.
Test set. The measured spectra of the test set were collected from the NIST 2017 library. It consists of 11,499 measured spectra. It was used to evaluate the performance of FastEI.
Extra test set. The experimental spectra of the extra test set were measured on a Shimadzu GC-2010 gas chromatography coupled with a Shimadzu QP2010Ultra mass spectrometer (Shimadzu, Japan), equipped with an autosampler GL 221-34618. It consists of 10 measured spectra. It was used to evaluate the performance of FastEI for molecules beyond the NIST 2017 library. The detailed experimental condition can be seen in Supplementary Note
3
Volatile Compound Analysis in Experimental Cheeses
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Volatile compounds in experimental cheeses were analyzed manually using a solid-phase microextraction fiber in a GC-MS system (Shimadzu GC-2010 gas chromatography and QP-2010 mass spectrometry system; Shimadzu Corp., Kyoto, Japan). Separation was achieved with DB-Wax column (60 m × 0.25 mm × 0.25 mm; J&W Scientific, Folsom, CA) run in splitless mode. Flow rate of He, used as carrier gas, was 1.0 mL/min. Temperature program was performed as described in Hayaloglu et al. (2013) . For evaluation of the chromatograms, Wiley 8 (8th ed., John Wiley & Sons Inc., 2005) and NIST05 mass spectral libraries (http://www.nist.gov) were used to identify the peaks. To confirm retention indices, n-alkane (C8-C20) series were used by the same conditions. Identifications were also confirmed by comparing retention times with reference standards when available. The concentrations were calculated by the comparison of the peak areas of the internal standard containing 81 mg/L of 2-methyl-3-heptanone and 2-methyl pentanoic acid in methanol (Sigma-Aldrich Co., St. Louis, MO) and unknown compounds. Each compound was expressed as micrograms per 100 g of cheese.
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