Response Surface Optimization for Determination of Volatile Organic Compounds in Water Samples by Headspace-Gas Chromatography--Mass Spectrometry Method

Missaoui, Ines; Sayedi, Lotfi; Jamoussi, Bassem; Hassine, Béchir Ben

doi:10.1093/chromsci/47.4.257

Cited by 17 publications

(7 citation statements)

References 12 publications

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“…As demonstrated in the present study, the incubation temperature directly affects the equilibrium concentration of volatile organic compounds in the headspace [35][36][37]. In this study, the incubation temperature was varied from 40 to 70 °C (Figures 1G-I and S3).…”

Section: Effects Of Incubation Temperaturementioning

confidence: 61%

Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu)

Chen

Qian

et al. 2021

Foods

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This paper proposes the combination of headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) and chemometrics as a method to detect the age of Chinese liquor (Baijiu). Headspace conditions were optimized through single-factor optimization experiments. The optimal sample preparation involved diluting Baijiu with saturated brine to 15% alcohol by volume. The sample was equilibrated at 70 °C for 30 min, and then analyzed with 200 μL of headspace gas. A total of 39 Baijiu samples from different vintages (1998–2019) were collected directly from pottery jars and analyzed using HS-GC-IMS. Partial least squares regression (PLSR) analysis was used to establish two discriminant models based on the 212 signal peaks and the 93 identified compounds. Although both models were valid, the model based on the 93 identified compounds discriminated the ages of the samples more accurately according to the goodness of fit value (R2) and the root mean square error of prediction (RMSEP), which were 0.9986 and 0.244, respectively. Nineteen compounds with variable importance for prediction (VIP) scores > 1, including 11 esters, 4 alcohols, and 4 aldehydes, played vital roles in the model established by the 93 identified compounds. Overall, we determined that HS-GC-IMS combined with PLSR could serve as a rapid and accurate method for detecting the age of Baijiu.

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Section: Effects Of Incubation Temperaturementioning

confidence: 61%

Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu)

Chen

Qian

et al. 2021

Foods

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“…2 and 3 match the experimental values reasonably well with R-Sq of 99.38% 2 indicate that most of the variation in the response can be described by the regression equation. Also, the P-value for the two regressions of Y 1 and Y 2 obtained P = 0.000 were lower than 0.05 and means consequently that all terms in the regression equations have significant correlation with the response variables [28,29].…”

Section: Optimization Of Experimentsmentioning

confidence: 80%

Statistical optimization for determination of trace amounts of RDX in matrix of HMX using GC-ECD

2019

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1,3,5,7-Tetranitro-1,3,5,7-tetrazocane (HMX) is one of the most powerful military explosives that is produced by means of Bechmann method. Simultaneous, 1,3,5-rinitroperhydro-1,3,5-triazine (RDX) as a by-product is produced in this method that affect on the purity and sensitivity of HMX. Using a simple and fast technique is important for determination of trace amounts of RDX in the HMX matrix. The technique of gas chromatography-electron capture detector (GC-ECD) was proposed for these reasons. Because the presence of several parameters in the proposed technique, the experimental design methods of factorial and central composite were used for the experiments of screening and optimization, respectively. The parameters of oven programming, injection volume, injection temperature, carrier gas flow rate, and detector temperature were used in experiments of screening. The analysis of variance and Pareto plots showed that the injection temperature and carrier gas flow rate must be optimized among the parameters. After the screening and optimization of the studied parameters, the selected conditions were oven programming 10 °C min −1 , injection volume 1 μL, injection temperature 250 °C, carrier gas (N 2 ) flow rate 3 mL min −1 , and detector temperature 300 °C. The calibration curve and detection limit of the optimized method were 10-90 and 1.8 mg L −1 , respectively, of RDX in matrix of HMX. The relative standard deviation of the measurement was 1.89%. Finally, the RDX recovery percentages in HMX matrix in the three spiked samples were also calculated.

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“…However, increasing the pH from 3 to 11 gradually decreased volatiles’ recovery due to lower resolution attributed to poor SPME performance ( Figure 4 a). Furthermore, the addition of 1% NaCl, also increased recovery of volatiles; whereas adding a greater amount of salt (e.g., 5–35% w / v ) was found to be less effective ( Figure 4 b) due to lower protein solubility and hence lower recovery of associated organic compounds [ 21 ].…”

Section: Discussionmentioning

confidence: 99%

A Rapid Gas-Chromatography/Mass-Spectrometry Technique for Determining Odour Activity Values of Volatile Compounds in Plant Proteins: Soy, and Allergen-Free Pea and Brown Rice Protein

Singh

Shi

Magreault³

et al. 2021

Molecules

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Plant-based protein sources have a characteristic aroma that limits their usage in various meat-alternative formulations. Despite being the most popular plant-based protein, the allergenicity of soy protein severely restricts the potential adoption of soy protein as an animal substitute. Thereby, allergen-free plant-protein sources need to be characterized. Herein, we demonstrate a rapid solid-phase-microextraction gas-chromatography/mass-spectrometry (SPME-GC/MS) technique for comparing the volatile aroma profile concentration of two different allergen-free plant-protein sources (brown rice and pea) and comparing them with soy protein. The extraction procedure consisted of making a 1:7 w/v aqueous plant protein slurry, and then absorbing the volatile compounds on an SPME fibre under agitation for 10 min at 40 °C, which was subsequently injected onto a GC column coupled to an MS system. Observed volatile concentrations were used in conjunction with odour threshold values to generate a Total Volatile Aroma Score for each protein sample. A total of 76 volatile compounds were identified. Aldehydes and furans were determined to be the most dominant volatiles present in the plant proteins. Both brown rice protein and pea protein contained 64% aldehydes and 18% furans, with minor contents of alcohols, ketones and other compounds. On the other hand, soy protein consisted of fewer aldehydes (46%), but a more significant proportion of furans (42%). However, in terms of total concentration, brown rice protein contained the highest intensity and number of volatile compounds. Based on the calculated odour activity values of the detected compounds, our study concludes that pea proteins could be used as a suitable alternative to soy proteins in applications for allergen-free vegan protein products without interfering with the taste or flavour of the product.

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Response Surface Optimization for Determination of Volatile Organic Compounds in Water Samples by Headspace-Gas Chromatography--Mass Spectrometry Method

Cited by 17 publications

References 12 publications

Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu)

Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu)

Statistical optimization for determination of trace amounts of RDX in matrix of HMX using GC-ECD

A Rapid Gas-Chromatography/Mass-Spectrometry Technique for Determining Odour Activity Values of Volatile Compounds in Plant Proteins: Soy, and Allergen-Free Pea and Brown Rice Protein

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