Advances in wine analysis by PTR-ToF-MS: Optimization of the method and discrimination of wines from different geographical origins and fermented with different malolactic starters

Campbell-Sills, Hugo; Capozzi, Vittorio; Romano, Andrea; Cappellin, Luca; Spano, Giuseppe; Breniaux, Marion; Lucas, Patrick; Biasioli, Franco

doi:10.1016/j.ijms.2016.02.001

Cited by 41 publications

(31 citation statements)

References 37 publications

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“…and Pediococcus spp., which have been shown to modify and possibly synthesise volatile compounds with fruity aromas during MLF (Sumby et al ). Aroma compounds that can increase or decrease during MLF include esters (Pozo‐Bayón et al , Sumby et al , Campbell‐Sills et al ), aldehydes (Osborne et al ), released glycosylated compounds (including 2‐phenylethanol, terpenols and C13‐norisoprenoids) (Boido et al ) and 2,3‐butanedione (diacetyl) (Nielsen and Richelieu , Campbell‐Sills et al ). Strains of LAB therefore have potential to impact the volatile composition of wine.…”

Section: Introductionmentioning

confidence: 99%

Ethanol‐tolerant lactic acid bacteria strains as a basis for efficient malolactic fermentation in wine: evaluation of experimentally evolved lactic acid bacteria and winery isolates

Sumby

Niimi

Betteridge

et al. 2019

Australian Journal of Grape and Wine Research

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Background and Aims Reliable malolactic fermentation (MLF) is essential for process efficiency and spoilage prevention in wine. This study extends previous research in our laboratory, aimed at the development and selection of new bacterial strains for reliable MLF in wine, focusing on ethanol‐tolerant lactic acid bacteria (LAB) strains. Sensory differences of seven LAB strains were assessed, including two commercial strains, two ethanol‐tolerant strains derived from directed evolution and three isolates from a high ethanol Grenache. Methods and Results In this study, the performance of 30 LAB strains was first assessed in fermented chemically defined grape juice media. Seven of the best performing strains were then tested in small‐scale (5 L) fermentations in Shiraz and Shiraz‐Grenache blend wines. All wines were evaluated with a sensory panel using free choice profiling. Conclusions Despite significantly different MLF kinetics between the strains there were no strain‐specific differences on the final wines. The choice of LAB strain did not adversely change the sensory properties of either wine. Significance of the Study These findings provide reassurance that the efficient LAB strains (G71 and G55) and the modified directed evolution strains do not compromise the sensory properties of wines despite their marked MLF benefits.

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Section: Introductionmentioning

confidence: 99%

Ethanol‐tolerant lactic acid bacteria strains as a basis for efficient malolactic fermentation in wine: evaluation of experimentally evolved lactic acid bacteria and winery isolates

Sumby

Niimi

Betteridge

et al. 2019

Australian Journal of Grape and Wine Research

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“…While simplifying the mass spectra by limiting ligand switching reactions with ethanol‐related ions, using a 40‐fold sample dilution, the method resulted in a significant lowered sensitivity that could be a clear drawback for most of the potential applications. A second approach introduced recently consisted in admitting a neutral gas such as argon in the PTR‐MS drift‐tube in order to reduce fragmentation and formation of ethanol clusters . Although the use of argon as carrier gas was effective in maintaining optimal H 3 O + ionization conditions when wine samples or ethanol‐producing media were investigated, dilution of the samples headspace occurred.…”

Section: Introductionmentioning

confidence: 99%

“…A second approach introduced recently consisted in admitting a neutral gas such as argon in the PTR‐MS drift‐tube in order to reduce fragmentation and formation of ethanol clusters . Although the use of argon as carrier gas was effective in maintaining optimal H 3 O + ionization conditions when wine samples or ethanol‐producing media were investigated, dilution of the samples headspace occurred. If the method was alleged to be superior to the previous ones, reduction of ethanol effects was obtained still with a certain loss of sensitivity, and the presence of argon in the drift‐tube could even decrease the sensitivity of certain product ions at an extent up to 5 to 10‐fold .…”

Section: Introductionmentioning

confidence: 99%

“…Although the use of argon as carrier gas was effective in maintaining optimal H 3 O + ionization conditions when wine samples or ethanol‐producing media were investigated, dilution of the samples headspace occurred. If the method was alleged to be superior to the previous ones, reduction of ethanol effects was obtained still with a certain loss of sensitivity, and the presence of argon in the drift‐tube could even decrease the sensitivity of certain product ions at an extent up to 5 to 10‐fold . Moreover, selective sensitivity detrimental to less polar compounds was observed, confirming previous observations made using an H 2 O‐rare gas discharge‐based ion source at low drift‐tube field strengths …”

Section: Introductionmentioning

confidence: 99%

“…If the method was alleged to be superior to the previous ones, reduction of ethanol effects was obtained still with a certain loss of sensitivity, and the presence of argon in the drift-tube could even decrease the sensitivity of certain product ions at an extent up to 5 to 10-fold. 11 Moreover, selective sensitivity detrimental to less polar compounds was observed, 11 confirming previous observations made using an H 2 O-rare gas discharge-based ion source at low drift-tube field strengths. 15 Non-conventional operating conditions using very large electric field strength to number density ratio E/N values in the drift-tube (where E is the electric field in the drift-tube and N is the gas number density) were also proposed recently.…”

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Modified proton transfer reaction mass spectrometry (PTR‐MS) operating conditions for in vitro and in vivo analysis of wine aroma

et al. 2017

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With proton transfer reaction-mass spectrometry standard operating conditions, analysis of alcoholic beverages is an analytical challenge. Ethanol reacts with the primary ion H 3 O + leading to its depletion and to formation of ethanol-related ions and clusters, resulting in unstable ionization and in significant fragmentation of analytes. Different methods were proposed but generally resulted in lowering the sensitivity and/or complicating the mass spectra. The aim of the present study was to propose a simple, sensitive, and reliable method with fragmentation as low as possible, linearity within a realistic range of volatile organic compounds concentrations, and applicability to in vivo dynamic aroma release (nosespace) studies of wines.For in vitro analyses, a reference flask containing a hydro-alcoholic solution (10% ethanol) was permanently connected to the PTR-MS inlet in order to establish ethanol chemical ionization conditions. A low electric field strength to number density ratio E/N (80 Td) was used in the drifttube. A stable reagent ion distribution was obtained with the primary protonated ethanol ion C 2 H 5 OH 2 + accounting for more than 80% of the ionized species. The ethanol dimer (C 2 H 5 OH) 2 H + accounted for only 10%. Fragmentation of some aroma molecules important for white wine flavor (various esters, linalool, cis-rose oxide, 2-methylpropan-1-ol, 3-methylbutan-1-ol, and 2-phenylethanol) was studied from same ethanol content solutions connected alternatively with the reference solution to the instrument inlet. Linear dynamic range and limit of detection (LOD) were determined for ethyl hexanoate. Fragmentation of the protonated analytes was limited to a few ions of low intensity, or to specific fragment ions with no further fragmentation. Association and/or ligand switching reactions from ethanol clusters were only significant for the primary alcohols. Interpretation of the mass spectra was straightforward with easy detec- To overcome this problem, the protonated ethanol ion and its dimer have been used as reagent ions in the characterization of wine using direct headspace analysis and mass spectral fingerprints. 9 To achieve operational conditions with stable reagent ions signal and distribution, a flow of ethanol-saturated nitrogen was continuously added to the wine headspace and admitted into the ethanol/nitrogen main stream directed towards the drift-tube of a PTR-MS. Stable reagent ions signals were obtained and were not affected by changes in ethanol content of the wine samples. However, the procedure resulted in a 10-fold dilution of the wine headspace into the ethanol-saturated nitrogen main flow, affecting significantly the sensitivity of the method, which can be detrimental for the detection of low-concentration compounds potentially of oenological importance. were investigated, dilution of the samples headspace occurred. If the method was alleged to be superior to the previous ones, reduction of ethanol effects was obtained still with a certain loss of sensitivity, and t...

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Ab initio calculation of the proton transfer reaction rate coefficients to volatile organic compounds related to cork taint in wine

et al. 2020

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We compute the proton transfer rates to a range of volatile organic compounds (VOCs) related to cork taint in wine. These rates are useful to support quantification in proton-transfer-reaction mass spectrometry (PTR-MS) and in selected-ion flow-tube mass spectrometry (SIFT-MS). We apply the average dipole orientation theory and the parameterized trajectory method to evaluate the rate coefficients for proton transfer occurring in ion-molecule collision, from both H 3 O + and NH + 4 to the VOCs. The main input ingredients for these methods are the electric dipole moment and polarizability of the VOC molecules, which we evaluate by means of quantum chemical calculations based on density functional theory. We provide new data for proton transfer rate coefficients of compounds responsible for cork taint and off-flavor in wine such as chloroanisoles, bromoanisoles, methylisoborneol, guaiacol, and terpenes.

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Advances in wine analysis by PTR-ToF-MS: Optimization of the method and discrimination of wines from different geographical origins and fermented with different malolactic starters

Cited by 41 publications

References 37 publications

Ethanol‐tolerant lactic acid bacteria strains as a basis for efficient malolactic fermentation in wine: evaluation of experimentally evolved lactic acid bacteria and winery isolates

Ethanol‐tolerant lactic acid bacteria strains as a basis for efficient malolactic fermentation in wine: evaluation of experimentally evolved lactic acid bacteria and winery isolates

Modified proton transfer reaction mass spectrometry (PTR‐MS) operating conditions for in vitro and in vivo analysis of wine aroma

Ab initio calculation of the proton transfer reaction rate coefficients to volatile organic compounds related to cork taint in wine

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