Summary of Study ST002267
This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001449. The data can be accessed directly via it's Project DOI: 10.21228/M8F13D This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.
| Study ID | ST002267 |
| Study Title | Evaluation of the effects of chitosan films as a replacement for conventional sulphur dioxide treatment of white wines |
| Study Type | 1H-NMR metabolomics |
| Study Summary | In this study, 1H-NMR metabolomics was used to evaluate the effects of using chitosan-genipin (Ch-Ge) films as replacement of sulfur dioxide (SO2) in white wines preservation, to circumvent adverse health consequences caused by SO2 intake, on the final compositional profile of white wines. To do so, differently sized Ch-Ge films (25 and 100 cm2) were tested, as well as SO2-tretment and untreated wines. The obtained data added important knowledge on the potential use of Ch-Ge films, particularly those of higher surface areas, as replacements for the use of SO2 in wine conservation, based on the changes noted in metabolite composition and their putative explanations in terms of wine chemical and biochemical characteristics. |
| Institute | University of Aveiro |
| Department | CICECO – Aveiro Institute of Materials, Department of Chemistry |
| Laboratory | Metabolomics group |
| Last Name | Rodrigues |
| First Name | Joao E. |
| Address | Departamento de Química, Universidade de Aveiro, Campus de Santiago |
| joao.e.a.rodrigues@gmail.com | |
| Phone | 00351963481841 |
| Submit Date | 2022-08-24 |
| Num Groups | 4 |
| Total Subjects | 14 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | fid |
| Analysis Type Detail | NMR |
| Release Date | 2023-03-15 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
| Project ID: | PR001449 |
| Project DOI: | doi: 10.21228/M8F13D |
| Project Title: | Evaluation of the effects of chitosan films as a replacement for conventional sulphur dioxide treatment of white wines |
| Project Type: | 1H-NMR metabolomics |
| Project Summary: | In this study, 1H-NMR metabolomics was used to evaluate the effects of using chitosan-genipin (Ch-Ge) films as replacement of sulfur dioxide (SO2) in white wines preservation, to circumvent adverse health consequences caused by SO2 intake, on the final compositional profile of white wines. To do so, differently sized Ch-Ge films (25 and 100 cm2) were tested, as well as SO2-tretment and untreated wines. The obtained data added important knowledge on the potential use of Ch-Ge films, particularly those of higher surface areas, as replacements for the use of SO2 in wine conservation, based on the changes noted in metabolite composition and their putative explanations in terms of wine chemical and biochemical characteristics. |
| Institute: | University of Aveiro |
| Department: | CICECO – Aveiro Institute of Materials, Department of Chemistry |
| Laboratory: | Metabolomics group |
| Last Name: | Gil |
| First Name: | Ana M. |
| Address: | Campus Universitário de Santiago, Aveiro, Aveiro, 3810-193, Portugal |
| Email: | agil@ua.pt |
| Phone: | 00351234370707 |
| Funding Source: | The authors acknowledge the CICECO-Aveiro Institute of Materials project, UIDB/50011/2020, UIDP/50011/2020 & LA/P/0006/2020, and LAQV-REQUIMTE (UIDB/50006/2020), financed by national funds through the FCT/MEC (PIDDAC), and the financial support of Projects QREN – SI I&DT Co-Promoção WineSulFree (No. 3462) and FCT – WineSulFree (PTDC/AGR-ALI/101251/2008). We also acknowledge the Portuguese National NMR Network (PTNMR), supported by FCT funds as the NMR spectrometer used is part of PTNMR and partially supported by Infrastructure Project Nº 022161 (co-financed by FEDER through COMPETE 2020, POCI and PORL, and the FCT through PIDDAC). This work was also funded by national funds (OE), through FCT - Fundação para a Ciência e a Tecnologia, I.P., in the scope of the framework contract foreseen in the numbers 4, 5 and 6 of the article 23, of the Decree-Law 57/2016, of August 29, changed by Law 57/2017, of July 19. |
Subject:
| Subject ID: | SU002353 |
| Subject Type: | Food item |
Factors:
Subject type: Food item; Subject species: - (Factor headings shown in green)
| mb_sample_id | local_sample_id | Group |
|---|---|---|
| SA217532 | Chitosan-films_100cm2_05 | Chitosan-films_100cm2 |
| SA217533 | Chitosan-films_100cm2_04 | Chitosan-films_100cm2 |
| SA217534 | Chitosan-films_100cm2_03 | Chitosan-films_100cm2 |
| SA217535 | Chitosan-films_100cm2_02 | Chitosan-films_100cm2 |
| SA217536 | Chitosan-films_100cm2_01 | Chitosan-films_100cm2 |
| SA217537 | Chitosan-films_25cm2_03 | Chitosan-films_25cm2 |
| SA217538 | Chitosan-films_25cm2_02 | Chitosan-films_25cm2 |
| SA217539 | Chitosan-films_25cm2_01 | Chitosan-films_25cm2 |
| SA217540 | SO2-treated_04 | SO2-treated |
| SA217541 | SO2-treated_03 | SO2-treated |
| SA217542 | SO2-treated_02 | SO2-treated |
| SA217543 | SO2-treated_01 | SO2-treated |
| SA217544 | Untreated_01 | untreated |
| SA217545 | Untreated_02 | untreated |
| Showing results 1 to 14 of 14 |
Collection:
| Collection ID: | CO002346 |
| Collection Summary: | After alcoholic fermentation, the wine was bottled in glass bottles (750 mL) under four different conditions: i) without preservation treatment (2 bottles); ii) addition of 40 mg/L of free SO2 (4 bottles); addition of iii) a Ch-Ge film with 100 cm2 surface area (5 bottles) and iv) a Ch-Ge film with 25 cm2 surface area (3 bottles). All wine samples were stored in the absence of light at 10-15 ºC, for 12 months. After opening the bottles, the wine samples were immediately prepared for NMR analysis. |
| Sample Type: | Wine |
Treatment:
| Treatment ID: | TR002365 |
| Treatment Summary: | Not applicable |
Sample Preparation:
| Sampleprep ID: | SP002359 |
| Sampleprep Summary: | 100 µL of 1 M potassium phosphate (KH2PO4), with 0.1% sodium salt of 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid (TSP-d4, chemical shift reference) in D2O were added to 900 µL of wine. The wine samples pH (originally ca. pH 3.5) was adjusted to 3.0 ± 0.03 by adding 5% (v/v) HCl in D2O, and 600 µL of the mixture were transferred into 5 mm NMR tubes. |
| Processing Method: | None |
| Sample Resuspension: | None |
| Sample Spiking: | 0.1% sodium salt of 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid (TSP-d4), as a chemical shift reference |
Analysis:
| Analysis ID: | AN003704 |
| Laboratory Name: | Metabolomics group |
| Analysis Type: | NMR |
| Operator Name: | Joao A. Rodrigues |
NMR:
| NMR ID: | NM000247 |
| Analysis ID: | AN003704 |
| Instrument Name: | Bruker AVANCE III 500 spectrometer |
| Instrument Type: | FT-NMR |
| NMR Experiment Type: | 1D-1H |
| Spectrometer Frequency: | 500 MHz |
| NMR Probe: | TXI probe |
| NMR Solvent: | 90% H2O/ 10% D2O |
| NMR Tube Size: | 5 mm NMR tubes |
| Shimming Method: | Topshim |
| Pulse Sequence: | noesypr1d |
| Water Suppression: | presat |
| Pulse Width: | 90-degree |
| Temperature: | 300 K |
| Number Of Scans: | 128 |
| Dummy Scans: | 16 |
| Acquisition Time: | 3.3 s |
| Relaxation Delay: | 2 s |
| Num Data Points Acquired: | 32 k |
| Line Broadening: | 0.3 Hz |
| Zero Filling: | 64 k |
| Baseline Correction Method: | manual |
| Chemical Shift Ref Std: | 0 ppm for TSP-d4 |
| NMR Results File: | 4_Wine_processed_data.txt UNITS:ppm |
