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One- and two-dimensional liquid chromatographic methods hyphenated to ion mobility spectrometry – high resolution mass spectrometry for the detailed characterisation of industrial wood tannin extracts
Thesis (MSc)--Stellenbosch University, 2023.
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| Format: | Thesis |
| Language: | en_ZA |
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Stellenbosch : Stellenbosch University
2022
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| _version_ | 1867613763086057472 |
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| access_status_str | Open Access |
| author | Crowder, James |
| author2 | De Villiers, Andre |
| author_browse | Crowder, James De Villiers, Andre |
| author_facet | De Villiers, Andre Crowder, James |
| author_sort | Crowder, James |
| collection | Thesis |
| dc_rights_str_mv | Stellenbosch University |
| description | Thesis (MSc)--Stellenbosch University, 2023. |
| format | Thesis |
| id | oai:scholar.sun.ac.za:10019.1/125142 |
| institution | Stellenbosch University (South Africa) |
| language | en_ZA |
| last_indexed | 2026-06-10T12:41:18.607Z |
| license_str | Other — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from SUNScholar — Stellenbosch University Repository |
| publishDate | 2022 |
| publishDateRange | 2022 |
| publishDateSort | 2022 |
| publisher | Stellenbosch : Stellenbosch University |
| publisherStr | Stellenbosch : Stellenbosch University |
| record_format | dspace |
| source_str | SUNScholar — Stellenbosch University Repository |
| spelling | oai:scholar.sun.ac.za:10019.1/125142 One- and two-dimensional liquid chromatographic methods hyphenated to ion mobility spectrometry – high resolution mass spectrometry for the detailed characterisation of industrial wood tannin extracts Crowder, James De Villiers, Andre Stellenbosch University. Faculty of Science. Dept. of Chemistry and Polymer Science. Chromatographic analysis Mass spectrometry Analytical chemistry UCTD Thesis (MSc)--Stellenbosch University, 2023. ENGLISH ABSTRACT: Condensed tannins or proanthocyanidins (PACs) are polyphenols that naturally occur in most plants. Condensed tannins play an important role in leather tanning, health and medicine, as well as the food industries. It is important to characterise condensed tannin extracts to gain a better understanding of the role they play in their applications. The most appropriate analytical technique for characterising condensed tannins is liquid chromatography (LC) coupled to mass spectrometric (MS) detection. However, conventional one-dimensional (1D) LC separations lack the separation performance to resolve complex mixtures of condensed tannins, and the large number of isomers complicate their characterisation by MS. In this study, 1D LC methods were developed for the analysis of an industrial sulfited Quebracho tannin extract. Reversed phase liquid chromatography (RP-LC) and hydrophilic interaction chromatography (HILIC) separation modes were coupled with diode-array detection (DAD), ion mobility spectrometry (IMS) and high resolution mass spectrometric (HR-MS) detection for the detailed analysis of the Quebracho tannin extract. Good separation was achieved by RP-LC, with excellent separation of lower oligomeric proanthocyanidin isomers. Though a poorer separation was obtained by HILIC, the size-based separation provided complementary analytical information. By incorporating IMS, the quality of MS data was improved, which was achieved by filtering the mass spectral data by IMS arrival times. IMS also improved tentative identification of PAC species, since in some cases oligomeric isomers that were not resolved chromatographically could be separated by IMS. Collisional cross section (CCS) values were determined for the PAC species to be used as an additional identification criterion. Additionally, an on-line HILIC×RP-LC separation coupled to DAD, IMS and HR-MS detection was developed for the analysis of the Quebracho tannin extract. The HILIC×RP-LC system demonstrated good group-type separations based on PAC size, although increases on-column dilution and the short second dimension ( 2D) analysis time resulted in fewer PACs being identified compared to individual HILIC and RP-LC separations. Nevertheless, on-line HILIC×RP-LC-DAD-IMS-HR-MS offers a fast, high resolution analytical method for the ‘fingerprinting’ of condensed tannin extracts. AFRIKAANSE OPSOMMING: Gekondenseerde tanniene of proanthocyanidins (PACs) is polifenole wat natuurlik gebeur in meete van die plante. Gekondenseerde tanniene speel 'n belangrike rol in leerlooiery, gesondheid en medisyne, sowel as die voedsel bedryf. Dit is belangrik om gekondenseerde tannienekstrakte te karakteriseer om 'n beter begrip te kry van die rol wat hulle in hul toedienings speel. Die mees geskikte analitiese tegniek vir die karakterisering van gekondenseerde tanniene is vloeistofchromatografie (LC) gekoppel aan massaspektrometriese (MS) opsporing. Konvensionele eendimensionele (1D) LC-skeidings het egter nie die skeidingsprestasie om komplekse mengsels van gekondenseerde tanniene op te los nie, en die groot aantal isomere bemoeilik hul karakterisering deur MS. In hierdie studie is 1D LC metodes ontwikkel vir die ontleding van 'n industriële gesulfieteerde Quebracho tannien uittreksel. Omgekeerde fase vloeistofchromatografie (RP-LC) en hidrofiliese interaksie chromatografie (HILIC) skeidingsmodusse is gekoppel aan diode-skikking opsporing (DAD), ioon mobiliteit spektrometrie (IMS) en hoë resolusie massa spektrometriese (HR-MS) opsporing vir die gedetailleerde analise van die Quebracho tannien uittreksel. Goeie skeiding is bereik deur RP-LC, met uitstekende skeiding van laer oligomere proantosianidienisomere. Alhoewel 'n swakker skeiding deur HILIC verkry is, het die groottegebaseerde skeiding aanvullende analitiese inligting verskaf. Deur IMS in te sluit, is die kwaliteit van MS data verbeter, wat bereik is deur die massaspektrale data te filter deur IMS aankomstye. IMS het ook tentatiewe identifikasie van PAC spesies verbeter, aangesien in sommige gevalle oligomere isomere wat nie chromatografies opgelos is nie deur IMS geskei kon word. Botsingsdwarssnit (CCS) waardes is bepaal vir die PAC spesies om as 'n addisionele identifikasie kriterium gebruik te word. Daarbenewens is 'n aanlyn HILIC×RP-LC skeiding gekoppel aan DAD, IMS en HRMS opsporing ontwikkel vir die ontleding van die Quebracho tannien ekstrak. Die HILIC×RP-LC stelsel het goeie groeptipe skeidings gedemonstreer gebaseer op PAC grootte, alhoewel verhoogde on-kolom verdunning en die kort tweede dimensie (2D) analise tyd daartoe gelei het dat minder PACs geïdentifiseer is in vergelyking met individuele HILIC en RP-LC skeidings. Nietemin bied aanlyn HILIC×RP-LC-DAD-IMS HR-MS 'n vinnige, hoë resolusie analitiese metode vir die 'vingerafdrukke' van gekondenseerde tannienekstrakte. Masters 2022-03-08T20:21:30Z 2022-04-29T12:55:48Z 2023-01-04T03:00:08Z 2022-04 Thesis http://hdl.handle.net/10019.1/125142 en_ZA Stellenbosch University xi, 107 pages : illustrations application/pdf Stellenbosch : Stellenbosch University |
| spellingShingle | Chromatographic analysis Mass spectrometry Analytical chemistry UCTD Crowder, James One- and two-dimensional liquid chromatographic methods hyphenated to ion mobility spectrometry – high resolution mass spectrometry for the detailed characterisation of industrial wood tannin extracts |
| title | One- and two-dimensional liquid chromatographic methods hyphenated to ion mobility spectrometry – high resolution mass spectrometry for the detailed characterisation of industrial wood tannin extracts |
| title_full | One- and two-dimensional liquid chromatographic methods hyphenated to ion mobility spectrometry – high resolution mass spectrometry for the detailed characterisation of industrial wood tannin extracts |
| title_fullStr | One- and two-dimensional liquid chromatographic methods hyphenated to ion mobility spectrometry – high resolution mass spectrometry for the detailed characterisation of industrial wood tannin extracts |
| title_full_unstemmed | One- and two-dimensional liquid chromatographic methods hyphenated to ion mobility spectrometry – high resolution mass spectrometry for the detailed characterisation of industrial wood tannin extracts |
| title_short | One- and two-dimensional liquid chromatographic methods hyphenated to ion mobility spectrometry – high resolution mass spectrometry for the detailed characterisation of industrial wood tannin extracts |
| title_sort | one and two dimensional liquid chromatographic methods hyphenated to ion mobility spectrometry high resolution mass spectrometry for the detailed characterisation of industrial wood tannin extracts |
| topic | Chromatographic analysis Mass spectrometry Analytical chemistry UCTD |
| url | http://hdl.handle.net/10019.1/125142 |
| work_keys_str_mv | AT crowderjames oneandtwodimensionalliquidchromatographicmethodshyphenatedtoionmobilityspectrometryhighresolutionmassspectrometryforthedetailedcharacterisationofindustrialwoodtanninextracts |