Anders Dalhoff Bruhn, Urban Wünsch, Christopher L. Osburn, Jacob C. Rudolph, Colin A. Stedmon
{"title":"基于机器学习辅助分解液相色谱吸收光谱数据的木质素苯酚定量","authors":"Anders Dalhoff Bruhn, Urban Wünsch, Christopher L. Osburn, Jacob C. Rudolph, Colin A. Stedmon","doi":"10.1002/lom3.10561","DOIUrl":null,"url":null,"abstract":"<p>Analysis of lignin in seawater is essential to understanding the fate of terrestrial dissolved organic matter (DOM) in the ocean and its role in the carbon cycle. Lignin is typically quantified by gas or liquid chromatography, coupled with mass spectrometry (GC-MS or LC-MS). MS instrumentation can be relatively expensive to purchase and maintain. Here we present an improved approach for quantification of lignin phenols using LC and absorbance detection. The approach applies a modified version of parallel factor analysis (PARAFAC2) to 2<sup>nd</sup> derivative absorbance chromatograms. It is capable of isolating individual elution profiles of analytes despite co-elution and overall improves sensitivity and specificity, compared to manual integration methods. For most lignin phenols, detection limits below 5 nmol L<sup>−1</sup> were achieved, which is comparable to MS detection. The reproducibility across all laboratory stages for our reference material showed a relative standard deviation between 1.47% and 16.84% for all 11 lignin phenols. Changing the amount of DOM in the reaction vessel for the oxidation (dissolved organic carbon between 22 and 367 mmol L<sup>−1</sup>), did not significantly affect the final lignin phenol composition. The new method was applied to seawater samples from the Kattegat and Davis Strait. The total concentration of dissolved lignin phenols measured in the two areas was between 4.3–10.1 and 2.1–3.2 nmol L<sup>−1</sup>, respectively, which is within the range found by other studies. Comparison with a different oxidation approach and detection method (GC-MS) gave similar results and underline the potential of LC and absorbance detection for analysis of dissolved lignin with our proposed method.</p>","PeriodicalId":18145,"journal":{"name":"Limnology and Oceanography: Methods","volume":"21 8","pages":"508-528"},"PeriodicalIF":2.1000,"publicationDate":"2023-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/lom3.10561","citationCount":"0","resultStr":"{\"title\":\"Lignin phenol quantification from machine learning-assisted decomposition of liquid chromatography-absorbance spectroscopy data\",\"authors\":\"Anders Dalhoff Bruhn, Urban Wünsch, Christopher L. Osburn, Jacob C. Rudolph, Colin A. 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The reproducibility across all laboratory stages for our reference material showed a relative standard deviation between 1.47% and 16.84% for all 11 lignin phenols. Changing the amount of DOM in the reaction vessel for the oxidation (dissolved organic carbon between 22 and 367 mmol L<sup>−1</sup>), did not significantly affect the final lignin phenol composition. The new method was applied to seawater samples from the Kattegat and Davis Strait. The total concentration of dissolved lignin phenols measured in the two areas was between 4.3–10.1 and 2.1–3.2 nmol L<sup>−1</sup>, respectively, which is within the range found by other studies. Comparison with a different oxidation approach and detection method (GC-MS) gave similar results and underline the potential of LC and absorbance detection for analysis of dissolved lignin with our proposed method.</p>\",\"PeriodicalId\":18145,\"journal\":{\"name\":\"Limnology and Oceanography: Methods\",\"volume\":\"21 8\",\"pages\":\"508-528\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2023-06-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://onlinelibrary.wiley.com/doi/epdf/10.1002/lom3.10561\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Limnology and Oceanography: Methods\",\"FirstCategoryId\":\"89\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/lom3.10561\",\"RegionNum\":3,\"RegionCategory\":\"地球科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"LIMNOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Limnology and Oceanography: Methods","FirstCategoryId":"89","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/lom3.10561","RegionNum":3,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"LIMNOLOGY","Score":null,"Total":0}
Lignin phenol quantification from machine learning-assisted decomposition of liquid chromatography-absorbance spectroscopy data
Analysis of lignin in seawater is essential to understanding the fate of terrestrial dissolved organic matter (DOM) in the ocean and its role in the carbon cycle. Lignin is typically quantified by gas or liquid chromatography, coupled with mass spectrometry (GC-MS or LC-MS). MS instrumentation can be relatively expensive to purchase and maintain. Here we present an improved approach for quantification of lignin phenols using LC and absorbance detection. The approach applies a modified version of parallel factor analysis (PARAFAC2) to 2nd derivative absorbance chromatograms. It is capable of isolating individual elution profiles of analytes despite co-elution and overall improves sensitivity and specificity, compared to manual integration methods. For most lignin phenols, detection limits below 5 nmol L−1 were achieved, which is comparable to MS detection. The reproducibility across all laboratory stages for our reference material showed a relative standard deviation between 1.47% and 16.84% for all 11 lignin phenols. Changing the amount of DOM in the reaction vessel for the oxidation (dissolved organic carbon between 22 and 367 mmol L−1), did not significantly affect the final lignin phenol composition. The new method was applied to seawater samples from the Kattegat and Davis Strait. The total concentration of dissolved lignin phenols measured in the two areas was between 4.3–10.1 and 2.1–3.2 nmol L−1, respectively, which is within the range found by other studies. Comparison with a different oxidation approach and detection method (GC-MS) gave similar results and underline the potential of LC and absorbance detection for analysis of dissolved lignin with our proposed method.
期刊介绍:
Limnology and Oceanography: Methods (ISSN 1541-5856) is a companion to ASLO''s top-rated journal Limnology and Oceanography, and articles are held to the same high standards. In order to provide the most rapid publication consistent with high standards, Limnology and Oceanography: Methods appears in electronic format only, and the entire submission and review system is online. Articles are posted as soon as they are accepted and formatted for publication.
Limnology and Oceanography: Methods will consider manuscripts whose primary focus is methodological, and that deal with problems in the aquatic sciences. Manuscripts may present new measurement equipment, techniques for analyzing observations or samples, methods for understanding and interpreting information, analyses of metadata to examine the effectiveness of approaches, invited and contributed reviews and syntheses, and techniques for communicating and teaching in the aquatic sciences.