{"title":"实现稳定同位素数据的兼容性:回顾相关概念、参考材料的最新进展和当前挑战。","authors":"Sergey Assonov","doi":"10.1080/10256016.2024.2355194","DOIUrl":null,"url":null,"abstract":"<p><p>Comparing and combining stable isotope datasets from different laboratories and different years is essential for many research areas, such as isotope hydrology, greenhouse gas observations, food studies, isotope forensics, palaeo-reconstructions, etc. Data compatibility (i.e. the ability to combine data) is related to the data quality. The prerequisite for data comparability is data normalization to a common stable isotope scale (often referred to as calibration) based on reliable reference materials (RMs) with accurately assigned values and uncertainties. Still, that does not guarantee the data compatibility (mutual agreement). Albeit metrological concepts related to data compatibility and measurement uncertainty have been developed and applied to analytical chemistry in general, these concepts have not yet been fully applied to stable isotope research. This can affect daily calibrations, analytical data and, therefore, data compatibility. In addition, IRMS users often prepare different laboratory standards themselves. Thereafter, users should then understand the contemporary concepts used for assigning RM value and uncertainty, as well as the limitations and potential problems associated with RMs. The history of RMs, preparation reports and also some problems in the past provide lessons to be learned. These include the <i>δ</i><sup>13</sup>C drift of LSVEC (the second anchor on the <i>δ</i><sup>13</sup>C scale before 2017), revisions to the value assignment principles, the introduction of replacements for LSVEC, related disputes and the potential underestimation of uncertainties for secondary RMs. The review describes metrological concepts related to isotopic scales, RMs and calibration hierarchies and data compatibility. The main RMs and their uncertainties are reviewed through the lens of metrology concepts. Additional focus is given to the VPDB scale for <i>δ</i><sup>13</sup>C and issues of scale discontinuity, which can significantly reduce data compatibility in <i>δ</i><sup>13</sup>C. The given examples of value and uncertainty assignment for RMs should be viewed as an example of value and uncertainty calculation in daily practice.</p>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Towards the compatibility of stable isotope data: review of related concepts, recent progress with reference materials and current challenges.\",\"authors\":\"Sergey Assonov\",\"doi\":\"10.1080/10256016.2024.2355194\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Comparing and combining stable isotope datasets from different laboratories and different years is essential for many research areas, such as isotope hydrology, greenhouse gas observations, food studies, isotope forensics, palaeo-reconstructions, etc. Data compatibility (i.e. the ability to combine data) is related to the data quality. The prerequisite for data comparability is data normalization to a common stable isotope scale (often referred to as calibration) based on reliable reference materials (RMs) with accurately assigned values and uncertainties. Still, that does not guarantee the data compatibility (mutual agreement). Albeit metrological concepts related to data compatibility and measurement uncertainty have been developed and applied to analytical chemistry in general, these concepts have not yet been fully applied to stable isotope research. This can affect daily calibrations, analytical data and, therefore, data compatibility. In addition, IRMS users often prepare different laboratory standards themselves. Thereafter, users should then understand the contemporary concepts used for assigning RM value and uncertainty, as well as the limitations and potential problems associated with RMs. The history of RMs, preparation reports and also some problems in the past provide lessons to be learned. These include the <i>δ</i><sup>13</sup>C drift of LSVEC (the second anchor on the <i>δ</i><sup>13</sup>C scale before 2017), revisions to the value assignment principles, the introduction of replacements for LSVEC, related disputes and the potential underestimation of uncertainties for secondary RMs. The review describes metrological concepts related to isotopic scales, RMs and calibration hierarchies and data compatibility. The main RMs and their uncertainties are reviewed through the lens of metrology concepts. Additional focus is given to the VPDB scale for <i>δ</i><sup>13</sup>C and issues of scale discontinuity, which can significantly reduce data compatibility in <i>δ</i><sup>13</sup>C. The given examples of value and uncertainty assignment for RMs should be viewed as an example of value and uncertainty calculation in daily practice.</p>\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2024-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://doi.org/10.1080/10256016.2024.2355194\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/6/12 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"93","ListUrlMain":"https://doi.org/10.1080/10256016.2024.2355194","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/6/12 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Towards the compatibility of stable isotope data: review of related concepts, recent progress with reference materials and current challenges.
Comparing and combining stable isotope datasets from different laboratories and different years is essential for many research areas, such as isotope hydrology, greenhouse gas observations, food studies, isotope forensics, palaeo-reconstructions, etc. Data compatibility (i.e. the ability to combine data) is related to the data quality. The prerequisite for data comparability is data normalization to a common stable isotope scale (often referred to as calibration) based on reliable reference materials (RMs) with accurately assigned values and uncertainties. Still, that does not guarantee the data compatibility (mutual agreement). Albeit metrological concepts related to data compatibility and measurement uncertainty have been developed and applied to analytical chemistry in general, these concepts have not yet been fully applied to stable isotope research. This can affect daily calibrations, analytical data and, therefore, data compatibility. In addition, IRMS users often prepare different laboratory standards themselves. Thereafter, users should then understand the contemporary concepts used for assigning RM value and uncertainty, as well as the limitations and potential problems associated with RMs. The history of RMs, preparation reports and also some problems in the past provide lessons to be learned. These include the δ13C drift of LSVEC (the second anchor on the δ13C scale before 2017), revisions to the value assignment principles, the introduction of replacements for LSVEC, related disputes and the potential underestimation of uncertainties for secondary RMs. The review describes metrological concepts related to isotopic scales, RMs and calibration hierarchies and data compatibility. The main RMs and their uncertainties are reviewed through the lens of metrology concepts. Additional focus is given to the VPDB scale for δ13C and issues of scale discontinuity, which can significantly reduce data compatibility in δ13C. The given examples of value and uncertainty assignment for RMs should be viewed as an example of value and uncertainty calculation in daily practice.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.