热氧化斜坡式高温碳分析仪能否用于土壤有机碳库的定量分析?

IF 6.1 1区 化学 Q1 CHEMISTRY, ANALYTICAL
Talanta Pub Date : 2025-12-01 Epub Date: 2025-05-22 DOI:10.1016/j.talanta.2025.128358
Manoharan Veeragathipillai, Leslie Janik, Jeffrey Baldock
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引用次数: 0

摘要

土壤有机碳(SOC)库的范围从易于分解的颗粒,缓慢分解的腐殖质和抗性有机碳。这些碳库(有时分别称为POC、HOC和ROC)可以用作碳核算应用程序(如Roth-C模型)的输入。本研究考察了斜坡热氧化,结合土壤样品在110°C至1000°C温度区间的演化气体(CO2)分析(RTO-EGA),是否可以量化有机碳在这些池中的分配。将176个样品的RTO-EGA斜坡剖面与物理分馏和13C NMR分析获得的土壤碳库数据相结合,建立多元线性回归(MLR)和偏最小二乘回归(PLSR)模型。样本被分成校准(110)和验证(51)组用于建模,由于分解温度过低和相关的高模型杠杆,15个样本被省略。样品还通过PLSR使用中红外漫反射(DRIFT)进行建模,与RTO-EGA进行比较。对于POC和HOC, RTO-EGA和DRIFT的校准和验证精度普遍较高,R2值为0.80-0.95,RMSE值为0.10- 0.20% C。对于未被校准集充分覆盖的样本,ROC池的估计相对较不准确。由于高温碳分析仪通常用于大多数土壤测试实验室,因此RTO-EGA方法可以很容易地用于碳库分析。这项概念验证研究表明,RTO-EGA方法与化学计量学建模相结合,是一种快速、经济有效的量化碳库的方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Can a ramped high-temperature carbon analyser with thermal oxidation be used to quantify soil organic carbon pools?

Soil organic carbon (SOC) pools range from easily decomposable particulate, slowly decomposable humic, and resistant organic carbon. These carbon pools, sometimes referred to as POC, HOC and ROC, respectively, can be used as inputs into carbon accounting applications such as the Roth-C model. This study examines whether ramped thermal oxidation, combined with evolved gas (CO2) analysis (RTO-EGA) of soil samples at temperature intervals between 110 °C and 1000 °C, can quantify the allocation of SOC to these pools. RTO-EGA ramping profiles of 176 samples were combined with respective soil carbon pool data obtained from physical fractionation and 13C NMR analysis, into multiple linear regression (MLR) and partial least squares regression (PLSR) models. The samples were split into calibration (110) and validation (51) sets for modelling, and 15 samples omitted due to excessively low decomposition temperatures and associated high model leverage. The samples were also modelled by PLSR using mid-infrared diffuse reflectance (DRIFT) for comparison with RTO-EGA. RTO-EGA and DRIFT calibration and validation accuracies were generally high for POC and HOC, with R2 values of 0.80-0.95 and RMSE values of 0.10-0.20 %C. Estimates of the ROC pool were relatively less accurate for samples not adequately covered by the calibration set. Since high-temperature carbon analysers are routinely used in most soil testing laboratories, the RTO-EGA approach can be easily adopted for carbon pool analysis. This proof-of-concept study demonstrated that the RTO-EGA method, combined with chemometric modelling, as a rapid and cost-effective method to quantify carbon pools.

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来源期刊
Talanta
Talanta 化学-分析化学
CiteScore
12.30
自引率
4.90%
发文量
861
审稿时长
29 days
期刊介绍: Talanta provides a forum for the publication of original research papers, short communications, and critical reviews in all branches of pure and applied analytical chemistry. Papers are evaluated based on established guidelines, including the fundamental nature of the study, scientific novelty, substantial improvement or advantage over existing technology or methods, and demonstrated analytical applicability. Original research papers on fundamental studies, and on novel sensor and instrumentation developments, are encouraged. Novel or improved applications in areas such as clinical and biological chemistry, environmental analysis, geochemistry, materials science and engineering, and analytical platforms for omics development are welcome. Analytical performance of methods should be determined, including interference and matrix effects, and methods should be validated by comparison with a standard method, or analysis of a certified reference material. Simple spiking recoveries may not be sufficient. The developed method should especially comprise information on selectivity, sensitivity, detection limits, accuracy, and reliability. However, applying official validation or robustness studies to a routine method or technique does not necessarily constitute novelty. Proper statistical treatment of the data should be provided. Relevant literature should be cited, including related publications by the authors, and authors should discuss how their proposed methodology compares with previously reported methods.
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