High field FT-ICR mass spectrometry data sets enlighten qualitative DOM alteration in lake sediment porewater profiles
High field FT-ICR mass spectrometry data sets enlighten qualitative DOM alteration in lake sediment porewater profiles
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DOI：
10.1016/j.orggeochem.2017.03.010
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发表时间：
2017-06-01
影响因子：
3
通讯作者：
Friese, Kurt
中科院分区：
文献类型：
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作者：
Herzsprung, Peter;von Tuempling, Wolf;Friese, Kurt
本研究探讨了如何考虑高场傅里叶变换离子回旋质谱 (FT-ICR-MS) 的所有现有主要数据池来评估溶解有机物 (DOM) 质量的变化。我们建议五个步骤，包括对基础流程的建议。选择来自德国一个高酸性采矿湖的两种不同的沉积物剖面，以及上覆湖水的不同混合度（混晶与半晶）作为模型，用于分析 30 厘米深度的沉积物孔隙水样品。评估元素组成的 FT-ICR-MS 数据集是否存在特定 CHO 分子系列。在六（七）个孔隙水深度组中，确定了 63（127）个不同的数据池。第一步，使用所有六（七）个样本（总共同存在）中存在的成分对数据池进行评估。通过质量峰强度的统计排名分析（样本间排名分析）来分析这组组分。第二步包括将所有样本中不存在的成分分配到特定数据池（部分共同存在和不同存在池）。在第三步中选择这些池中最大的（包含大多数组件），以便使用 van Krevelen 图可视化 DOM 质量变化。第四步讨论了底层 DOM 转换。第五步包括并行分配 DOM 质量和无机化合物浓度的变化。我们确定了两个深度剖面的主要变化，从而证明了 DOM 数据池评估在阐明生物地球化学过程方面的潜力。 (C) 2017 Elsevier Ltd. 保留所有权利。
This study investigates how changes in dissolved organic matter (DOM) quality can be evaluated considering all existing principal data pools from high field Fourier transform ion cyclotron mass spectrometry (FT-ICR-MS). We recommend five steps, including suggestions on underlying processes. Two different sediment profiles from a highly acidic mining lake in Germany with different mixis of the overlying lake water (dimictic vs. meromictic) were selected as a model for the analysis of sediment porewater sample to a depth of 30 cm. FT-ICR-MS datasets of elemental composition were evaluated for the presence of specific CHO molecular series. In six (seven) porewater depth groups of 63 (127) different data pools were identified. In the first step, the data pools were evaluated with components present in all six (seven) samples (total common presence). This group of components was analysed via a statistical rank analysis of the mass peak intensities (inter sample rankings analysis). The second step comprised the allocation of components which were not present in all samples to specific data pools (partial common presence and different presence pools). Of these pools the largest (containing most components) were selected in the third step for visualization of DOM quality change using van Krevelen diagrams. Underlying DOM transformations were discussed in the fourth step. The fifth step comprised the parallel allocation of changes in DOM quality and in concentrations of inorganic compounds. We identified the principal changes in both depth profiles and thereby demonstrated the potential of DOM data pool evaluation for elucidating biogeochemical processes. (C) 2017 Elsevier Ltd. All rights reserved.