TEXPRESS v1.0: A MATLAB toolbox for efficient processing of GDGT LC–MS data

Liquid chromatography–mass spectrometry (LC–MS) analysis of glycerol dialkyl glycerol tetraethers (GDGTs) from sediment and soil samples has become a widely adopted approach for reconstructing past ocean and continental climate variables such as temperature and pH. The LC–MS data used for constructing these GDGT climate proxies are taken directly from the peak area values of individual GDGT [M+H]⁺ ions, often determined from manual peak integration due to unreliable computer integrators in commercial software, particularly in cases of complex baselines, asymmetric peak shapes and peak coelution. Manual integration is not only time consuming, but also prone to user induced inconsistency when individuals utilize different criteria for peak/baseline definition. To overcome these problems, we have developed a user friendly, graphical user interface (GUI) programmed in the MATLAB environment, allowing users to efficiently and reproducibly perform batch processing and peak integration of LC–MS data. The program, “TEXPRESS” v1.0 (“tetraether index express”), incorporates modern chemometric based techniques for baseline definition and deconvolution of complex chromatographic peaks and we show that LC–MS data processed using the TEXPRESS toolbox are in strong agreement with results obtained from manual peak integration. We provide a general overview of the concepts and architecture of the TEXPRESS toolbox and discuss the advantages of chemometric based peak integration methods for processing branched and isoprenoid GDGT LC–MS data.     

Study of the influence of different organic pollutants on Cu accumulation by Halimione portulacoides

The influence of each of four organic pollutants selected from among those commonly found in coastal areas, 1,1-dichloro-2,2-bis(p-chlorophenyl) ethylene (DDE), monobutyltin (MBT), Triton X-100 and polycyclic aromatic hydrocarbons (PAHs), on Cu accumulation by Halimione portulacoides was investigated. Experiments were carried out in a laboratory setting, either in hydroponics (sediment elutriate) or in a salt marsh sediment (Cávado River, NW Portugal) soaked in elutriate. Groups of H. portulacoides were exposed to media for 6 days spiked with 10 mg/L Cu(II) and with one of the selected pollutants, at an environmentally realistic concentration. DDE and MBT did not cause any major change on Cu accumulation by H. portulacoides, whereas PAHs slightly increased accumulation only in hydroponics i.e. in the absence of sediment. On the other hand, the non-ionic surfactant Triton X-100 markedly favoured Cu accumulation on plant roots both in the presence and absence of sediment. The addition of DDE, MBT and Triton X-100 also favoured Cu solubility from sediments. Therefore, the simultaneous presence of pollutants from different nature (inorganic and organic) in the estuarine environment may result in a composition of water column, pore water, sediment or biota different of that expected considering the effect of each individual pollutant.     

滇池湖泊沉积物中甘油二烷基甘油四醚脂的组成特征

以云贵高原浅水湖泊—滇池作为研究对象,在对湖心一个63 cm沉积物柱样的有机质总体及分子有机地球化学研究的基础上,对沉积物有机质中甘油二烷基甘油四醚脂（GDGTs）组成进行了测定。研究结果表明,滇池湖泊沉积物中具有丰富的GDGTs,且以反映陆相土壤来源的支链类GDGTs为主。该沉积柱样中支链类GDGTs的环化指标（CBT）和甲基化指标（MBT）揭示出:1）整个沉积阶段滇池流域土壤的pH值主要介于7.5~8.2,相对中、下部层段,上部层段pH值呈现略微减小的趋势;2）基于CBT/MBT重建的滇池流域内年平均气温呈现由早期的温暖潮湿气候逐渐向寒冷干燥气候变化,近来又有所回暖的变化过程,这可以很好地解释该沉积柱中、下层段记录的总体有机质主要特征的演化规律。     

Removal of tributyltin (TBT) by live and dead microalgal cells

The removal of tributyltin (TBT) from artificial wastewater by dead and live cells of four microalgal species, Chlorella miniata, C. sorokiniana, Scenedesmus dimorphus and S. platydiscus was investigated. Dead cells were generally more efficient in removing TBT during three days exposure. More than 90% and 85% TBT were removed by dead cells of Scenedesmus and Chlorella, respectively. Although the removal percentages of live microalgae were smaller, TBT was continuously absorbed and degraded, and TBT removal percentages similar to respective dead cells were achieved at the end of 14 days treatment. Degradation products, DBT and MBT, were recorded mainly inside the cells, and intracellular MBT concentrations were significantly higher than DBT. In terms of TBT removal, Scenedesmus cells were more effective than Chlorella, probably due to larger cell sizes and biomass. However, TBT specific uptake and degradation by Chlorella was higher than in Scenedesmus. The highest specific TBT uptake values, as well as the highest degradation, were recorded in C. miniata, a Hong Kong isolate.     

STRUCTURAL EVOLUTION OF THE KULU-RAMPUR AND LARJI WINDOW ZONES, WESTERN HIMALAYA, INDIA

STRUCTURAL EVOLUTION OF THE KULU-RAMPUR AND LARJI WINDOW ZONES, WESTERN HIMALAYA, INDIA     

GDGT在全球气候变化研究中的应用进展

甘油双烷基甘油四醚(Glycerol Dialkyl Glycerol Tetraethers,GDGTs)是古菌和细菌等微生物细胞膜脂的主要组成部分,包括类异戊二烯GDGTs和支链GDGTs两大类。类异戊二烯GDGTs主要来自海洋泉古菌,其分子中环结构的数目随温度变化而变化。描述类异戊二烯GDGTs相对分布的TEX86指标与表层海水温度(SST)和湖泊表面温度(LST)之间存在良好的线性关系,可以用来重建长时间尺度,特别是地质历史高温时期的古海洋和古湖沼温度。支链GDGTs则主要来自土壤中的厌氧细菌,其分子中环数量和碳链中的甲基数目与大气温度和土壤pH相关,由此而建立的MBT/CBT指标可以通过对近海沉积物的研究反演流域气温的历史变化。将支链GDGTs和类异戊二烯GDGTs相结合而形成的BIT指标则可以用来解析近海沉积物中陆源土壤有机质的来源和分布,与上述指标的结合可以提高结果的可靠性。GDGTs及其相关指标正在逐渐成为推动海洋和陆地全球气候变化研究的重要工具。     

Altitudinal shift in stable hydrogen isotopes and microbial tetraether distribution in soils from the Southern Alps,NZ: Implications for paleoclimatology and paleoaltimetry

The Southern Alps are an ideal locality for studying patterns of isotopic fractionation associated with orographic precipitation. We have evaluated whether altitudinal change is reflected in the stable hydrogen isotopic composition (δ²H) of stream water, plant stem water and leaf wax lipids (n-alkanes) from living plants and soils, as well as in soil temperature. Samples were collected along an altitudinal transect from the windward side of the Southern Alps to Lake Hawea in the rain shadow. The results indicate that δ²H values of stem water overlap with stream water, demonstrating a gradual decrease with elevation that complied with modeled Rayleigh distillation, reflecting an isotopic lapse rate of −18.0 (± 1.1, 1σ)‰/km. Leaf and soil n-alkanes shared similar δ²H values and were ²H depleted relative to stem/stream waters. The values for soil n-alkanes indicated an isotopic lapse rate of −21.8 (± 2.0, 1σ)‰/km, consistent with precipitation data and long term observations. MBT/CBT derived soil temperature values based on the relative distribution of microbial tetraether lipids were similar to midsummer temperature observations, displaying an elevational decrease rate of −5.6 (± 1.5, 1σ) °C/km, consistent with regional and global observations.The results indicate that sedimentary lipid δ²H and microbial tetraether temperature estimates captured altitudinal trends in the isotopic composition of precipitation and mean temperature and further support their application in the reconstruction of past climate and surface uplift histories. However, notable differences in isotopic composition and temperature estimates between in situ soils and those with downslope transport of material emphasize the importance of facies analysis when interpreting past systems.