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Geochemical dispersion of gold-bearing quartz veins in the Wadi Abu Khusheiba area in Southern Jordan 约旦南部 Wadi Abu Khusheiba 地区含金石英矿脉的地球化学分布。
IF 2.3 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2024-03-02 DOI: 10.1186/s12932-024-00085-9
Mariam Mosleh, Jasmi Hafiz Abdul Aziz, Muhammad Hatta Roselee, Ahmed Al-Shorman, Mahmoud Al Tamimi, Abdelkarim Alsoudi

This study delves into the geochemical dispersion of gold-bearing quartz veins in the Wadi Abu Khusheiba area, southern Jordan, with a focus on uncovering the complex patterns of mineralization and their geological significance. Employing an in-depth geochemical analysis of 24 rock samples from the region, we identified that these samples are predominantly hosted by oversaturated rhyolitic rocks, characterized by high SiO2 content and abundant free Quartz and orthoclase minerals. The mineralized zone of the quartz veins is particularly notable for its gold and silver concentrations, with maximum values reaching up to 5 ppm for gold and 18 ppm for silver. Our investigation into the elemental correlations revealed nuanced relationships, dependent on the 21 sample and analyzed at confidence level of (85%). Contrary to initial assumptions, we did not find a significant positive correlation between gold (Au) and arsenic (As), nor significant negative correlations between gold and other trace elements. These insights are critical for understanding the geochemical behavior of gold in the area and offer a nuanced view of elemental associations. The results of this study are significant for both academic research and practical exploration. They enhance our comprehension of the geological history and mineralization processes in Wadi Abu Khusheiba, providing valuable data that can inform future exploration strategies and deepen our understanding of mineral deposition in similar geological settings. This research not only contributes to the scientific community’s knowledge of the area’s geochemistry but also has potential implications for the mining and exploration industries.

本研究深入探讨了约旦南部 Wadi Abu Khusheiba 地区含金石英矿脉的地球化学分布,重点是揭示复杂的矿化模式及其地质意义。通过对该地区的 24 个岩石样本进行深入的地球化学分析,我们发现这些样本主要赋存于过饱和流纹岩中,其特点是二氧化硅含量高,游离石英和正长石矿物丰富。石英脉矿化带的金银浓度尤为突出,金的最大值达到百万分之五,银的最大值达到百万分之十八。我们对元素相关性的调查发现了微妙的关系,这些关系取决于 21 个样本,分析的置信度为(85%)。与最初的假设相反,我们没有发现金(Au)与砷(As)之间存在显著的正相关关系,也没有发现金与其他微量元素之间存在显著的负相关关系。这些见解对于理解该地区金的地球化学行为至关重要,并为元素关联提供了一个细致入微的视角。这项研究的结果对于学术研究和实际勘探都具有重要意义。它们加深了我们对 Wadi Abu Khusheiba 地质历史和成矿过程的理解,提供了宝贵的数据,可以为未来的勘探战略提供依据,并加深我们对类似地质环境中矿物沉积的理解。这项研究不仅有助于科学界对该地区地球化学的了解,而且对采矿和勘探行业也有潜在的影响。
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引用次数: 0
Impact of some heavy metal accumulation in different organs on fish quality from Bardawil Lake and human health risks assessment 重金属在不同器官中的积累对巴尔达维尔湖鱼类质量的影响及人类健康风险评估。
IF 2.3 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2024-01-11 DOI: 10.1186/s12932-023-00084-2
Ghada Y. Zaghloul, Hoda A. Eissa, Amira Y. Zaghloul, Mahmoud S. Kelany, Mohamed A. Hamed, Khalid M. El Moselhy

Bardawil Lake is a unique aquatic ecosystem that provides a habitat for various fish and other marine organisms. This study aimed to analyze the quality of fish species to prove that this lake is free of pollution, not other Egyptian lakes, due to the accumulation of some heavy metals (Cd, Pb, Cu, and Zn) in various tissues of fish species that were caught from this lake. Thirty-five fish samples were caught during the Spring of 2018 from seven different species: Mugil cephalus, Liza auratus, Sparus aurata, Dicentrarchus labrax, Siganus rivulatus, Anguilla angilla, and Solae solea. The Association of Official Analytical Chemists methods using a spectrophotometer determined the biochemical composition. In contrast, atomic absorption spectrometry (AAS) was employed to determine the heavy metals expressed by µg/g wet weight. Results exposed that the accumulation of essential micronutrient (Cu, Zn) content was higher than toxic elements (Cd & Pb) in muscles in order to Zn > Cu > Pb > Cd. Muscles < gills < liver in order of all metals except Pb with order muscles < liver < gills. The metals studied in the muscles were lower than those set by the WHO and the EU standards. The carcinogenic risk with lower allowable limits of 1 × 10–6 to 1 × 10–4 in both normal and high consumption groups; target and total target hazard quotients (THQ & HI) in muscles were < 1. The biochemical composition level was highest in the liver, except for protein, which was highest in muscle for all fish species. There is no evidence of harmful contaminants in the muscular tissue of the fish sampled from Bardawil Lake, although fishing activity. However, customers should know that health concerns may be associated with overeating fish.

巴达维尔湖是一个独特的水生生态系统,为各种鱼类和其他海洋生物提供了栖息地。本研究旨在分析鱼类物种的质量,以证明该湖与其他埃及湖泊不同,没有受到污染,因为在该湖捕获的鱼类物种的各种组织中积累了一些重金属(镉、铅、铜和锌)。2018 年春季捕获的 35 份鱼类样本来自 7 个不同的物种:这些鱼类包括:Mugil cephalus、Liza auratus、Sparus aurata、Dicentrarchus labrax、Siganus rivulatus、Anguilla angilla 和 Solae solea。官方分析化学家协会使用分光光度计测定生化成分。而原子吸收光谱法(AAS)则以微克/克湿重表示重金属含量。结果表明,肌肉中必需微量元素(铜、锌)含量的积累高于有毒元素(镉和铅),依次为锌>铜>铅>镉。正常和高摄入量组的肌肉-6至1×10-4;肌肉中的目标和总目标危害商数(THQ和HI)分别为
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引用次数: 0
Genetic implications of Th/U, Th/K, and U/K ratios for U mineralizations: A case study from El-Missikat and El-Erediya shear zones, Eastern Desert, Egypt 铀矿化的Th/U、Th/K和U/K比值的成因意义:埃及东部沙漠El Missikat和El Erediya剪切带的一个案例研究。
IF 2.3 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2023-10-17 DOI: 10.1186/s12932-023-00083-3
Mahmoud Abdel-Hakeem, Mohamed El-Tahir, Ehab Abu Zeid, Hassan Rageh

The current work is an attempt to reveal the possible utilization of the radiometric measurements to build-up a complete genetic scenario for magmatic, hydrothermal, and supergene uranium mineralization. For this purpose, ground gamma-ray survey was performed through the exploratory tunnels dug perpendicular to El-Missikat and El-Erediya shear zones, the Central Eastern Desert of Egypt. Contents of U, Th, and K were measured for the host pink granite (e.g., avg.15.94 U ppm, 35.62 Th ppm, and 6.63% K), alteration zones (brecciation, silicification, greisenization, kaolinization and hematitization) (e.g., avg. 124.01 U ppm, 63.67 Th ppm, and 3.13% K), and mineralized silica veins (e.g., avg. 312.65 U ppm, 92.22 Th ppm, and 2.62% K). All of these data were graphically represented as correlation plots of Th vs. U, Th/U vs. U, Th vs. K, and U/K vs. Th/K. The overall results indicate magmatic, hydrothermal, and supergene sources of El-Missikat and El-Erediya U mineralization. The magma-derived U contents are enclosed mainly in the pink granite that is mostly characterized by normal Th/U (2.5–5) and Th/K ratios (3–5*10–4). The hydrothermal processes through the alteration zones and mineralized silica veins are reflected by the weak correlation of Th with U (e.g. r = 0.13 and − 0.39), the strong negative correlation of Th/U ratio with U (e.g. r = − 0.82), 2.5˃Th/U˃0.1, Th/K˃5*10–4, Th/K < 3*10–4, and the strong positive correlation of U/K with Th/K (e.g. r = 0.91) as well as the occurrence of thorite, columbite, xenotime and hydrothermal zircon (0.5 > Th/U ≤ 0.1). Afterwards, the hydrothermal mineralization underwent some degrees of chemical weathering that resulted in supergene U mineralization whose fingerprints can be traced by the occurrence of secondary U minerals (e.g. kasolite and uranophane), Th/U ratios ≤ 0.1, and the weak correlation between Th/K and U/K (e.g. r = 0.39 and − 0.11).

目前的工作试图揭示放射性测量的可能利用,以建立岩浆、热液和浅生铀矿化的完整成因场景。为此,通过垂直于埃及中东沙漠El Missikat和El Erediya剪切带挖掘的勘探隧道进行了地面伽马射线测量。测量了寄主粉红色花岗岩的U、Th和K含量(例如,平均15.94 U ppm、35.62 Th ppm和6.63%K)、蚀变带(角砾岩化、硅化、云灰岩化、高岭土化和赤铁矿化)(例如平均124.01 U ppm、63.67 Th ppm、3.13%K)和矿化硅石脉(例如平均312.65 U ppm、92.22 Th ppm,和2.62%K)。所有这些数据都以Th与U、Th/U与U、Th/K和U/K与Th/K的相关图的形式表示。总体结果表明El Missikat和El Erediya U矿化的岩浆、热液和表生来源。岩浆衍生的铀含量主要包裹在粉红色花岗岩中,其主要特征是正常的Th/U(2.5-5)和Th/K比率(3-5*10-4)。通过蚀变带和矿化硅石脉的热液过程反映在Th与U的弱相关性上(例如 = 0.13和-0.39),Th/U比值与U呈强负相关(如r = -0.82),2.5 Th/U 0.1,Th/K 5*10-4,Th/K -4,以及U/K与Th/K的强正相关(例如r = 0.91),以及钍石、铌石、捕虏体和热液锆石的产状(0.5 > Th/U ≤ 0.1)。之后,热液矿化经历了一定程度的化学风化,导致浅生铀矿化,其指纹可以通过次生铀矿物(如钙石和铀云母)的出现来追踪,Th/U比率 ≤ 0.1,以及Th/K和U/K之间的弱相关性(例如r = 0.39和-0.11)。
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引用次数: 0
Eu(III) and Am(III) adsorption on aluminum (hydr)oxide minerals: surface complexation modeling Eu(III)和Am(III)在铝(水)氧化物矿物上的吸附:表面络合模拟
IF 2.3 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2023-06-20 DOI: 10.1186/s12932-023-00081-5
Anshuman Satpathy, Amy E. Hixon
<div><p>Americium is a highly radioactive actinide element found in used nuclear fuel. Its adsorption on aluminum (hydr)oxide minerals is important to study for at least two reasons: (i) aluminum (hydr)oxide minerals are ubiquitous in the subsurface environment and (ii) bentonite clays, which are proposed engineered barriers for the geologic disposal of used nuclear fuel, have the same ≡AlOH sites as aluminum (hydr)oxide minerals. Surface complexation modeling is widely used to interpret the adsorption behavior of heavy metals on mineral surfaces. While americium sorption is understudied, multiple adsorption studies for europium, a chemical analog, are available. In this study we compiled data describing Eu(III) adsorption on three aluminum (hydr)oxide minerals—corundum (α-Al<sub>2</sub>O<sub>3</sub>), γ-alumina (γ-Al<sub>2</sub>O<sub>3</sub>) and gibbsite (γ-Al(OH)<sub>3</sub>)—and developed surface complexation models for Eu(III) adsorption on these minerals by employing diffuse double layer (DDL) and charge distribution multisite complexation (CD-MUSIC) electrostatic frameworks. We also developed surface complexation models for Am(III) adsorption on corundum (α-Al<sub>2</sub>O<sub>3</sub>) and γ-alumina (γ-Al<sub>2</sub>O<sub>3</sub>) by employing a limited number of Am(III) adsorption data sourced from literature. For corundum and γ-alumina, two different adsorbed Eu(III) species, one each for strong and weak sites, were found to be important regardless of which electrostatic framework was used. The formation constant of the weak site species was almost 10,000 times weaker than the formation constant for the corresponding strong site species. For gibbsite, two different adsorbed Eu(III) species formed on the single available site type and were important for the DDL model, whereas the best-fit CD-MUSIC model for Eu(III)-gibbsite system required only one Eu(III) surface species. The Am(III)-corundum model based on the CD-MUSIC framework had the same set of surface species as the Eu(III)-corundum model. However, the log K values of the surface reactions were different. The best-fit Am(III)-corundum model based on the DDL framework had only one site type. Both the CD-MUSIC and the DDL model developed for Am(III)-γ-alumina system only comprised of one site type and the formation constant of the corresponding surface species was ~ 500 times stronger and ~ 700 times weaker than the corresponding Eu(III) species on the weak and the strong sites, respectively. The CD-MUSIC model for corundum and both the DDL and the CD-MUSIC models for γ-alumina predicted the Am(III) adsorption data very well, whereas the DDL model for corundum overpredicted the Am(III) adsorption data. The root mean square of errors of the DDL and CD-MUSIC models developed in this study were smaller than those of two previously-published models describing Am(III)-γ-alumina system, indicating the better predictive capacity of our models. Overall, our results suggest that using Eu(III)
镅是一种高放射性的锕系元素,存在于使用过的核燃料中。研究其在氧化铝(水合)矿物上的吸附是很重要的,至少有两个原因:(i)氧化铝(水合)矿物在地下环境中无处不在;(ii)膨润土粘土是用于地质处理乏燃料的工程屏障,与氧化铝(水合)矿物具有相同的≡AlOH位点。表面络合模型被广泛用于解释重金属在矿物表面的吸附行为。虽然对镅的吸附研究不足,但对化学类似物铕的多种吸附研究是可用的。本文收集了Eu(III)在刚玉(α-Al2O3)、γ-氧化铝(γ-Al2O3)和三水铝石(γ-Al(OH)3)上吸附的数据,并采用扩散双层(DDL)和电荷分布多位点络合(CD-MUSIC)静电框架建立了Eu(III)在这些矿物上吸附的表面络合模型。我们还利用文献中有限数量的Am(III)吸附数据,建立了Am(III)在刚玉(α-Al2O3)和γ-氧化铝(γ-Al2O3)上吸附的表面络合模型。对于刚玉和γ-氧化铝,无论使用哪种静电框架,两种不同的Eu(III)吸附物质(强弱位点各一种)都很重要。弱位点物种的形成常数比对应的强位点物种的形成常数弱近1万倍。对于三叉石,两种不同的吸附Eu(III)物质在单一有效位点类型上形成,这对DDL模型很重要,而Eu(III)-三叉石体系的最佳CD-MUSIC模型只需要一种Eu(III)表面物质。基于CD-MUSIC框架的Am(III)-刚玉模型具有与Eu(III)-刚玉模型相同的一组表面物质。然而,表面反应的log K值不同。基于DDL框架的最佳拟合Am(III)-刚玉模型只有一种站点类型。针对Am(III)-γ-氧化铝体系所建立的CD-MUSIC模型和DDL模型,在弱位和强位上对应的表面物质形成常数分别比对应的Eu(III)物质强~ 500倍和弱~ 700倍。刚玉的CD-MUSIC模型以及γ-氧化铝的DDL和CD-MUSIC模型对Am(III)的吸附数据预测较好,而刚玉的DDL模型对Am(III)的吸附数据预测过高。本研究建立的DDL和CD-MUSIC模型的误差均方根均小于先前发表的两个描述Am(III)-γ-氧化铝体系的模型,表明我们的模型具有更好的预测能力。总的来说,我们的研究结果表明,使用Eu(III)作为Am(III)的类似物是预测Am(III)在表征良好的矿物上吸附的实用方法。图形抽象
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引用次数: 0
Accelerated mineral bio-carbonation of coarse residue kimberlite material by inoculation with photosynthetic microbial mats 通过接种光合微生物垫加速金伯利岩粗渣材料的矿物生物碳化作用
IF 2.3 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2023-06-16 DOI: 10.1186/s12932-023-00082-4
Thomas Ray Jones, Jordan Poitras, Emma Gagen, David John Paterson, Gordon Southam

Microbiological weathering of coarse residue deposit (CRD) kimberlite produced by the Venetia Diamond Mine, Limpopo, South Africa enhanced mineral carbonation relative to untreated material. Cultures of photosynthetically enriched biofilm produced maximal carbonation conditions when mixed with kimberlite and incubated under near surface conditions. Interestingly, mineral carbonation also occurred in the dark, under water-saturated conditions. The examination of mineralized biofilms in ca. 150 µm-thick-sections using light microscopy, X-ray fluorescence microscopy (XFM) and backscatter electron—scanning electron microscopy-energy dispersive x-ray spectrometry demonstrated that microbiological weathering aided in producing secondary calcium/magnesium carbonates on silicate grain boundaries. Calcium/magnesium sulphate(s) precipitated under vadose conditions demonstrating that evaporites formed upon drying. In this system, mineral carbonation was only observed in regions possessing bacteria, preserved within carbonate as cemented microcolonies. 16S rDNA molecular diversity of bacteria in kimberlite and in natural biofilms growing on kimberlite were dominated by Proteobacteria that are active in nitrogen, phosphorus and sulphur cycling. Cyanobacteria based enrichment cultures provided with nitrogen & phosphorus (nutrients) to enhance growth, possessed increased diversity of bacteria, with Proteobacteria re-establishing themselves as the dominant bacterial lineage when incubated under dark, vadose conditions consistent with natural kimberlite. Overall, 16S rDNA analyses revealed that weathered kimberlite hosts a diverse microbiome consistent with soils, metal cycling and hydrocarbon degradation. Enhanced weathering and carbonate-cemented microcolonies demonstrate that microorganisms are key to mineral carbonation of kimberlite.

南非林波波省Venetia钻石矿生产的金伯利岩粗渣矿床(CRD)的微生物风化作用相对于未经处理的材料增强了矿物碳酸化。当与金伯利岩混合并在近地表条件下培养时,光合作用富集的生物膜产生最大的碳酸化条件。有趣的是,矿物碳酸化也发生在黑暗中,在水饱和的条件下。利用光学显微镜、x射线荧光显微镜(XFM)和后向散射电子扫描电子显微镜-能量色散x射线光谱法对约150 μ m厚的矿化生物膜进行了检查,结果表明微生物风化有助于在硅酸盐晶界上产生次生碳酸钙/碳酸镁。硫酸钙/硫酸镁在真空条件下沉淀,表明蒸发岩是在干燥后形成的。在这个系统中,矿物碳酸化只在有细菌的区域被观察到,这些细菌以胶结的微菌落形式保存在碳酸盐中。金伯利岩和生长在金伯利岩上的天然生物膜细菌的16S rDNA分子多样性以参与氮、磷、硫循环的变形菌群为主。提供氮的蓝藻富营养化培养;磷(营养物)促进生长,增加了细菌的多样性,当在与自然金伯利岩相一致的黑暗、真空条件下孵育时,变形杆菌重新确立了自己作为主要细菌谱系的地位。总的来说,16S rDNA分析显示,风化的金伯利岩拥有与土壤、金属循环和碳氢化合物降解一致的多种微生物群。增强的风化作用和碳酸盐胶结的微菌落表明微生物是金伯利岩矿物碳酸化的关键。
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引用次数: 1
Effect of Ni2+, Zn2+, and Co2+ on green rust transformation to magnetite Ni2+、Zn2+和Co2+对绿锈向磁铁矿转变的影响
IF 2.3 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2022-12-29 DOI: 10.1186/s12932-022-00080-y
Orion Farr, Evert J. Elzinga, Nathan Yee

In this study, we investigated Ni2+, Zn2+, and Co2+ mineralogical incorporation and its effect on green rust transformation to magnetite. Mineral transformation experiments were conducted by heating green rust suspensions at 85 °C in the presence of Ni2+, Zn2+, or Co2+ under strict anoxic conditions. Transmission electron microscopy and powder X-ray diffraction showed the conversion of hexagonal green rust platelets to fine grained cubic magnetite crystals. The addition of Ni2+, Zn2+, and Co2+ resulted in faster rates of mineral transformation. The conversion of green rust to magnetite was concurrent to significant increases in metal uptake, demonstrating a strong affinity for metal sorption/co-precipitation by magnetite. Dissolution ratio curves showed that Ni2+, Zn2+, and Co2+ cations were incorporated into the mineral structure during magnetite crystal growth. The results indicate that the transformation of green rust to magnetite is accelerated by metal impurities, and that magnetite is a highly effective scavenger of trace metals during mineral transformation. The implications for using diagenetic magnetite from green rust precursors as paleo-proxies of Precambrian ocean chemistry are discussed.

Graphical Abstract

在本研究中,我们研究了Ni2+、Zn2+和Co2+的矿物掺入及其对绿锈向磁铁矿转变的影响。在严格的缺氧条件下,在85°C下,在Ni2+、Zn2+或Co2+的存在下加热绿锈悬浮液进行矿物转化实验。透射电子显微镜和粉末x射线衍射显示六方绿锈片转化为细粒立方磁铁矿晶体。Ni2+、Zn2+和Co2+的加入使矿物转化速度加快。绿锈向磁铁矿的转化与金属吸收量的显著增加同时发生,表明磁铁矿对金属的吸附/共沉淀具有很强的亲和力。溶蚀比曲线显示,在磁铁矿晶体生长过程中,Ni2+、Zn2+和Co2+阳离子被纳入矿物结构。结果表明,金属杂质加速了绿锈向磁铁矿的转变,磁铁矿是矿物转变过程中微量金属的高效清除剂。讨论了绿铁锈前体成岩磁铁矿作为前寒武纪海洋化学古代用物的意义。图形抽象
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引用次数: 4
Geochemistry and microbiology of tropical serpentine soils in the Santa Elena Ophiolite, a landscape-biogeographical approach 圣埃琳娜蛇绿岩热带蛇纹岩土壤的地球化学和微生物学,景观-生物地理学方法
IF 2.3 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2022-09-27 DOI: 10.1186/s12932-022-00079-5
Agustín F. Solano-Arguedas, Christopher Boothman, Laura Newsome, Richard A. D. Pattrick, Daniel Arguedas-Quesada, Clare H. Robinson, Jonathan R. Lloyd

The Santa Elena Ophiolite is a well-studied ultramafic system in Costa Rica mainly comprised of peridotites. Here, tropical climatic conditions promote active laterite formation processes, but the biogeochemistry of the resulting serpentine soils is still poorly understood. The aim of this study was to characterize the soil geochemical composition and microbial community of contrasting landscapes in the area, as the foundation to start exploring the biogeochemistry of metals occurring there. The soils were confirmed as Ni-rich serpentine soils but differed depending on their geographical location within the ophiolite area, showing three serpentine soil types. Weathering processes resulted in mountain soils rich in trace metals such as cobalt, manganese and nickel. The lowlands showed geochemical variations despite sharing similar landscapes: the inner ophiolite lowland soils were more like the surrounding mountain soils rather than the north lowland soils at the border of the ophiolite area, and within the same riparian basin, concentrations of trace metals were higher downstream towards the mangrove area. Microbial community composition reflected the differences in geochemical composition of soils and revealed potential geomicrobiological inputs to local metal biogeochemistry: iron redox cycling bacteria were more abundant in the mountain soils, while more manganese-oxidizing bacteria were found in the lowlands, with the highest relative abundance in the mangrove areas. The fundamental ecological associations recorded in the serpentine soils of the Santa Elena Peninsula, and its potential as a serpentinization endemism hotspot, demonstrate that is a model site to study the biogeochemistry, geomicrobiology and ecology of tropical serpentine areas.

Graphical Abstract

圣埃琳娜蛇绿岩是哥斯达黎加一个以橄榄岩为主的超镁铁质体系。在这里,热带气候条件促进了活跃的红土形成过程,但所产生的蛇形土壤的生物地球化学仍然知之甚少。本研究的目的是表征该地区不同景观的土壤地球化学组成和微生物群落,作为开始探索该地区金属生物地球化学的基础。土壤为富镍蛇纹石土壤,但在蛇绿岩区域内因地理位置不同而存在差异,呈现出3种蛇纹石土壤类型。风化过程导致山地土壤富含钴、锰和镍等微量金属。在景观相似的情况下,各洼地呈现出地球化学差异:蛇绿岩内洼地土壤更接近周围山地土壤而非蛇绿岩区边界的北部洼地土壤;在同一河岸盆地内,向红树林下游方向的微量金属浓度更高。微生物群落组成反映了土壤地球化学组成的差异,揭示了潜在的地球微生物对当地金属生物地球化学的输入:山地土壤中铁氧化还原循环细菌更丰富,而低地土壤中锰氧化细菌更多,其中红树林地区的相对丰度最高。圣埃琳娜半岛蛇纹石土壤中记录的基本生态关联及其作为蛇纹石化特有热点的潜力,表明该地区是研究热带蛇纹石地区生物地球化学、地球微生物学和生态学的典型地点。图形抽象
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引用次数: 0
Improved volume variable cluster model method for crystal-lattice optimization: effect on isotope fractionation factor 改进体积变簇模型法优化晶体晶格:对同位素分馏因子的影响
IF 2.3 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2022-05-22 DOI: 10.1186/s12932-022-00078-6
Yan-Fang Wang, Xin-Yue Ji, Le-Cai Xing, Peng-Dong Wang, Jian Liu, Tian-Di Zhang, Hao-Nan Zhao, Hong-Tao He

The isotopic fractionation factor and element partition coefficient can be calculated only after the geometric optimization of the molecular clusters is completed. Optimization directly affects the accuracy of some parameters, such as the average bond length, molecular volume, harmonic vibrational frequency, and other thermodynamic parameters. Here, we used the improved volume variable cluster model (VVCM) method to optimize the molecular clusters of a typical oxide, quartz. We documented the average bond length and relative volume change. Finally, we extracted the harmonic vibrational frequencies and calculated the equilibrium fractionation factor of the silicon and oxygen isotopes. Given its performance in geometrical optimization and isotope fractionation factor calculation, we further applied the improved VVCM method to calculate isotope equilibrium fractionation factors of Cd and Zn between the hydroxide (Zn–Al layered double hydroxide), carbonate (cadmium-containing calcite) and their aqueous solutions under superficial conditions. We summarized a detailed procedure and used it to re-evaluate published theoretical results for cadmium-containing hydroxyapatite, emphasizing the relative volume change for all clusters and confirming the optimal point charge arrangement (PCA). The results showed that the average bond length and isotope fractionation factor are consistent with those published in previous studies, and the relative volume changes are considerably lower than the results calculated using the periodic boundary method. Specifically, the average Si–O bond length of quartz was 1.63 Å, and the relative volume change of quartz centered on silicon atoms was  − 0.39%. The average Zn–O bond length in the Zn–Al-layered double hydroxide was 2.10 Å, with a relative volume change of 1.96%. Cadmium-containing calcite had an average Cd–O bond length of 2.28 Å, with a relative volume change of 0.45%. At 298 K, the equilibrium fractionation factors between quartz, Zn–Al-layered double hydroxide, cadmium-containing calcite, and their corresponding aqueous solutions were (Delta ^{30/28} {text{Si}}_{{{text{Qtz-H}}_{4} {text{SiO}}_{4} }} = 2.20{permil} ), (Delta^{18/16} {text{O}}_{ {text{Qtz}}{-} ( {text{H}}_{2} {text{O}} )_{text{n}}} = 36.05{permil}), (Delta^{66/64} {text{Zn}}_{ {text{Zn}} {-} {text{Al LDH-Zn}} ( {text{H}}_{2} {text{O}} )_{text{n}}^{2+}} = 1.12{permil}) and (Delta^{114/110} {text{Cd}}_{ {text{(Cd--Cal)-Cd}} ( {text{H}}_{2} {text{O}} )_ {text{n}}^{2 +} } = - 0.26{permil}) respectively. These results strongly support the reliability of the improved VVCM method for geometric optimization of molecular clusters.

只有完成分子簇的几何优化后,才能计算出同位素分馏因子和元素分配系数。优化直接影响到一些参数的准确性,如平均键长、分子体积、谐波振动频率等热力学参数。本文采用改进的体积变团簇模型(VVCM)方法对典型氧化物石英的分子团簇进行了优化。我们记录了平均键长和相对体积变化。最后,我们提取了谐振振动频率,并计算了硅氧同位素的平衡分馏因子。考虑到改进的VVCM方法在几何优化和同位素分馏因子计算方面的性能,我们进一步应用改进的VVCM方法计算了表面条件下氢氧化物(Zn - al层状双氢氧化物)、碳酸盐(含镉方解石)及其水溶液中Cd和Zn的同位素平衡分馏因子。我们总结了一个详细的过程,并用它重新评估了已发表的含镉羟基磷灰石的理论结果,强调了所有簇的相对体积变化,并确认了最佳点电荷排列(PCA)。结果表明,平均键长和同位素分馏因子与前人研究结果一致,相对体积变化明显小于周期边界法计算结果。石英的平均Si-O键长为1.63 Å,以硅原子为中心的石英的相对体积变化为−0.39%. The average Zn–O bond length in the Zn–Al-layered double hydroxide was 2.10 Å, with a relative volume change of 1.96%. Cadmium-containing calcite had an average Cd–O bond length of 2.28 Å, with a relative volume change of 0.45%. At 298 K, the equilibrium fractionation factors between quartz, Zn–Al-layered double hydroxide, cadmium-containing calcite, and their corresponding aqueous solutions were (Delta ^{30/28} {text{Si}}_{{{text{Qtz-H}}_{4} {text{SiO}}_{4} }} = 2.20{permil} ), (Delta^{18/16} {text{O}}_{ {text{Qtz}}{-} ( {text{H}}_{2} {text{O}} )_{text{n}}} = 36.05{permil}), (Delta^{66/64} {text{Zn}}_{ {text{Zn}} {-} {text{Al LDH-Zn}} ( {text{H}}_{2} {text{O}} )_{text{n}}^{2+}} = 1.12{permil}) and (Delta^{114/110} {text{Cd}}_{ {text{(Cd--Cal)-Cd}} ( {text{H}}_{2} {text{O}} )_ {text{n}}^{2 +} } = - 0.26{permil}) respectively. These results strongly support the reliability of the improved VVCM method for geometric optimization of molecular clusters.
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引用次数: 0
A single column separation method for barium isotope analysis of geologic and hydrologic materials with complex matrices 用于复杂基质地质和水文材料钡同位素分析的单柱分离法
IF 0.9 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2021-08-11 DOI: 10.1186/s12932-021-00077-z
R. M. Matecha, R. C. Capo, B. W. Stewart, R. L. Thompson, J. A. Hakala

The increasing significance of barium (Ba) in environmental and geologic research in recent years has led to interest in the application of the Ba isotopic composition as a tracer for natural materials with complex matrices. Most Ba isotope measurement techniques require separation of Ba from the rest of sample prior to analysis. This paper presents a method using readily available materials and disposable columns that effectively separates Ba from a range of geologic and hydrologic materials, including carbonate minerals, silicate rocks, barite, river water, and fluids with high total dissolved solids and organic content such as oil and gas brines, rapidly and without need for an additional cleanup column. The technique involves off-the-shelf columns and cation exchange resin and a two-reagent elution that uses 2.5 N HCl followed by addition of 2.0 N HNO3. We present data to show that major matrix elements from almost any natural material are separated from Ba in a single column pass, and that the method also effectively reduces or eliminates isobaric interferences from lanthanum and cerium.

近年来,钡(Ba)在环境和地质研究中的重要性与日俱增,这引起了人们对应用钡同位素组成作为具有复杂基质的天然材料示踪剂的兴趣。大多数钡同位素测量技术都要求在分析前将钡从样品的其他部分分离出来。本文介绍了一种使用现成材料和一次性色谱柱的方法,该方法能有效地将 Ba 从一系列地质和水文材料中分离出来,包括碳酸盐矿物、硅酸盐岩、重晶石、河水以及总溶解固体和有机物含量较高的流体(如油气盐水),分离速度快,无需额外的净化色谱柱。该技术采用现成的色谱柱和阳离子交换树脂,并使用 2.5 N HCl 和 2.0 N HNO3 两种试剂进行洗脱。我们提供的数据表明,几乎所有天然材料中的主要基体元素都能在一次色谱柱分离中与钡分离,而且该方法还能有效减少或消除镧和铈的等离干扰。
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引用次数: 0
A density functional theory study of Fe(II)/Fe(III) distribution in single layer green rust: a cluster approach 单层绿锈中Fe(II)/Fe(III)分布的密度泛函理论研究:集群方法
IF 2.3 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2021-06-11 DOI: 10.1186/s12932-021-00076-0
Weichao Sun, Dominique J. Tobler, Martin P. Andersson

Green rust (GR) is a potentially important compound for the reduction of heavy metal and organic pollutants in subsurface environment because of its high Fe(II) content, but many details of the actual reaction mechanism are lacking. The reductive capacity distribution within GR is a key to understand how and where the redox reaction occurs and computational chemistry can provide more details about the electronic properties of green rust. We constructed three sizes of cluster models of single layer GR (i.e., without interlayer molecules or ions) and calculated the charge distribution of these structures using density functional theory. We found that the Fe(II) and Fe(III) are distributed unevenly in the single layer GR. Within a certain range of Fe(II)/Fe(III) ratios, the outer iron atoms behave more like Fe(III) and the inner iron atoms behave more like Fe(II). These findings indicate that the interior of GR is more reductive than the outer parts and will provide new information to understand the GR redox interactions.

绿锈(GR)因其高铁(Fe(II))含量而成为潜在的还原地下环境中重金属和有机污染物的重要化合物,但其实际反应机理尚缺乏详细的研究。GR内的还原容量分布是了解氧化还原反应发生的方式和位置的关键,计算化学可以提供更多关于绿锈电子特性的细节。我们构建了三种大小的单层GR簇模型(即没有层间分子或离子),并利用密度泛函理论计算了这些结构的电荷分布。我们发现Fe(II)和Fe(III)在单层GR中分布不均匀,在一定的Fe(II)/Fe(III)比值范围内,外层铁原子的行为更像Fe(III),而内部铁原子的行为更像Fe(II)。这些发现表明GR的内部比外部更具有还原性,并将为理解GR的氧化还原相互作用提供新的信息。
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引用次数: 2
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Geochemical Transactions
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