Theory of error for target factor analysis with applications to mass spectrometry and nuclear magnetic resonance spectrometry

Malinowski, Edmund R.

doi:10.1016/s0003-2670(01)83099-3

Cited by 146 publications

(94 citation statements)

References 8 publications

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“…Synchrotron-based gXRD and EMPA analyses will complement the current observations to help resolve the formation mechanisms of these Fe-bearing phases. SPOIL function values less than 1.5 are considered excellent, 1.5-3 good, 3-4.5 fair and 4.5-6 poor (Malinowski, 1978). *Best reference spectra based on target transformations.…”

Section: Discussionmentioning

confidence: 99%

“…Target transformations were then performed on the same suite of spectrua used for PCA to evaluate the likelihood that a specific reference spectra exists as an end-member component, as indicated by the SPOIL parameter. SPOIL values less than 1.5 are considered excellent, 1.5-3 good, 3-4.5 fair and 4.5-6 poor (Malinowski, 1978).…”

Section: Micro X-ray Absorption Spectroscopy (Pxas)mentioning

confidence: 99%

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Geomicrobiology of the ocean crust: the phylogenetic diversity, abundance, and distribution of microbial communities inhabiting basalt and implications for rock alteration processes

Santelli¹

2007

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Basaltic ocean crust has the potential to host one of the largest endolithic communities on Earth. This portion of the biosphere, however, remains largely unexplored. In this study, we utilize molecular biological, microscopic, and geochemical tools to gain a better understanding of the geomicrobiology of the ocean crust. Specifically, we examine the phylogenetic diversity of microorganisms inhabiting basaltic lavas, the activities and abundances of these microorganisms, the spatial extent of the biosphere, and the potential effect that microbial activity has on the geochemistry of the ocean crust and overlying water column.Our study demonstrates that young, fresh volcanic lavas near mid-ocean ridges host an incredibly diverse and dense population of microorganisms dominated by Bacteria, quite distinct from the microbial communities found in surrounding deep seawater and hydrothermal vents. Furthermore, these communities may contribute to the elemental cycling of Fe, S, Mn, N, and C in this environment. The inability to definitively identify microorganisms in drill-cores of old (> 15 Ma) ocean crust, however, implies that these once prolific communities may become scarce as the crust ages and moves further away from the ridge axis. Finally, we provide evidence suggesting that these communities are fueled by oxidative alteration reactions occurring in the basaltic crust.

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Section: Discussionmentioning

confidence: 99%

Section: Micro X-ray Absorption Spectroscopy (Pxas)mentioning

confidence: 99%

Geomicrobiology of the ocean crust: the phylogenetic diversity, abundance, and distribution of microbial communities inhabiting basalt and implications for rock alteration processes

Santelli¹

2007

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“…A series of ten Fe-bearing reference compounds was measured. The selection of Fe references for linear combination fit (LCF) analysis was tested by principal component analysis and target transformation testing in the SIX-PACK code (Malinowski, 1978;Webb, 2005). As k-edge (11,867 eV) EXAFS spectra were collected with an energy range of − 200 to 1000 eV in fluorescence mode.…”

Section: Exafs Analysismentioning

confidence: 99%

Groundwater arsenic removal by coagulation using ferric(III) sulfate and polyferric sulfate: A comparative and mechanistic study

Cui

Jing

Che

et al. 2015

Journal of Environmental Sciences

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Elevated arsenic (As) in groundwater poses a great threat to human health. Coagulation using mono-and poly-Fe salts is becoming one of the most cost-effective processes for groundwater As removal. However, a limitation comes from insufficient understanding of the As removal mechanism from groundwater matrices in the coagulation process, which is critical for groundwater treatment and residual solid disposal. Here, we overcame this hurdle by utilizing microscopic techniques to explore molecular As surface complexes on the freshly formed Fe flocs and compared ferric(III) sulfate (FS) and polyferric sulfate (PFS) performance, and finally provided a practical solution in As-geogenic areas. FS and PFS exhibited a similar As removal efficiency in coagulation and coagulation/filtration in a two-bucket system using 5 mg/L Ca(ClO) 2 . By using the two-bucket system combining coagulation and sand filtration, 500 L of As-safe water (< 10 μg/L) was achieved during five treatment cycles by washing the sand layer after each cycle. Fe k-edge X-ray absorption near-edge structure (XANES) and As k-edge extended X-ray absorption fine structure (EXAFS) analysis of the solid residue indicated that As formed a bidentate binuclear complex on ferrihydrite, with no observation of scorodite or poorly-crystalline ferric arsenate. Such a stable surface complex is beneficial for As immobilization in the solid residue, as confirmed by the achievement of much lower leachate As (0.9 μg/L-0.487 mg/L) than the US EPA regulatory limit (5 mg/L). Finally, PFS is superior to FS because of its lower dose, much lower solid residue, and lower cost for As-safe drinking water.

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“…minerals and precipitates used in previous work (Jacquat et al , 2009a, including an additional reference spectrum of wurtzite (Beauchemin et al 2004). The empirical SPOIL value (Malinowski 1978) and the normalized sum of squared residuals (NSSR = (R i (E exp -E fit )…”

Section: Analysis Of Zn K-edge Xanes Datamentioning

confidence: 99%

“…Using the seven principal components from PCA and target transform testing (TT), potential reference spectra for LCF analysis were identified. The empirical SPOIL value (Malinowski 1978) and the NSSR of the respective target transforms (i.e., deviation between the experimental and the reconstructed spectra) were used to judge the suitability of the references. Results for selected reference spectra are provided in Table 3.…”

Section: Principal Component Analysis and Target Transform Testingmentioning

confidence: 99%

Origin of high Zn contents in Jurassic limestone of the Jura mountain range and the Burgundy: evidence from Zn speciation and distribution

et al. 2011

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In order to better understand the origin and enrichment mechanisms leading to elevated Zn concentrations in Jurassic limestone of the Jura mountain range (JMR) and the Burgundy (B), we investigated four locations of Bajocian age (JMR: Lausen-Schleifenberg, Gurnigel; B: Vergisson-Davayé, Lucy-le-Bois) and two locations of Oxfordian age (JMR: Dornach, Pichoux) for their Zn distribution and speciation. Measurements of the acid-extractable and bulk Zn contents showed that Zn is stratigraphically and spatially heterogeneously distributed, in association with permeable carbonate levels. Up to 3,580 and 207 mg/kg Zn was detected in Bajocian and Oxfordian limestone, respectively, with numerous limestone samples having Zn contents above 50 mg/kg. Using X-ray absorption near edge structure spectroscopy and micro-X-ray fluorescence spectrometry, the speciation and microscale distribution of Zn was investigated for selected limestone samples. In Bajocian limestone sphalerite and/or Zn-substituted goethite and a minor fraction of Zn-bearing carbonates were identified. In contrast, Zn-bearing carbonates (Zn-substituted calcite and hydrozincite) were accounting for most of the total Zn in Oxfordian limestone. The micro-scale distribution of Zn for Bajocian and Oxfordian limestone was however similar with localized Zn-rich zones in the limestone cement and at the rim of oolites. The stratigraphic sporadicity and microscale heterogeneity of the Zn distribution together with the Zn speciation results point to a hydrothermal origin of Zn. Occurence of Zn-goethite is probably linked to the oxidative transformation of framboidal pyrite and hydrothermal sphalerite in contact with meteoritic waters. Difference in speciation between Bajocian limestone and Oxfordian limestone may be related to differences in rock permeability Geosci (2011) 104:409-424 DOI 10.1007 and/or to various hydrothermal events. Isotopic dating of the different mineralizations will be needed to decipher differences in Zn speciation and the precise chronology of hydrothermal episodes.

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Theory of error for target factor analysis with applications to mass spectrometry and nuclear magnetic resonance spectrometry

Cited by 146 publications

References 8 publications

Geomicrobiology of the ocean crust: the phylogenetic diversity, abundance, and distribution of microbial communities inhabiting basalt and implications for rock alteration processes

Geomicrobiology of the ocean crust: the phylogenetic diversity, abundance, and distribution of microbial communities inhabiting basalt and implications for rock alteration processes

Groundwater arsenic removal by coagulation using ferric(III) sulfate and polyferric sulfate: A comparative and mechanistic study

Origin of high Zn contents in Jurassic limestone of the Jura mountain range and the Burgundy: evidence from Zn speciation and distribution

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