Assessing arsenic species in foods using regularized linear regression of the arsenic K-edge X-ray absorption near edge structure

Jahrman, Evan P.; Yu, Lee L.; Krekelberg, William P.; Sheen, David A.; Allison, Thomas C.; Molloy, John L.

doi:10.1039/d1ja00445j

Cited by 9 publications

(13 citation statements)

References 49 publications

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“…The size of the reference library is well known to be a nontrivial issue in linear combination fitting (LCF), or any other method of inference, when working with XANES data. 27 Specifically, as the number of spectra in the reference library increases, the relative linear independence of the ensemble of spectra almost always decreases; often, the decrease is dramatic. This poses a core dilemma – if the spectra in the reference library have only weak linear independence, then any LCF fit results will be highly degenerate as there will be multiple solutions with almost identical goodness of fit parameters.…”

Section: Resultsmentioning

confidence: 99%

Accelerating nano-XANES imaging via feature selection

Tetef,

Pattammattel,

Chu

et al. 2024

Digital Discovery

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Section: Resultsmentioning

confidence: 99%

Accelerating nano-XANES imaging via feature selection

Tetef,

Pattammattel,

Chu

et al. 2024

Digital Discovery

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“…The spectra obtained for MeAs(LHP) and PhAs(LHP) also exhibited the characteristic post-edge trough associated with S-bound As(III) complexes (Figure ). − This trough was not as prominent in the spectrum of HyAs(LHP), perhaps due to the presence of the O atom bound to the As atom. Single scattering analysis of the extended X-ray absorption fine structure (EXAFS) data for the solid As-peptide complexes, HyAs(LHP) (Table S4), MeAs(LHP) (Table S5), or PhAs(LHP) (Table S6), indicated that each complex contained an As(III) atom, typically coordinated to three donor atoms in a trigonal planar or trigonal pyramidal manner.…”

Section: Resultsmentioning

confidence: 99%

Optimizing Arsenic Therapy by Selectively Targeting Leukemia Cells

Carrall,

Lie,

Lambert

et al. 2023

J. Med. Chem.

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Arsenic, in the simple form of arsenic trioxide, is currently marketed for the treatment of acute promyelocytic leukemia. Due to the multifaceted mechanisms of action of arsenic, it has also shown promise in other types of leukemias but is hindered by its toxic effects toward normal cells. This research has aimed to determine whether tumor-homing peptide complexes of arsenic can be designed and developed to strategically target specific cancers. The end goal is to achieve dose reduction and decreased side effects of the resultant arsenic therapeutic agent. In this article, we present the synthesis, characterization, and stability studies of a new class of As-peptide complexes designed to target leukemia. In vitro biological studies of the most stable complex show 1000 times greater toxicity toward leukemia cells over human blood cells, indicating potential for progression to in vivo studies.

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“…Other organoarsenic species, such as arsenobetaine and choline, also show close white line peak energy values but published spectra differ in overall shapes, as discussed in the next sections. Published examples of As(V) organic compounds like methylarsonate, dimethylarsinate and trimethylarsine oxide (MMA(V), DMA(V) and TMAO respectively) show similar shapes, with a high intensity peak followed by a linear behavior between 11,875 and 11,900 eV, and maximum energy peaks that may contribute together to the observed wide peak measured in the mat (Jahrman et al, 2022;Smith et al, 2005). Arsenic mapping at 11,868 eV (representative of As(III)) and 11,873 eV (representative of As(V)) generally shows similar features dominated by As(V) species (Figure S7 in Supporting Information S1).…”

Section: Elemental Distribution and Local Chemical Enrichmentmentioning

confidence: 99%

Combined Genomic and Imaging Techniques Show Intense Arsenic Enrichment Caused by Detoxification in a Microbial Mat of the Dead Sea Shore

Thomas,

Filella,

Ionescu

et al. 2024

Geochem Geophys Geosyst

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Microbial mats and microbialites are essential tools for reconstructing early life and its environments. To better understand microbial trace element cycling, a microbial mat was collected from the sinkhole systems of the western shores of the Dead Sea, a dynamic environment exhibiting diverse extreme environments. Intense arsenic enrichment was measured (up to 6.5 million times higher than current concentrations in water, and 400 times the bulk concentration in the mat). Arsenic was found predominantly as As(V) in organic molecules, as shown by XANES spectra and high‐resolution elemental mapping. Arsenic cycling genes obtained from metagenomic analysis were associated with arsenic detoxification, supporting an active mechanism of As(V) uptake, As(III) efflux and organoarsenic accumulation in the extracellular polymeric substances (EPS) of the mat. Thus, we propose that such localized As enrichment can be attributed to a transient increase in As(V) concentrations in the circulating subsurface water of the Dead Sea shore and its subsequent incorporation into organoarsenic molecules through microbial detoxification processes. Our data set supports the possibility of metalloid enrichment recorded in very localized facies due to rapid geogenic fluctuations in the chemistry of the water flowing over a biofilm. In this context, this example calls for caution in interpreting metal(loid) enrichment in organic matter‐rich layers and microbialites of Paleoproterozoic origin. Arsenic signatures in Precambrian organic matter and carbonate rocks may host biosignatures, including evidence for extracellular polymeric substances, As‐binding and detoxification processes, without supporting arsenotrophy. However, they provide clues to better assess the paleoenvironmental conditions at the time of microbial mat formation.

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Assessing arsenic species in foods using regularized linear regression of the arsenic K-edge X-ray absorption near edge structure

Abstract: Solvent-free quantifications of arsenic species in foods are attained by applying lasso regression to the analysis of X-ray absorption spectra and assigning uncertainties by bootstrapping.

Cited by 9 publications

References 49 publications

Accelerating nano-XANES imaging via feature selection

Accelerating nano-XANES imaging via feature selection

Optimizing Arsenic Therapy by Selectively Targeting Leukemia Cells

Combined Genomic and Imaging Techniques Show Intense Arsenic Enrichment Caused by Detoxification in a Microbial Mat of the Dead Sea Shore

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