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Record W2913550427 · doi:10.1038/s41467-019-08758-1

Siderophore-inspired chelator hijacks uranium from aqueous medium

2019· article· en· W2913550427 on OpenAlexfundno aff
Alexander S. Ivanov, Bernard F. Parker, Zhicheng Zhang, Briana Aguila, Qi Sun, Shengqian Ma, Santa Jansone‐Popova, John Arnold, Richard T. Mayes, Sheng Dai, Vyacheslav S. Bryantsev, Linfeng Rao, Ilja Popovs

Bibliographic record

VenueNature Communications · 2019
Typearticle
Languageen
FieldChemistry
TopicRadioactive element chemistry and processing
Canadian institutionsnot available
FundersLawrence Berkeley National LaboratoryOffice of ScienceOak Ridge National LaboratoryCanadian Foundation for Dietetic ResearchBasic Energy SciencesBattelleOffice of Nuclear EnergyNational Energy Research Scientific Computing CenterUT-BattelleU.S. Department of EnergyUniversity of TampaChemical Sciences, Geosciences, and Biosciences Division
KeywordsUranylSiderophoreUraniumChemistryCombinatorial chemistrySupramolecular chemistryChelationSelectivityMetal ions in aqueous solutionMoleculeAqueous solutionMetalIonInorganic chemistryOrganic chemistryMaterials scienceBiochemistry

Abstract

fetched live from OpenAlex

Abstract Over millennia, nature has evolved an ability to selectively recognize and sequester specific metal ions by employing a wide variety of supramolecular chelators. Iron-specific molecular carriers—siderophores—are noteworthy for their structural elegance, while exhibiting some of the strongest and most selective binding towards a specific metal ion. Development of simple uranyl (UO22+) recognition motifs possessing siderophore-like selectivity, however, presents a challenge. Herein we report a comprehensive theoretical, crystallographic and spectroscopic studies on the UO22+ binding with a non-toxic siderophore-inspired chelator, 2,6-bis[hydroxy(methyl)amino]-4-morpholino-1,3,5-triazine (H2BHT). The optimal pKa values and structural preorganization endow H2BHT with one of the highest uranyl binding affinity and selectivity among molecular chelators. The results of small-molecule standards are validated by a proof-of-principle development of the H2BHT-functionalized polymeric adsorbent material that affords high uranium uptake capacity even in the presence of competing vanadium (V) ions in aqueous medium.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.001
Threshold uncertainty score0.003

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.013
GPT teacher head0.273
Teacher spread0.261 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations124
Published2019
Admission routes1
Has abstractyes

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Same venueNature CommunicationsSame topicRadioactive element chemistry and processingFrench-language works237,207