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Record W4396799543 · doi:10.1107/s2053273323083924

Supramolecular C—H...π and C—H...O interactions in a new synthon relevant to malaria pigment model systems

2023· article· en· W4396799543 on OpenAlex
Jeffrey W. Haller, Saifon A. Kohnhorst, Kenneth J. Haller

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueActa Crystallographica Section A Foundations and Advances · 2023
Typearticle
Languageen
FieldEngineering
TopicDyeing and Modifying Textile Fibers
Canadian institutionsAssociation of Canadian Archivists
Fundersnot available
KeywordsSynthonSupramolecular chemistryPigmentMalariaStereochemistryChemistryCombinatorial chemistryBiologyCrystal structureOrganic chemistryImmunology

Abstract

fetched live from OpenAlex

Metalloporphyrin complexes occur in many biochemical systems prompting considerable study of perhaps none more so than the heme model systems.Previous work from our group has presented analysis of structures and solid state resonance Raman spectra of a group of 5 supramolecular interactions play an integral role in the resonant Raman excitonic enhancement observed when applying near infrared excitation wavelengths in -hematin compared to the other model systems was attributed to the O a strategy to improve the OEP model systems was to use axial ligands containing a number of O carboxylate groups.A better malaria pigment model complex, (picrato)(OEP)Fe(III), has been prepared and reported [2].Two additional similar O model compounds of malaria pigment: (2 (OEP)Fe(III).Our analysis of these structures revealed the expected abundance of C C-H are six a addition there are six intermolecular C interaction intermolecular C This establishing this intriguing motif as another new supramolecular synthon.This synthon, together with the 3 dominated by may help explain the similarity of the resonant Raman excitonic enhancement noted previously for model system Figure

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.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.330
Threshold uncertainty score0.657

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.017
GPT teacher head0.262
Teacher spread0.245 · 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