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Record W4416674633 · doi:10.1021/acs.inorgchem.5c04969

Chiral Self-Assembly of Zinc and Magnesium Porphyrins with Enantiopure Cyclohexanohemicucurbiturils in Solution and in Solid State

2025· article· en· W4416674633 on OpenAlexaff
Marko Šakarašvili, Khai‐Nghi Truong, Lukáš Ustrnul, Nele Konrad, Kristjan Siilak, Tatsiana Burankova, Reiko Kuroda, Mathias O. Senge, Victor Borovkov, Jas S. Ward, Kari Rissanen, Riina Aav

Bibliographic record

VenueInorganic Chemistry · 2025
Typearticle
Languageen
FieldMaterials Science
TopicPorphyrin and Phthalocyanine Chemistry
Canadian institutionsTrinity College
FundersHORIZON EUROPE European Innovation CouncilTechnische Universität MünchenH2020 Future and Emerging TechnologiesHaridus- ja TeadusministeeriumHorizon 2020 Framework ProgrammeEesti TeadusagentuurEuropean Commission
KeywordsSupramolecular chiralityCircular dichroismEnantiopure drugSupramolecular chemistryChirality (physics)PorphyrinNon-covalent interactionsvan der Waals force

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Chiral self-assembled supramolecular networks offer great potential for new chiral materials. We report the predictable self-assembly of metalloporphyrins with chiral cyclohexanohemicucurbit[ n ]urils (cycHC[6] and cycHC[8]), where cycHC[ n ] chirality is transferred to achiral porphyrins in solution and the solid state. Solvent and porphyrin substituents directed the formation of 31 novel complexes characterized by single-crystal X-ray diffraction. All complexes feature metal–urea coordination centers, with architectures ranging from discrete complexes to 1D, helical 1D, and 2D square-grid coordination polymers, governed by the shape and binding strength of cycHC[ n ]s. Noncovalent interaction analysis highlighted van der Waals interactions alongside metal–oxygen coordination. In solution, binding strengths ranged from 690 to 1,840,000 M –1, while electronic circular dichroism (ECD) g -factors remained consistent. Solid-state measurements revealed a 10-fold increase in induced ECD intensity in the Soret region, attributed to chiral aggregation and interporphyrin exciton coupling. Vibrational circular dichroism showed chirality induction in the infrared range, with the g -factor of cycHC[6] carbonyl signals increasing 10-fold upon complexation. These results demonstrate the robustness of hemicucurbituril–metalloporphyrin supramolecular systems for developing advanced chiral sensing materials.

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 score0.002

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)0.0000.000

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 head0.003
GPT teacher head0.213
Teacher spread0.209 · 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

Citations1
Published2025
Admission routes1
Has abstractyes

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