Evidence map›Paper›PMID 39941032›Full record

ArticleInternational journal of molecular sciences2025

A Combined Thermodynamic and Computational Study of Alkaline Earth Metal Cations Complexation by a Fluorescent Calix[4]arene Receptor.

Andrea Usenik, Matija Modrušan, Katarina Leko, Jakov Borovec, Sven Marinac, Lucija Hok, Nikola Cindro, Robert Vianello, Gordan Horvat, Josip Požar and 2 more

Abstract read
In one paragraph

Article in International journal of molecular sciences, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

  1. Review
  2. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

12 authors.

Andrea UsenikDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.ORCID 0000-0003-1995-8705
Matija ModrušanDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.ORCID 0009-0006-2608-6860
Katarina LekoDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.ORCID 0000-0003-0853-5053
Jakov BorovecDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.ORCID 0009-0005-2931-0381
Sven MarinacDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.
Lucija HokDivision of Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb, Croatia.ORCID 0000-0003-0731-1293
Nikola CindroDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.
Robert VianelloDivision of Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb, Croatia.ORCID 0000-0003-1779-4524
Gordan HorvatDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.ORCID 0000-0002-8726-8573
Josip PožarDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.
Tomica HrenarDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.ORCID 0000-0002-4570-0524
Vladislav TomišićDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.

Funding

Croatian Science Foundation IP-2019-04-9560, IP-2024-05-3012, IP-2022-10-9525
6 · The paper itself

Abstract

Complexation of alkaline earth metal cations with fluorescent tertiary-amide lower-rim calix[4]arene derivative bearing two phenanthridine moieties was studied experimentally (UV spectrophotometry, fluorimetry, isothermal microcalorimetry, NMR spectroscopy) and computationally (classical molecular dynamics and DFT calculations) at 25 °C. The complexation reactions were studied in acetonitrile, methanol, and ethanol, whereby the solvent effect on cation-binding processes was particularly addressed. The complex stability constants and standard reaction thermodynamic quantities (Gibbs energies, enthalpies, and entropies) were determined. The receptor exhibited particularly high affinity towards alkaline earth metal cations in acetonitrile, with peak affinity for Ca

Indexed as

CalixarenesCoordination ComplexesMetals, Alkaline EarthPhenolsCationsDensity Functional TheoryMolecular Dynamics SimulationThermodynamicscalix(4)areneCalixarenesCationsCoordination ComplexesMetals, Alkaline EarthPhenolsalkaline earth metal cationscalixarenesfluorescenceinclusionsolvent effectthermodynamics

Identifiers

PMID39941032
PMCPMC11818811

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.