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University of Bialystok

(Uniwersytet w Białymstoku)

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Instrumental data for the determination of stability constants and physicochemical properties of Ga(III)–8-HQA complexes

Version 1.0

Ryza, Izabela; Granata, Claudia; Ribeiro, Nadia; Nalewajko-Sieliwoniuk, Edyta; Kießling, Andreas; Hryniewicka, Marta; Plass, Winfried; Godlewska-Żyłkiewicz, Beata; Cabo Verde, Sandra; Milea, Demetrio; Gama, Sofia, 2026, "Instrumental data for the determination of stability constants and physicochemical properties of Ga(III)–8-HQA complexes", https://doi.org/10.18150/ZUYXPV, RepOD, V1

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Description

The dataset contains data generated from instrumental analysis of Ga(III) complexes with 8-HQA, i.e. raw data from the potentiometric and spectrophotometric titrations, spreadsheets with required calculations, spreadsheets with the conditions of the experiments, graphs and text files prepared for the determination of stability constants of the investigated complexes. The research was conducted as part of the grant project.

Project context:

This project aimed to investigate the coordination properties of selected tryptophan metabolites (TrpM) towards biologically relevant metal ions and to evaluate the impact of their metal complex formation on biological systems. The study integrated chemical speciation, thermodynamic analysis, synthesis and characterization of metal complexes, and biological evaluation in cellular and bacterial models.

The project involved: (i) determination of acid–base and metal-binding properties of TrpM in solution; (ii) synthesis and structural characterization of the corresponding metal complexes; (iii) evaluation of their stability and interactions in biological media; (iv) in vitro assessment of cytotoxicity and cellular uptake in representative human cell lines; (v) investigation of antimicrobial activity and effects on gut microbiota; and (vi) interpretation of biological activity through chemical modeling and speciation analysis.

The project integrated coordination chemistry with in vitro biological evaluation to correlate metal complex formation with anticancer and antibacterial effects. The results are expected to contribute to a better understanding of metal-dependent biological mechanisms and support the development of new therapeutic strategies.

The presented dataset contains 61 files of different formats. Files can be opened in Hyperquad2013, PyES, in any spreadsheet program (e.g. Excel) and in any program that opens .jpg or .tif. The data was collected between October 2022 and March 2024 at research institutions located in Białystok, Poland; Jena, Germany; Lisbon, Portugal; and Messina, Italy. The creators of the files presented in this dataset were: Izabela Ryza, Claudia Granata, Nadia Ribeiro, Edyta Nalewajko-Sieliwoniuk, Andreas Kießling, Marta Hryniewicka, Sandra Cabo Verde, Demetrio Milea, and Sofia Gama.

The research was conducted as part of the grant project, which was led by prof. dr hab. Beata Godlewska-Żyłkiewicz. The project was funded by the National Science Centre, Poland (NCN) under the OPUS grant, no. 2020/39/B/ST4/03060.

Detailed characteristics of the file structure, data formats, and contents of individual folders can be found in the README.txt file included with the collection.

Dataset authors: Izabela Ryza and Simona Zdancewicz created and organised the files within the dataset.

(2026-02-20)

Subject

Chemistry

Keyword

stability constants, gallium(III) complexes, human microbiota, anti-inflammatory action, ionizing radiation

Related Publication

I. Ryza, C. Granata, N. Ribeiro, E. Nalewajko-Sieliwoniuk, A. Kießling, M. Hryniewicka, W. Plass, B. Godlewska-Żyłkiewicz, S. Cabo Verde, D. Milea, S. Gama, (2024), Ga complexes of 8-hydroxyquinoline-2-carboxylic acid: Chemical speciation and biological activity, Journal of Inorganic Biochemistry, 260, 112670, https://doi.org/10.1016/j.jinorgbio.2024.112670 https://doi.org/10.1016/j.jinorgbio.2024.112670 doi: 10.1016/j.jinorgbio.2024.112670

License

CC BY - Creative Commons Attribution 4.0

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1 to 10 of 61 Files

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			Original Format Archival Format (.tab)
		readme.txt Plain Text - 17.7 KB - Feb 26, 2026 - 0 Downloads MD5: 0537664059a9e27f7bc265ecd8822cfc License: CC BY - Creative Commons Attribution 4.0 Readme file containing information and description of all the files in the presented dataset.	Preview Download
		01_Hydrolysis_GAOH25C.OK Plain Text - 48.0 KB - Feb 26, 2026 - 0 Downloads MD5: 816ef6b6465b5f8710227a4eff4a51d0 License: CC BY - Creative Commons Attribution 4.0 This file contains refined values of Ga(III) hydroxospecies stability constants, in KCl at I = 0.2 mol dm-3 and T = 298.15 K. This data was used to prepare Table 1 in the linked publication.	Preview Download
		02_gatot_mis.mis Plain Text - 43.6 KB - Feb 26, 2026 - 0 Downloads MD5: 13c86507fc9d047eb652127529f549c9 License: CC BY - Creative Commons Attribution 4.0 his is an input file, prepared for BSTAC programbased on the data obtained from potentiometric titrations, used to determine stability constants of Ga(III) and Fe(III) with 8-HQA and EDTA, in KCl at I = 0.2 mol dm-3 and T = 298.15 K.	Preview Download
		03_gatot_o.o23 Plain Text - 192.6 KB - Feb 26, 2026 - 0 Downloads MD5: 8ec302bcb100dd46214cedb4439c8a45 License: CC BY - Creative Commons Attribution 4.0 This is an output file from the BSTAC program, it contains calculated values of stability constants of Ga(III) and Fe(III) with 8-HQA and EDTA, in KCl at I = 0.2 mol dm-3 and T = 298.15 K. This data was used to prepare Table 2 and Fig. 1 in the linked publication.	Preview Download
		04_FeLinpH_ok.HQD Unknown - 1.8 MB - Feb 26, 2026 - 0 Downloads MD5: e427f3c62c75ecb139cd1d9d373b5f41 License: CC BY - Creative Commons Attribution 4.0 This is an output file from the HypSpec software, containing refined values of stability constants of Fe(III) and 8-HQA complexes, in KCl at I = 0.2 mol dm-3 and T = 298.15 K.	Preview Download
		05_H_HQA_OK.HQD Unknown - 1.3 MB - Feb 26, 2026 - 0 Downloads MD5: bbc2df7c78336ba0eae8c1dbda6722aa License: CC BY - Creative Commons Attribution 4.0 This is an output file from the HypSpec software, containing refined values of ptoronation constants of 8-HQA, in KCl at I = 0.2 mol dm-3 and T = 298.15 K.	Preview Download
		06_8HQA_Ga_OK.HQD Unknown - 1.9 MB - Feb 26, 2026 - 0 Downloads MD5: 63fd8c1dbd29f33d7803346426b6e7b1 License: CC BY - Creative Commons Attribution 4.0 This is an output file from the HypSpec software, containing refined values of stability constants of Ga(III) and 8-HQA complexes, in KCl at I = 0.2 mol dm-3 and T = 298.15 K.	Preview Download
		07_8HQA_Ga_Fe_ok.HQD Unknown - 1.5 MB - Feb 26, 2026 - 0 Downloads MD5: 073125a445ad6f1dee0e7e34a3e43027 License: CC BY - Creative Commons Attribution 4.0 This is an output file from the HypSpec software, containing refined values of stability constants of Ga(III) and Fe(III) with 8-HQA, in KCl at I = 0.2 mol dm-3 and T = 298.15 K.	Preview Download
		08_conditions.tab Tabular Data - Original format: Comma Separated Values - 77 B - Feb 26, 2026 - 1 Download License: CC BY - Creative Commons Attribution 4.0 9 Variables, 1 Observations - UNF:6:+R0Uu0u0U+iX2w75qQHwKA== This file contains conditions of the performed measurement (moles of each component, volume of added titrant, starting potential value).	Preview Original File Format (Comma Separated Values) Tab-Delimited RData Format Variable Metadata Data File Citation RIS EndNote XML BibTeX
		08_epsGaL.txt Plain Text - 12.5 KB - Feb 26, 2026 - 0 Downloads MD5: 39b8477dd3175ff64250725b707d833e License: CC BY - Creative Commons Attribution 4.0 This file contains calculated molar absorbances for Ga-8HQA species, obtained from the HypSpec software.	Preview Download

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