Metrics
1 Download
Share Dataset

Share this dataset on your favorite social media networks.

Voltammetric, UV-Vis and PCA/PLS-DA data on Ni(II)-His2 complexes for anion sensing

Version 1.0

Tobolska, Aleksandra; Goluch, Aleksandra; Ciosek-Skibińska, Patrycja; Głowacz, Klaudia; Wezynfeld, Nina E.; Wróblewski, Wojciech, 2025, "Voltammetric, UV-Vis and PCA/PLS-DA data on Ni(II)-His2 complexes for anion sensing", https://doi.org/10.18150/1HCLSI, RepOD, V1

Learn about Data Citation Standards.

Description

This dataset comprises electrochemical, spectroscopic, and chemometric data related to Ni(II) complexes formed with a library of His2 peptides - sequences featuring a histidine residue in the second position, facilitating effective metal ion coordination. The included voltammetric (DPV) data capture the redox responses of these complexes to biologically relevant anions such as chloride, sulfate, acetate, lactate, and phosphate. UV-vis spectra recorded at physiological pH (7.4) characterize the coordination environment of the complexes. Principal Component Analysis (PCA) models enable the differentiation of anions and peptide sequences based on electrochemical fingerprints. Additional PCA and PLS-DA models support the classification of simulated blood plasma samples with varying concentrations of lactate and phosphate, mimicking physiological and pathological conditions. The dataset supports the development and evaluation of metal–peptide-based sensing platforms for bioanalytical applications. Data (.csv, .txt) includes:

*DPV curves of binary Ni(II)-His2 peptide complexes (raw data)

*UV-vis spectra of Ni(II)-His2 peptide complexes at pH 7.4

*PCA models for anions recognition by Ni(II)-His2 peptide complexes

*PCA and PLS-DA models for recognition of physiological and pathological simulated blood plasma samples by Ni(II)-RHR complex


Subject
Chemistry
Keyword

metal ion-peptide complexes, molecular receptors, anion recognition, electrochemical fingerprints, principal component analysis, simulated blood plasma

Related Publication

A. Tobolska, A. Goluch, P. Ciosek-Skibińska, K. Głowacz, N.E. Wezynfeld, W. Wróblewski, Ni(II) complexes of His2 peptides as multi-responsive electrochemical probes for anion sensing, Talanta, Volume 291, 2025, 127799, https://doi.org/10.1016/j.talanta.2025.127799. https://doi.org/10.1016/j.talanta.2025.127799 doi: 10.1016/j.talanta.2025.127799

CC0 Creative Commons Zero 1.0 CC0 Creative Commons Zero 1.0

Find
1 to 6 of 6 Files
DPV_Ni-His2_raw_data.zip
ZIP Archive - 51.2 KB - Jul 8, 2025 - 0 Downloads
MD5: ffa8faee11e06aa7d2a2a4ee1e7dc63b
License: CC0 Creative Commons Zero 1.0
The dataset contains multiple folders, each named after the amino acid sequence of a His2 peptide. Each folder includes three raw data files corresponding to voltammetric measurements recorded for the Ni(II) complex of the given peptide. The files represent three independent experimental replicates. This dataset includes a README.txt file with detailed information on data structure, file contents, experimental conditions, and variable descriptions.
Download
UV-vis_Ni-His2_Arg1.tab
Tabular Data - Original format: MS Excel (XLSX) - 18.8 KB - Jul 8, 2025 - 0 Downloads
License: CC0 Creative Commons Zero 1.0
3 Variables, 751 Observations - UNF:6:Iy0DqDW1PLi3NLTYMzcG+Q==
UV-vis spectra for Ni-RHG and Ni-RHR complexes at pH 7.4. UV-vis spectra were recorded at room temperature on a Cary 60 spectrophotometer (Agilent) over a spectral range of 250–1000 nm, using a 1 cm-path quartz cuvette (Helma).
Preview
UV-vis_Ni-His2_Asp1_Gly1.tab
Tabular Data - Original format: MS Excel (XLSX) - 42.0 KB - Jul 8, 2025 - 1 Download
License: CC0 Creative Commons Zero 1.0
7 Variables, 751 Observations - UNF:6:mWa5y+814AufRXiXEPXoFA==
UV-vis spectra for Ni-DHD, Ni-DHG, Ni-DHR, Ni-GHD, Ni-GHG, and Ni-GHR complexes at pH 7.4. UV-vis spectra were recorded at room temperature on a Cary 60 spectrophotometer (Agilent) over a spectral range of 250–1000 nm, using a 1 cm-path quartz cuvette (Helma).
Preview
PCA_Ni-His2_Cu-RHR_anions.zip
ZIP Archive - 246.3 KB - Jul 8, 2025 - 0 Downloads
MD5: c52eb6586f397dd5339ce2ace1bb3cfe
License: CC0 Creative Commons Zero 1.0
This dataset contains Principal Component Analysis (PCA) results for the electrochemical data of Ni(II)-His2 and Cu-RHR complexes recorded with various biologically relevant anions (chloride, sulfate, acetate, lactate, phosphate). For each complex, two Excel files are provided: one containing PCA scores and one containing loadings (contributions of the original electrochemical variables to the principal components). Each file is labeled with the peptide sequence and content type (e.g., PCA_scores_Ni-DHD_anions.xlsx, PCA_loadings_Ni-DHD_anions.xlsx).
Download
PCA_SBP_anions_Ni-RHR_data.zip
ZIP Archive - 45.7 KB - Jul 8, 2025 - 0 Downloads
MD5: 91f2acc36456dce98e8de20fb8cc0c54
License: CC0 Creative Commons Zero 1.0
This dataset contains Principal Component Analysis (PCA) results derived from voltammetric measurements of the Ni(II)-RHR peptide complex in the presence of simulated blood plasma samples. The samples were designed to reflect either physiological or pathological plasma conditions, with differences in anion (HL -high lactate, HP - high phosphate, HPL - high phosphate and lactate) concentrations. The dataset includes three Excel files: one with a data matrix, one with PCA scores (sample projections in the PC1–PC2 space, labeled as HL, HP, HPL), and one with PCA loadings (electrochemical variable contributions to PC1 and PC2).
Download
PLSDAmodel_SBP_anions_Ni-RHR.tab
Tabular Data - Original format: MS Excel (XLSX) - 1.2 KB - Jul 8, 2025 - 0 Downloads
License: CC0 Creative Commons Zero 1.0
5 Variables, 20 Observations - UNF:6:ylwtfyEjJqF9mlafiGKSvg==
This dataset contains Partial Least Squares Discriminant Analysis (PLS-DA) results obtained from voltammetric data recorded for the Ni(II)-RHR peptide complex in the presence of simulated blood plasma samples. Three sample classes were included: HL – high lactate concentration, HP – high phosphate concentration, HPL – both high lactate and phosphate concentrations. The dataset includes an Excel file containing PLS-DA scores (coordinates of each sample in latent variable space).
Preview
Select File(s)

Please select a file or files to be deleted.

Delete Files

The file(s) will be deleted after you click on the Delete button.

Files will not be removed from previously published versions of the dataset.

Select File(s)

Please select a file or files to be edited.

Select File(s)

Please select a file or files to be edited.

Select File(s)

Please select a file or files to be edited.

Edit license

For selected file(s) set a license to

Select File(s)

Please select a file or files to be downloaded.

Select File(s)

Please select a file or files for access request.

Select File(s)

Please select restricted file(s) to be unrestricted.

Request Access

  You need to Log In/Sign Up to request access to this file.

Continue
Dataset Terms

Please confirm and/or complete the information needed below in order to continue.

Asterisks indicate required fields

Request Access

Access to file(s) subject to additional consent under following conditions:

Accept
Package File Download
Restricted Files Selected

The restricted file(s) selected may not be downloaded because you have not been granted access.

Restricted Files Selected

The restricted file(s) selected may not be downloaded because you have not been granted access.

Click Continue to download the files you have access to download.

Delete Dataset

Are you sure you want to delete this dataset and all of its files? You cannot undelete this dataset.

Embargo

Embargo

Are you sure you want to lift the embargo?

Once you lift the embargo, you will not be able to set it again.

Delete Draft Version

Are you sure you want to delete this draft version? Files will be reverted to the most recently published version. You cannot undelete this draft.

Dataset Private URL

Use a Private URL to allow those without Dataverse accounts to access your dataset. For more information about the Private URL feature, please refer to the User Guide.

Private URL has not been created.

Dataset Private URL

Are you sure you want to disable the Private URL? If you have shared the Private URL with others they will no longer be able to use it to access your dataset.

Submit for Review

You will not be able to make changes to this dataset while it is in review.

Submit
Publish Dataset

This dataset cannot be published until RepOD is published. Would you like to publish both right now?

Once you publish this dataset it must remain published.

Publish Dataset

Are you sure you want to republish this dataset?

Select if this is a minor or major version update.

Publish Dataset

This dataset cannot be published until RepOD is published by its administrator.

Publish Dataset

This dataset cannot be published until RepOD and are published.

Return for modification


Send a copy of this message to the return e-mail address.
OK
Deaccession Dataset

Are you sure you want to deaccession? The selected version(s) will no longer be viewable by the public.