Dataset For Assessing Microcentrifugal Filter Reusability Using ATR-FTIR Spectroscopy of Human Pooled Serum

__________ Dataset For Assessing Microcentrifugal Filter Reusability Using ATR-FTIR Spectroscopy__________ Last updated: 2025-10-06DOI: 10.5281/zenodo.17273968 ______Contact______* Jan Valis* [e-mail]* [phone]* ORCID: 0000-0003-0349-6868* Dept. of Analytical Chemistry, Faculty of Chemical Engineering, University of chemistry and Technology, Prague* Technicka 5, 166 28, Prague 6, Czech Republic ______Licence______* Dataset For Assessing Microcentrifugal Filter Reusability Using ATR-FTIR Spectroscopy, 2025 by Vasilisa Kostromina and Jan Valis is licensed under CC BY 4.0* Licence information: https://creativecommons.org/licenses/by/4.0/------------------------------------------------------------------------------------------------ ______About the dataset______The Fourier Transformed Infrared spectroscopy (FT-IR) is an analytical technique requiring little to no sample preparation that has shown great potential for diagnosis of biofluids like human serum.However, human serum contains high molecular structures that contribute little to the diagnostics but significantly impact the spectral profile. To mitigate this, single-use microcentrifugal filters are often utilised. However, for economic and environmental reasons, these filters are commonly reused several times. So far, no study has investigated, if such a practice is actually feasible. For this reason, we first used two sets of 100 kDa filters over 4 times to filter a sample of human pooled serum. Then, each filtrate was measured 9 times using FT-IR spectrometer. ______Methods of data collection______* Sample preparationBiforefiltration, microcentrigugal filters (Amicon, SigmaAldrich, USA) were washed with NaOH (0.1M), and then 3x with distilled water. Every time at 14 kG for 30 min, then turned upside down in the Eppedorf tube and centrifuged for 2 min at 1 kG.All samples of the human pooled serum were then separated using the above described microcentrigugal filters at 14 kG for 30 min. The filter were then washed as described above before the next separation. The four centrifugations (3x wash + 1x filtrate) are considered one cycle for the purpose of this dataset. The samples were then stored at -80 °C and thawed before spectroscopic measurements. * FT-IR spectra measurement: ** HW: FT-IR spectrometer iS50 with diamond ATR crystal, KBr beamsplitter and DTGS detector (ThermoFisher, USA) was used. ** Acquisition parameters: 256 scans, 2 cm^-1 resolution ** Process: small volume (ca 5 ul) of the filtrate was deposited on the ATR crystal and was let dry. After ca 30 min, first spectrum was collected, followed by two more measurements. ** Spectral correction: background was measured and automatically subtracted, resulting in suppression of CO2 and water vapour bands. ** Quality control: The interferometer is internally calibrated and the spectrometer passed all automated QC checks (e.g. source and detector voltage and He-Ne laser calibration) ** Quality assurance: All spectra were measured 3x and compared. If the first spectrum varied due to different level of moisture, fourth spectrum was collected. ______Methods of data processing______The dataset contains only raw data, therefore no processing is described. ------------------------------------------------------------------------------------------------ ______File name structure_____* ATR-CrystalNumber_CycleNumber_RepetitionLetter_FilterkDa_YYMMDD_HHMM ** Crystal Type: Diamond ** Crystal Number (1 to 3) ** Cycle Number: how many cycles has the filter been used (1 to 4) ** RepetitionLetter: which set of filter has been used (A or B) ** FilterkDa: molecular weight of the cut-off edge (F=full serum; 100 kDa; 50 kDa; 30 kDa; 10 kDa) * e.g.: ATR-Diamond3_1_A_100kDa_250909_0934 ______File formats______* Measurement metadata - converted from XSLX to CSV * FT-IR spectra - converted from SPC to CSV ** Horizontal axis - Wavenumber (cm^-1) ** Vertical axis - Absorbance (-) * Text documents - converted from DOCX to PDF ______Date formats______* YYYY-MM-DD* HH-MM-SS 24hr format ______Units and abbreviations______* All FTIR spectra ae in Wavenumber (cm^-1) vs Absorbance (-) ------------------------------------------------------------------------------------------------______List of files______* Project abstract001_Abstract_20251009.pdf * ATR-FTIR spectra(in ZIP folder 002_ATR-FTIR_20251009.zip)