This dataset contains raw and processed DSC, FTIR, DLS, SAXS and AFM data associated with the publication entitled “Saponins induce lipid-dependent structural heterogeneity and modulate membrane organization in phospholipid bilayers”.
Differential Scanning Calorimetry (DSC)
DSC measurements were performed using a DSC-204 Phoenix differential scanning calorimeter (Netzsch, Selb, Germany) equipped with a high-sensitivity μ-sensor. Samples of 20 μL were sealed in aluminum crucibles. Measurements were carried out under a helium atmosphere with a gas flow rate of 40 mL/min and a heating rate of 1 °C/min. The investigated temperature range extended from 5 °C to an upper limit defined by the lipid system studied: 40 °C, 60 °C, 70 °C, and 80 °C for DMPC, DPPE, DMPE, and DPPC systems, respectively. An empty aluminum crucible was used as a reference.
The DSC thermograms were processed and analyzed using Proteus TA software (Netzsch, Selb, Germany) and PeakFit version 4.12 (Systat Software, San Jose, CA, USA).
Fourier Transform Infrared Spectroscopy (FTIR)
FTIR spectra were recorded using a Tensor 27 spectrometer (Bruker Optics, Ettlingen, Germany) equipped with a Platinum ATR attachment (diamond crystal, 45° angle). A 10 μL aliquot of sample was deposited onto the ATR crystal and incubated for 15 min prior to measurement. Measurements were performed under controlled conditions at room temperature.
Spectra were collected over the spectral range 4000–400 cm⁻¹ with a spectral resolution of 4 cm⁻¹, averaging 256 scans per spectrum. Spectral processing, including atmospheric compensation and baseline correction, was carried out using OPUS 7.5 software (Bruker Optics, Ettlingen, Germany). Band positions were determined from second-derivative spectra using PeakFit version 4.12.
Dynamic Light Scattering (DLS)
DLS measurements were performed using a Litesizer™ 500 particle analyzer (Anton Paar, Graz, Austria) equipped with a 658 nm diode laser operating at 40 mW. Prior to analysis, liposome dispersions were filtered through 0.1 μm membrane filters to remove dust particles and large aggregates. Samples were diluted 1000-fold with ultrapure water before measurements.
Measurements were carried out at 20 °C using disposable cuvettes. Hydrodynamic diameter and particle size distributions were analyzed using Kalliope Professional software version 3.2.5 (Anton Paar, Graz, Austria).
All data were extracted from the APKW file, which is the original Kalliope software of the Anton Paar Litesizer™ 500.
The DLS datasets are provided in text-based formats and contain intensity-, volume-, and number-weighted particle size distribution functions for all studied samples.
Small-Angle X-ray Scattering (SAXS)
SAXS experiments were performed at the Austrian SAXS beamline at the ELETTRA Synchrotron facility using a Xenocs Xeuss 2.0 system (Xenocs, Grenoble, France) equipped with a PILATUS 3R 1M hybrid photon-counting detector (Dectris AG, Baden, Switzerland). Measurements were carried out using Cu Kα radiation (λ = 0.154 nm). The sample-to-detector distance was set to 1.212 m, corresponding to a scattering vector range of 0.1 < q < 5 nm⁻¹.
Samples were loaded into sealed quartz capillaries (0.8 mm diameter; Hilgenberg GmbH, Malsfeld, Germany). Background subtraction was performed using the corresponding solvent scattering profiles. All measurements were conducted at controlled temperatures using a Linkam temperature stage (Linkam Scientific Instruments, Tadworth, UK). SAXS data reduction and analysis were performed using FOXTROT and PRIMUS software from the ATSAS package.
Atomic Force Microscopy (AFM)
AFM measurements were carried out using a JPK NanoWizard® 4 atomic force microscope (JPK Instruments, Berlin, Germany) operating in Quantitative Imaging (QI) mode. Freshly cleaved mica functionalized with 3-aminopropyltriethoxysilane (APTES) served as the substrate. Liposome dispersions were diluted 1000-fold, deposited onto the functionalized mica surface, and incubated for 30 min prior to gentle rinsing with distilled water and air drying.
Images were processed and analyzed using JPK Data Processing and Gwyddion v2.67 software (http://gwyddion.net/, accessed on 15 May 2025). In Gwyddion, the following operations were performed: level data by mean plane subtraction, align rows using various methods, shift maximum data value to zero, stretch color range to part of data with explicitly fixed color range, extract profiles along arbitrary lines, align and level profiles followed by averaging, and fit Gaussian function to the averaged data.
Data Accessibility and Open-Source Compatibility
The DSC and FTIR datasets are provided in text-based formats that can be accessed and analyzed using a wide range of software, including freely available and open-source tools such as LibreOffice Calc, Python-based scientific libraries (NumPy, SciPy, Pandas), Fityk, and OpenChrom.
The DLS datasets are provided in text-based formats and can be accessed and analyzed using LibreOffice Calc, Python-based scientific libraries, and other open-source data analysis environments..
SAXS data files can be processed and analyzed using the open-source ATSAS package, including PRIMUS, as well as SASView software (https://www.sasview.org/).
AFM data analysis can be performed using the open-source Gwyddion software package (http://gwyddion.net/), which supports visualization, topographic analysis, profile extraction, and statistical image processing.
(2026-05-27)
