DOI: 10.34810/data906
title: Data related to research article "Polybenzoxazines as new photothermal therapy agents"

description: Raw data of research article "Polybenzoxazines as new photothermal therapy agents". This research paper describes the preparation of molecular and nanostructured polybenzoxazine photothermal agents as well as their characterization and biological application in vitro
description: Universitat Autònoma de Barcelona. Grup d’Electroquímica, Fotoquímica i Reactivitat Orgànica (GEFRO).

METHODOLOGICAL INFORMATION

1. Description of methods used for collection-generation of data: 
1H NMR spectra were recorded on a Bruker DPX360 (360 MHz) spectrometer in CDCl3, acetone-d6 and DMSO-d6. The δ-scale was normalized relative to the residual solvent signal (CDCl3: 7.26 ppm, acetone-d6: 2.05 ppm and DMSO-d6: 2.49 ppm). 
Infrared spectra were measured on a Bruker Tensor 27 Golden Gate spectrometer in attenuated total reflectance mode (IR-ATR). 
The UV-vis absorption spectra of liquid samples, solutions and colloidal suspensions were measured with an Agilent 8453 UV-visible spectrophotometer using Hellma Analytics glass cuvettes (1-cm light path). 
Fluorescence spectra were recorded by means of a custom-made spectrofluorometer using a cw diode laser (λexc = 445 nm) as the excitation source. Emitted photons were detected using an Andor ICCD camera coupled to a spectrograph. 
Molecular weight distributions were determined by gel permeation chromatography (GPC) using an Agilent Technologies 1260 Infinity chromatograph and THF as a solvent. The instrument was equipped with three gel columns: PLgel 5μm Guard/50×7.5 mm, PLgel 5μm 10000 Å MW 4K−400K, and PL Mixed gel C 5μm MW 200−3M. Calibration was made by using PMMA standards. 
Differential scanning calorimetry (DSC) experiments were conducted with a TA Instruments Q20 calorimeter using Tzero™ pans and lids calibrated with indium (Tm = 429.75 K, ΔHm = 3267 kJ/mol). For all the samples, we used a heating rate of 10 °C/min and a N2 flow of 50 mL/min.
Scanning electron microcopy (SEM) images of the polymer nanoparticles were taken using a Zeiss Merlin scanning electron microscope. All the samples were metalized with a layer of about 5 nm of Pt prior to SEM imaging. 
Dynamic light scattering (DLS) measurements to characterize their nanoparticle diameters and ζ-potentials were measured in a Malvern Zetasizer Nano ZS apparatus. 
Cell culture irradiation experiments were performed using a GenIUL photoactivation universal light device (λexc = 620 – 630 nm; power density = 55 mW/cm2; energy dose: 33 J/cm2). 
Fluorescence confocal images were acquired in a Leica TCS-SP5 AOBS spectral Confocal Laser Scanning Microscope (Leica Microsystems) using a Plan-Apochromatic 63X objective lens (λexc = 405 nm). The fluorescence spectrum of the internalized polymers was registered using the same microscope operating in Lamba Scan mode. 

2. Methods for processing the data: 
NMR, IR, GPC, DSC, DLS and SEM data are presented raw. UV-Vis spectra are presented after baseline substraction. Fluorescence spectra were corrected by the wavelength dependence of the spectral response of the detection system. Nanoparticle size histograms were obtained by analyzing SEM images with the ImageJ software. Two-channel color contrast in fluorescence confocal images was balanced with Fiji software. Cell statistical analyses were performed by using GraphPad Prism software (6.01 version, Windows).

3. Instrument- or software- specific information needed to interpret the data: 
NMR spectra: Bruker Topspin 4.1.1 or higher, or MestReNova 12.0.0 or higher.
IR data: Adobe Acrobat Reader.
GPC, DSC, DLS, UV-vis and fluorescence data: OriginPro 8.1 or higher, or any other graphic representation program, such as Microsoft Excel.
description: NMR spectra: Bruker Topspin 4.1.1 or higher, or MestReNova 12.0.0 or higher, null
description: IR data: Adobe Acrobat Reader, null
description: GPC, DSC, DLS, UV-vis and fluorescence data: OriginPro 8.1 or higher, or any other graphic representation program, such as Microsoft Excel, null