This readme.txt file was generated on 2022-06-22 by Saul Vallejos Calzada GENERAL INFORMATION 1. Title of dataset: Dataset of the work Smart sensory polymer for straightforward Zn(II) detection in pet food samples 2. Autorship Name: Jose Carlos Guirado Moreno Institution: Departamento de Química. Universidad de Burgos Email: jcguirado@ubu.es ORCID: https://orcid.org/0000-0001-6233-5496 Name: Lara Gonzalez Ceballos Institution: Departamento de Biotecnología y Ciencia de los Alimentos. Universidad de Burgos Email: lgceballos@ubu.es ORCID: https://orcid.org/0000-0002-8983-7362 Name: Israel Carreira Barral Institution: Departamento de Química. Universidad de Burgos Email: icarreira@ubu.es ORCID: https://orcid.org/0000-0002-4835-8752 Name: Saturnino Ibeas Cortes Institution: Departamento de Química. Universidad de Burgos Email: sibeas@ubu.es ORCID: https://orcid.org/0000-0003-1831-5943 Name: Miguel Angel Fernandez Muiño Institution: Departamento de Biotecnología y Ciencia de los Alimentos. Universidad de Burgos Email: mafernan@ubu.es ORCID: https://orcid.org/0000-0001-5982-2293 Name: Maria Teresa Sancho Institution: Departamento de Biotecnología y Ciencia de los AlimentosUniversidad de Burgos Email: mtsancho@ubu.es ORCID: https://orcid.org/0000-0002-9128-9422 Name: José Miguel García Pérez Institution: Departamento de Química. Universidad de Burgos Email: svallejos@ubu.es ORCID: https://orcid.org/0000-0002-2674-8194 Name: Saul Vallejos Calzada Institution: Departamento de Química. Universidad de Burgos Email: svallejos@ubu.es ORCID: https://orcid.org/0000-0001-5522-6574 DESCRIPTION ----------- 1. Dataset language English 2. Abstract: The dataset contains all raw data of the work "Smart sensory polymer for straightforward Zn(II) detection in pet food samples" 3. Keywords: zinc detection; zinc in food; sensory polymers; fluorescent probes; RGB parameters 4. Date of data collection 2021-2022 5. Date of dataset publication 2022-06-22 6. Funding Authors gratefully acknowledge the financial support provided by the Spanish Agencia Estatal de Investigación (State Research Agency) (grant PID2020-113264RB-I00/AEI/10.13039/501100011033). 7. Geographic location/s of data collection Burgos (Spain) ACCESS INFORMATION ------------------ 1. Dataset Creative Commons License: CC 4.0 Internacional 2. Dataset DOI: 10.36443/10259/6729 (http://doi.org/10.36443/10259/6729) 3. Related publication The related article has been sent to: "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy" ISSN:1386-1425 METHODOLOGICAL INFORMATION -------------------------- 1H and 13C{1H} NMR spectra (Advance III HD spectrometer, Bruker Corporation, Billerica, Massachusetts, USA) were recorded at 300 MHz for 1H and 75 MHz for 13C using deuterated dimethyl sulfoxide (DMSO-d6) at 25°C as solvent. The powder X-ray diffraction (PXRD) patterns were obtained using a diffractometer (D8 Discover Davinci design, Bruker Corporation, Billerica, Massachusetts, USA) operating at 40 kV, using Cu(Kα) as the radiation source, a scan step size of 0.02°, and a scan step time of 2 s. X-ray diffraction studies were conducted at 200 K on a Bruker D8 VENTURE diffractometer. The polymers thermal and mechanical characterization was performed by: a) thermogravimetric analysis (Q50 TGA analyser, TA Instruments, New Castle, DE, USA) with 10–15 mg of sample under synthetic air and nitrogen atmosphere at 10°C·min−1; b) differential scanning calorimetry, with 10–15 mg of the sample under a nitrogen atmosphere at a heating rate of 10°C min−1 (Q200 DSC analyser, TA Instruments, New Castle, DE, USA), and c) tensile properties analysis of the samples (5×9.44×0.122 mm at 1 mm·min−1) (Shimadzu EZ Test Compact Table-Top Universal Tester, Shimadzu, Kyoto, Japan). Infrared spectra (FTIR) were recorded with an infrared spectrometer (FT/IR-4200, Jasco, Tokyo, Japan) with an ATR-PRO410-S single reflection accessory. Fluorescence spectra of solutions were recorded using a F-7000 Hitachi Fluorescence spectrophotometer (Hitachi, Tokyo, Japan). Solution measurements for interaction study were carried out in a conventional cuvette, with no special procedures. Time-resolved fluorescence measurements were carried out using the single-photon counting technique with ns time resolution. A high repletion pulsed light source is used to excite the sample and the photons emitted are processed using the TCC1 card in the computer. Fluorescence decays were obtained with the Time Correlated Single Photon Counting (TCSPC) and MCP-PMT counter module (TCC2) of the FLS980 spectrometer. The excitation sources were diode laser with excitation wavelength 380 nm for all samples. EPLs-lasers produce picosecond duration pulses < 1ns at repetition rates up to 20 MHz. Emission slit used was 2 nm. Fluorescence decays were analysed with the method of non-linear least squares iterative deconvolution and the quality of the fits was judged by the values of the reduced Chi-square (χ2) and the autocorrelation function of the residuals using the FAST (Advanced Fluorescence Lifetime Analysis Software) programme provided by the equipment. Measuring conditions: Laser 380 nm, Em 450 nm, Slits widths Δλexc = 4 nm, 50 ns, 2000 c. A rectangular 10 mm cuvette was used for the fluorescence measurements. All data were measured at 25ºC ± 0.1 ºC. The weight percentage of water taken up by the films upon soaking in pure water at 20°C until reaching equilibrium (water-swelling percentage, WSP) was obtained from the weight of a dry sample film (ωd) and its water-swelled weight (ωs) using the following expression: WSP = 100 × [(ωs − ωd)/ωd]. High-resolution electron-impact mass spectrometry (EI-HRMS) was carried out on a Micromass AutoSpect (Waters mass, Micromass Holdings Ltd., Cary, North Carolina), using a ionisation energy of 70 eV, and a mass resolving power: >10,000. Inductively coupled plasma mass spectrometry (ICP-MS) measurements were recorded on an Agilent 7500 ICP-MS spectrometer (Agilent, Santa Clara, USA). Digital photographs were taken with a Huawei p30 pro (Huawei, Shenzhen, China) in a dark room (distance to the object = 25 cm) under UV radiation (365 nm lamp, 45º inclination). G parameter of digital photographs was extracted using the smartphone app “Colorimetric Titration” [18,19]. FILE OVERVIEW -------------- 01-FLUORESCENCE STUDY.ods 02-INTERFERENCE STUDY.ods 03-PROOF OF CONCEPT.ods Compound 2-1H.txt Compound 2-13C.txt Compound 3-1H.txt Compound 3-13C.txt Compound 4-1H.txt Compound 4-13C.txt Mono-Zn-1H.txt Mono-Zn-13C.txt FT-IR-Compound 2.txt FT-IR-Compound 3.txt FT-IR-Compound 4.txt FT-IR-FILM-Zn.txt FT-IR-MONO-Zn.txt TGA.txt DSC.txt PXRD-Film-Zn.xy PXRD-Film-Zn-Zn(II).xy Tensile properties Film-Zn.csv Short description: Each file is a .ods, .txt, .xy or .csv file of each study/experiment TABULAR DATA-SPECIFIC INFORMATION --------------------------------- 01-FLUORESCENCE STUDY.ods (1299KB) 02-INTERFERENCE STUDY.ods (10KB) 03-PROOF OF CONCEPT.ods (348KB) Compound 2-1H.csv (# of rows: 65536; # of columns: 2; 1095KB) Compound 2-13C.csv (# of rows: 65536; # of columns: 2; 1142KB) Compound 3-1H.csv (# of rows: 65536; # of columns: 2; 1141KB) Compound 3-13C.csv (# of rows: 65536; # of columns: 2; 1148KB) Compound 4-1H.csv (# of rows: 65536; # of columns: 2; 1131KB) Compound 4-13C.csv (# of rows: 65536; # of columns: 2; 1092KB) Mono-Zn-1H.csv (# of rows: 65536; # of columns: 2; 1135KB) Mono-Zn-13C.csv (# of rows: 65536; # of columns: 2; 1080KB) FT-IR-Compound 2.txt (# of rows: 3755; # of columns: 2; 70KB) FT-IR-Compound 3.txt (# of rows: 3755; # of columns: 2; 70KB) FT-IR-Compound 4.txt (# of rows: 3755; # of columns: 2; 70KB) FT-IR-FILM-Zn.txt (# of rows: 3755; # of columns: 2; 70KB) FT-IR-MONO-Zn.txt (# of rows: 3755; # of columns: 2; 70KB) TGA.txt (# of rows: 11576; # of columns: 5; 443KB) DSC.txt (# of rows: 4696; # of columns: 9; 254KB) PXRD-Film-Zn.xy (# of rows: 1309; # of columns: 2; 24KB) PXRD-Film-Zn-Zn(II).xy (# of rows: 1309; # of columns: 2; 23KB) Tensile properties Film-Zn.csv (425KB)