Particles were analyzed over a range of 150 to 3000 cm−1 using a Raman spectrometer (Horiba LabRam HR Evolution) equipped with a Single Mode Open Beam Laser Diode (Innovative Photonic Solutions) operating at a wavelength of 785 nm coupled with a charge-coupled device detector (Horiba Synapse). Before the library search, to reduce noise and enhance the spectrum quality without losing subtle spectral information, each spectrum passed through a baseline correction and denoising procedure (Labspec 6, Horiba Scientific). Pre-processed spectra were then evaluated and compared to the following spectral libraries: Raman polymers and monomers from Bio-Rad Sadtler and Raman Forensic from Horiba using the KnowItAll software from Bio-Rad. The Correlation algorithm (KnowItAll, Bio-Rad) was used to evaluate each query spectrum to the spectra of the databases. The Hit Quality Index (HQI) was used to rank the results of the spectral search. To assess the inorganic composition of isolated MPs, all particles identified as plastic polymers were examined using a FESEM (Hitachi Ultra-high resolution SU8010) operating at 5 keV and equipped with an Oxford-Horiba Inca XMax50 energy-dispersive X-ray (EDX; Oxford Instruments Analytical, High Wycombe, England). The detection limit of the machine was around 1000 pg/µg for most of the heavy metals.
Knowitall
Manufactured by Bio-Rad
Sourced in United States
KnowItAll is a comprehensive software platform designed to analyze and interpret spectroscopic data. The core function of KnowItAll is to provide advanced data processing and identification capabilities for various spectroscopic techniques, including infrared (IR), Raman, and nuclear magnetic resonance (NMR) spectroscopy.
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Lab products found in correlation
8 protocols using knowitall
1
Raman Spectroscopy and SEM-EDX Analysis of Microplastics
2
Characterizing Polyphenolic Powders by FT-IR
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The polyphenolic powders (tannin foams, acidified tannin gel, and original tannin powder) were scanned with an FT-IR Frontier (Perkin-Elmer, Waltham, MA, USA) spectrometer coupled with an ATR miracle unit. The spectra were registered in triplicate with 32 scans in the spectral region between 4000 and 600 cm−1 with a resolution of 4 cm−1. The spectra were then investigated in the spectral region between 1800 and 600 cm−1, averaged, normalized, and baseline corrected with the software KnowItAll (BioRad, California, USA).
3
FTIR Analysis of Microalgae Biomass and Biofuels
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The composition of microalgae dry cells and biofuels, and the type of functional groups of the algal dry cell and biofuels were assessed through FTIR spectroscopy study [40 ]. FTIR analyses were conducted on microalgae dry cell (1 & 2), biodiesel (veg. oil), and biodiesel (1 & 2) at room temperature using Shimadzu (IRTracer-100) FTIR spectrophotometer [34 (link)]. The dried algal biomass samples were further broken into powder. Dried algal cells were pressed against the diamond cell before scanning. The extracts from these samples were observed for their functionalities in the spectrogram. The spectra were collected in the mid-IR range from 4000 to 800 cm-1 (at a spectral resolution of 2 cm-1), and data were analyzed using Microsoft Excel, irAnalyze-RAMalyze (LabCognition GmbH & Co. KG) and KnowItAll (Bio-Rad Laboratories Inc., Pennsylvania, USA).
4
Microplastics Analysis by Raman Spectroscopy
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Potential microplastics were analysed using Raman spectroscopy (Renishaw inVia, excitation wavelength 785 nm, reproducibility < 1 cm−1, absolute power ≥ 300 mW, with Leica DM 25,000 M microscope, ×50 magnification lens, WiRE 4.1 software). Particles were manually selected. Analysis was performed over the entire spectrum (Raman shift 0–3200 cm−1) with 1–100% laser power, 10 s exposure time and three accumulations. Particle spectra were compared against our own Raman polymer library, SLoPP(e)24 (link) and standard libraries in BioRad KnowItAll. Minimum acceptable scores were 70% for individual and multi-components results and 50% for peak results, all scores were also visually assessed. Particles were classed as ‘inconclusive’ when only dyes could be identified.
5
Polymer Composition Analysis of Plastic Particles
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All particles identified as plastic were analyzed using micro-Raman spectroscopy (WITec, operated by WITec Control) to determine polymer composition. Fibres were analyzed using a 785 nm laser to limit particle analysis issues at 50 ×–100 × objectives and adjustable power (ranging from 10 to 40 mW), and fragments were analyzed using a 532 nm laser at 20 ×–50 × objectives and adjustable power (power ranged from 15 to 20 mW). Spectra were recorded in the wavenumber range of 0–1800 cm–1 for fibres and 0–3600 cm–1 for fragments. The spectra were analyzed through a commercial library (KnowItAll, Bio-Rad) to confirm polymer identity (see Supporting Information Figure SI-3 ).
6
Processing and Analysis Workflow for Scientific Data
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If not stated otherwise, data was processed using OriginPro 2021 (OriginLab, Northampton, MA, USA) and BioRad KnowItAll.
7
Microplastic Identification via FTIR
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Suspected MPs were analysed using a Cary 670 FTIR spectrometer equipped with a Cary 620 microscope (Agilent Technologies, Mulgrave, AUS). Particles, including individual microfibres, were analysed using the micro-ATR accessory equipped with a Germanium crystal. For this, individual particles were affixed to a glass microscope slide covered with a thin layer of 2% dextrose (Sigma-Aldrich, St. Louis, USA) using microtweezers. For each sample, 128 co-added scans at a resolution of 8 cm−1 in the range of 3800–900 cm−1 were collected. The spectra were matched against commercial library of FTIR spectra (KnowItAll, Bio-Rad). Sample spectra were identified successfully if they met the following criteria: (i) all major peaks were present in both reference and sample spectra and (ii) the total overlap of the reference and sample spectra was >80%.
8
Polymer Identification Using Micro-Raman and Pyrolysis-GC/MS
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For µ-Raman analysis, each particle was analyzed with an XploRA PLUS V1.2 (HORIBA Scientific, France SAS) equipped with two lasers of 785 and 532 nm wavelength. First, plastic particles were analyzed with laser wavelength set at 785 nm over a range of 50 to 3,940 cm -1 with a x10 (NA=0.25; WD=10.6 mm) or x100 (NA=0.9; WD=0.21 mm) objective (Olympus, France). If identification with the 785 nm laser was not successful, particles were secondly analyzed with a laser wavelength set at 532 nm over a range of 50 to 4,000 cm -1 with a x10 or x100 objective. The experimental conditions (integration time, accumulation, laser power)
were adapted to limit fluorescence and increase the spectral quality of the analyzed particles.
Polymer identification was carried out using spectroscopy software (KnowItAll, Bio-Rad) and our own database containing pre-established polymers spectra. Identification was considered correct if Hit Quality Index (HQI) was above 80 (ranging from 0 to 100). If identification of a particle was not successful after µ-Raman spectroscopy, the particle was then included in the section 2.7.
For Py-GC/MS, a piece of each particle was cut to the smallest possible size and prepared as indicated in section 2.2. Pyrolysis-GC/MS was realized as described above (cf. 2.5).
were adapted to limit fluorescence and increase the spectral quality of the analyzed particles.
Polymer identification was carried out using spectroscopy software (KnowItAll, Bio-Rad) and our own database containing pre-established polymers spectra. Identification was considered correct if Hit Quality Index (HQI) was above 80 (ranging from 0 to 100). If identification of a particle was not successful after µ-Raman spectroscopy, the particle was then included in the section 2.7.
For Py-GC/MS, a piece of each particle was cut to the smallest possible size and prepared as indicated in section 2.2. Pyrolysis-GC/MS was realized as described above (cf. 2.5).
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