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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Heier, Jakob
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Topics
Publications (20/20 displayed)
- 2024Integration of metal meshes as transparent conducting electrodes into perovskite solar cellscitations
- 2024Polypy: a framework to interpret polymer properties from mass spectroscopy datacitations
- 2024Polypy:A Framework to Interpret Polymer Properties from Mass Spectroscopy Datacitations
- 2024Polypy: A Framework to Interpret Polymer Properties from Mass Spectrometry Datacitations
- 2020Nanocellulose‐MXene biomimetic aerogels with orientation‐tunable electromagnetic interference shielding performancecitations
- 2018Cyanine platelet single crystals: growth, crystal structure and optical spectracitations
- 2015Influence of chemically p-type doped active organic semiconductor on the film thickness versus performance trend in cyanine/C60 bilayer solar cells
- 2015Influence of chemically p-type doped active organic semiconductor on the film thickness versus performance trend in cyanine/C 60 bilayer solar cellscitations
- 2014Photonic light trapping in self-organized all-oxide microspheroids impacts photoelectrochemical water splittingcitations
- 2012(Benzimidazolin-2-ylidene)-AuI-Alkynyl Complexescitations
- 2012Self-organised microdots formed by dewetting in a highly volatile liquidcitations
- 2011The effect of solvent and electric field on the size distribution of iron oxide microdots: exploitation of self-assembly strategies for photoelectrodescitations
- 2011Synthesis, thin-film morphology, and comparative study of bulk and bilayer heterojunction organic photovoltaic devices using soluble diketopyrrolopyrrole moleculescitations
- 2011Three dimensional analysis of self-structuring organic thin films using time-of-flight secondary ion mass spectrometrycitations
- 2010High performing doped cyanine bilayer solar cellcitations
- 2009Pattern formation in thin polymer films by spatially modulated electric fieldscitations
- 2009J-aggregation of cyanine dyes by self-assemblycitations
- 2007Interface control in organic heterojunction photovoltaic cells by phase separation processes
- 2007Interface morphology snapshots of vertically segregated thin films of semiconducting polymer/polystyrene blendscitations
- 2007Interface morphology snapshots of vertically segregated thin films of semiconducting polymer/polystyrene blendscitations
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article
Polypy: a framework to interpret polymer properties from mass spectroscopy data
Abstract
Mass spectroscopy (MS) is a robust technique for polymer characterization, and it can provide the chemical fingerprint of a complete sample regarding polymer distribution chains. Nevertheless, polymer chemical properties such as polydispersity (Pd), average molecular mass (MᵅB), weight average molecular mass (Mᵆ4) and others are not determined by MS, as they are commonly characterized by gel permeation chromatography (GPC). In order to calculate polymer properties from MS, a Python script was developed to interpret polymer properties from spectroscopic raw data. Polypy script can be considered a peak detection and area distribution method, and represents the result of combining the MS raw data filtered using Root Mean Square (RMS) calculation with molecular classification based on theoretical molar masses. Polypy filters out areas corresponding to repetitive units. This approach facilitates the identification of the polymer chains and calculates their properties. The script also integrates visualization graphic tools for data analysis. In this work, aryl resin (poly(2,2-bis(4-oxy-(2-(methyloxirane)phenyl)propan) was the study case polymer molecule, and is composed of oligomer chains distributed mainly in the range of dimers to tetramers, in some cases presenting traces of pentamers and hexamers in the distribution profile of the oligomeric chains. Epoxy resin has MᵅB = 607 Da, Mᵆ4 = 631 Da, and polydispersity (Pd) of 1.015 (data given by GPC). With Polypy script, calculations resulted in MᵅB = 584.42 Da, Mᵆ4 = 649.29 Da, and Pd = 1.11, which are consistent results if compared with GPC characterization. Additional information, such as the percentage of oligomer distribution, was also calculated and for this polymer matrix it was not possible to retrieve it from the GPC method. Polypy is an approach to characterizing major polymer chemical properties using only MS raw spectra, and it can be utilized with any MS raw data for any polymer matrix.