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Search results for: high resolution mass spectrometry
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Assessing the Impact of Chemical Loads from Agriculture Holdings on the Puck Bay Environment with the High-Resolution Ecosystem Model of the Puck Bay, Southern Baltic Sea
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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Valence and ionic lowest-lying electronic states of small esters studied by high resolution vacuum ultraviolet photoabsorption, photoelectron spectroscopy and ab initio calculations
PublicationEsters are an important class of oxygenated volatile organic compounds used in food flavorings, perfumes and other cosmetic products. They are present in fruits and pheromones and are emitted to the atmosphere naturally. Esters are also formed in the atmosphere as a product of the oxidation of ethers. Some of them form poly-molecule chains and are used in plastics. Phosphoesters form DNA backbone, while nitroesters are known for...
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Initial performance evaluation of a high resolution Albira small animal positron emission tomography scanner with monolithic crystals and depth-of-interaction encoding from a user's perspective
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TU‐FF‐A2‐04: New High‐Resolution Method to Measure the 3D Dose Distribution Around Brachytherapy Seeds Using BANG3‐Pro Gel Dosimetry
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Adam Macierzanka dr hab. inż.
People2015-presentHead of Department, Associate ProfessorDepartment of Colloid and Lipid Science, Faculty of Chemistry, Gdansk University of Technology, Gdansk, Poland 2019-2020Visiting Professor, Food Science and NutritionRiddet Institute, Massey University, Palmerston North, New Zealand 2014-2015Research LeaderColloid Science, Food & Health Research ProgrammeInstitute of Food Research, Norwich, United Kingdom 2012-2014Full Professor,...
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XPS (X-ray photoelectron spectroscopy) spectra and high-resolution spectra of C 1 s and O 1 s of the PCMCA-X (potassium citrate derived porous carbon materials obtained at various temperatures)
Open Research DataThese data include XPS full spectra and high-resolution spectra of C 1 s and O 1 s of the (potassium citrate derivedporous carbon material obtained at 700 °C), PCMCA-800 (potassium citrate derived porous carbon material obtained at 800 °C), PCMCA (potassium citrate derived porous carbon material obtained at 900 °C). The elemental composition on the...
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Synthesis, the crystal structure, and high-resolution NMR spectroscopy of methyl 4-O-acetyl-3-azido-2,3,6-trideoxy-6-iodo-ŕ-D-arabino-hexopyranoside
PublicationW wyniku wieloetapowej syntezy otrzymano glikozyd metylowy 4-O-acetylo-3-azydo-2,3,6-trideoksy-6-jodo-ŕ-D-arabino-heksopyranozy. Związek wykazuje konformację 4C1, co wykazano na podstawie wysokorozdzielczej spektroskopii1H i 13C NMR oraz rentgenowskiej analizy strukturalnej monokryształu. W pracy scharakteryzowano również 7 nowych związków otrzymanych jako produkty pośrednie i uboczne.
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Synthesis, crystal structure, and high-resolution NMR spectroscopy of methyl 3-azido-2,3-dideoxy-4,6-di-O-p-tolylsulfonyl-α-D-xylo-hexopyranoside
PublicationOpisano syntezę 3-azydo-2,3-dideoksy-4,6-di-O-p-toluenosulfonylo- i 6-O-p-toluenosulfonylo-alfa-D-ksylo-heksopiranozydów. Dla obu związków i ich prekursorów wykonano wysokorozdzielczą spektroskopię 1H i 13C NMR. Strukturę tytułowego związku określono metodą rentgenowskiej analizy strukturalnej. W pracy dyskutuje się wpływ grup ochronnych przy atomach tlenu na przesunięcia chemiczne sąsiadujących atomów w węglowej i protonowej spektroskopii...
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Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies...
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Low energy electron attachment to platinum(II) bromide (PtBr2)
PublicationtDissociative electron attachment to PtBr2in the gas phase was studied in the low electron energy rangefrom zero up to 10 eV with an energy resolution of 150 meV. The experiments were carried out using ahemispherical electron monochromator coupled with a quadrupole mass spectrometer and pulse count-ing acquisition system. The only anion observed was Br−. This ion is formed at three resonance electronenergies: 0.4 eV, 1.2 eV and...
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High performance super-twisting sliding mode control for a maritime autonomous surface ship (MASS) using ADP-Based adaptive gains and time delay estimation
PublicationThis research addresses two kinds of problems related to optimal trajectory tracking of a Maritime Autonomous Surface Ship (MASS): those caused by the time-varying external disturbances including winds, waves and ocean currents as well as those resulting from inherent dynamical uncertainties. As the paper shows, an accurate and robust optimal controller can successfully deal with both issues. An improved Optimal Adaptive Super-Twisting...
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High performance super-twisting sliding mode control for a maritime autonomous surface ship (MASS) using ADP-Based adaptive gains and time delay estimation
PublicationThis research addresses two kinds of problems related to optimal trajectory tracking of a Maritime Autonomous Surface Ship (MASS): those caused by the time-varying external disturbances including winds, waves and ocean currents as well as those resulting from inherent dynamical uncertainties. As the paper shows, an accurate and robust optimal controller can successfully deal with both issues. An improved Optimal Adaptive Super-Twisting...
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Fire Weather Index data for Poland (March – September 2019) based on high-resolution Weather Research and Forecasting Model
Open Research DataThis dataset contains forecasted FWI indices calculated for the period: March 1 - September 30, 2019, based on the meteorological fields derived from the Weather Research and Forecasting Model (WRF) ver. 4.2.1. For each day FWI data with the forecast range equal 24 and 48 hour were stored in GeoTIFF files. In addition, soil moisture and temperature...
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Karolina Lademann mgr
PeopleCurriculum vitae
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Significant Decrease in Glycated Hemoglobin, 2h-Post-Load Glucose and High-Sensitivity C-Reactive Protein Levels in Patients with Abnormal Body Mass Index after Therapy with Manual Lymphatic Drainage
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Anna Brillowska-Dąbrowska dr hab. inż.
PeopleAnna Brillowska-Dąbrowska, born in 1971 in Gdańsk, Poland, graduated in 1996 in Biotechnology from the Faculty of Chemistry, Gdańsk University of Technology (GUT). In 2001 she got her PhD, in 2013 became a DSc (habilitation). She was employed in 2004 as a researcher in Statens Serum Institut in Denmark. Currently she is an Associate Professor (adiunkt) in the Department of Molecular Biotechnology and Microbiology and Vice-dean...
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Karolina Lademann Mgr
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Comparison of High Performance Liquid Chromatography Methods with Different Detectors for Determination of Steroid Hormones in Aqueous Matrices
PublicationThis paper presents the development and comparison of procedures for the qualitative and quantitative determination of five estrogenic compounds (17-a-ethynylestradiol, estrone, estradiol, estriol, and progesterone) in drinking water and wastewater samples. Five extraction columns and two disks were tested for their efficiency. The C18 columns were superior on the basis of cost for solid phase extraction of drinking water or sewage....
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Paweł Kubica dr inż.
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RP-HPLC WITH DETECTION BY MEANS OF ESI-MS AND UV FOR IDENTIFICATION OF CHROMATOGRAPHIC PEAKS OF SOME HYDROXY DERIVATIVES OF EPOXY RESIN
PublicationThe composition of products synthesized on the basis of ED-24 epoxy resin has been studied using a reversed phase high-performance liquid chromatography followed by an electrospray ionization mass spectrometry (RP-HPLC/ESI-MS). The synthesized products contain free hydroxy groups and such groups, as epoxy, peroxy, carboxy or acrylate.
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Analytical data on molecular umbrella: cispentacin and molecular umbrella: fluorescent probe conjugates
Open Research DataAnalytical data (NMR, MS, FTIR) for nine conjugates of molecular umbrella with cispentacin, Lys(Mca) or Nap-NH2. The conjugates have been rationally designed as potential antifungal agents. 1H NMR and 13C NMR spectra were obtained at 500 MHz Varian Unity Plus spectrometer and the deuterated solvents were used as internal locks. High-resolution mass...
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The Current State-of-the-Art in the Determination of Pharmaceutical Residues in Environmental Matrices Using Hyphenated Techniques
PublicationSeveral thousand tons of pharmaceuticals and their transformation products (metabolites and degradation products) are introduced into the environment each year. They affect both human health and the environment, therefore, analytical procedures enabling the determination of a wide range of pharmaceuticals at trace levelswithminimal effort, time, and energy are required. Nowadays, hyphenated techniques are commonly applied in pharmaceutical...
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Recent Applications of 1D GC-MS and 2D GC-MS in Foodomics Studies
PublicationGas chromatography coupled with mass spectrometry and food chemistry have been tightly linked since the 1960s. This setup is also an integral part of the omics studies when it comes to low mass metabolites. Therefore, the marriage of GC-MS and foodomics is obvious. Two-dimensional gas chromatography coupled with mass spectrometry fits perfectly within the latest trends in foodomics, since it is tailored for holistic food analysis....
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Synthesis and characterization of novel renewable polyesters based on 2,5-furandicarboxylic acid and 2,3-butanediol
PublicationNovel polyesters from 2,5-furandicarboxylic acid or 2,5-dimethyl-furandicarboxylate and 2,3-butanediol have been synthesized via bulk polycondensation catalyzed by titanium (IV) n-butoxide, tin (IV) ethylhexanoate, or zirconium (IV) butoxide. The polymers were analyzed by size exclusion chromatography, nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy (FTIR), matrix-assisted laser ionization-desorption...
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Nowe substancje psychoaktywne Cz. III. Syntetyczne katynony-charakterystyka, metody oznaczania i wyzwania analitycznje
PublicationSyntetyczne katynony to druga co do liczebności (po syntetycznych kannabinoidach) grupa nowych substancji psychoaktywnych będących składnikiem dopalaczy zabezpieczanych przez policję w nielegalnym handlu. Substancje te po raz pierwszy wykryto w Europie w 2004 r., a do końca roku 2015 zidentyfikowano aż 103 nowe związki z tej grupy. Możliwość wprowadzania dodatkowych grup funkcyjnych w strukturę katynonu pozwala na niezwykle wiele...
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The use of HPLC-Q-TOF-MS for comprehensive screening of drugs and psychoactive substances in hair samples and several “legal highs” products
PublicationNon-targeted screening of drugs present in herbal products, known as “legal high” drugs and in hair as a biological matrix commonly used in toxicological investigations was accomplished with the use of high pressure liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). In total, 25 and 14 therapeutical drugs and psychoactive substances/metabolites were detected in investigated hair samples...
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Monitoring of volatile organic compounds (VOCs) in atmospheric air. Part I. On-line gas analyzers
PublicationThe paper reviews the subject literature concerning the analytical instruments routinely used for monitoring volatile organic compounds in atmospheric air. The analyzers are classified as stationary or mobile according to their ease of transport. Stationary DOAS (Differential Optical Absorption Spectroscopy) analyzer is characterized, as are MIMS (Membrane Introduction Mass Spectrometry), MESI (Membrane Extraction with Sorbent...
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Obrony prac doktorskich na Wydziale Chemicznym
EventsDn. 22.04.2022 r. o godz. 10.15 w Audytorium 1.4 Wydziału Chemicznego PG (budynek nr 5) odbędzie się w trybie hybrydowym publiczna obrona pracy doktorskiej mgr inż. Katarzyny Nalazek-Rudnickiej.
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Funcionality assessment of Citrus Hysteria peel as a protective barrier using gas chromatography
PublicationThe aim of this study was to analyse the volatile fractions of fruit peel and pulp using two-dimensional gas chromatography technique coupled with mass spectrometry. The isolation of the compounds was achieved by microextraction to the stationary phase from the headspace of the sample (HS-SPME). Mass spectrometry with time-of-flight analyser (TOF-MS) was used to identify the chemical compounds. There are no reports in the literature...
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Analytical procedures for the determination of surfactants in environmental samples
PublicationBecause of their specific physical and chemical properties (amphiphilicity, solubility in polar and nonpolar liquids, ability to form micelles, adsorption at phase boundaries, low toxicity) surfactants (surface-active compounds) are widely applied in industry and in the household. As their applications are on a very large scale, it has become necessary to acquire a more detailed understanding of their environmental fate.In the...
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Comprehensive two-dimensional gas chromatography and three-dimensional fluorometry for detection of volatile and bioactive substances in some berries
PublicationThe volatilefractionsofCapegooseberryandblueberryweredeterminedbyheadspacesolid-phase microextractioncoupledwithcomprehensivetwo-dimensionalgaschromatographywithtime-of-flight mass spectrometry(HS-SPME/GCGC-TOFMS).Thehighestamountofalcohol(51.8%),ester(32.8%)and carboxylicacid(6.9%)wasinblueberryincomparisonwithgooseberryandoppositelyketones(14.7%), aldehydes(9.9%)andterpenes(8%)werefoundingooseberry.Thebioactivecompoundsandantioxidant capacities...
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Ionization and ionic fragmentation of tetrahydrofuran molecules by electron collisions
PublicationElectron impact ionization and ionic fragmentation of tetrahydrofuran molecules in the gas phase were studied in the energy range from ionization threshold up to 150 eV using the technique of mass spectrometry. The cation mass spectra, ionization and ionic fragmentation efficiencies were measured over this energy range. Well-resolved mass peaks were detected in the mass range 10-72 amu and assigned to corresponding ionic molecular...
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Analysis
PublicationNew food products and diverse formulations containing the regulated steviol glycoside(s) as well as Stevia extracts or Stevia leaves have been brought on the global market. The upcoming multitude of such food products, but also their falsification and adulteration, does have impact on food analysis. Robust high-throughput methods that cope with different food matrices are required for food control to ensure food safety. The analysis...
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Electron ionization induced fragmentation of fluorinated derivatives of bisphenols
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Electron impact ionization of CCl4 and SF6 embedded in superfluid helium droplets
PublicationBadana była jonizacja helowych nano-kropel o rozmiarach 104 z osadzonymi wewnątrz molekułami CCl4 i SF6. Zmierzone z dużą rozdzielczością widma masowe wskazują na tworzenie dużych klasterów w przypadku CCl4. Zależność intensywności jonizacji w funkcji energii wskazuje, że w przypadku obu molekuł osadzają się one wewnątrz kropli. Zaobserwowano jon macierzysty CCl4-, prawdopodobnie powstający na drodze jonizacji Penninga podczas...
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Ionization of tocopherols and tocotrienols in atmospheric pressure chemical ionization
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Bi-dipole-bound anions
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Possible mechanisms for protecting NCα bonds in helical peptides from electron-capture (or transfer) dissociation
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Chemistry induced by low-energy electrons in condensed multilayers of pure small organic acids
PublicationPrzedstawiono reakcje indukowane przez niskoenergetyczne elektrony (0.7 - 20 eV) w kondensowanych warstwach kwasu mrówkowego (HCOOH), częściowo deuterowanego kwasu octowego (CH3COOD) oraz kwasu trifluorooctowego (CF3COOD).
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Dissociation and fragmentation of furan by electron impact
PublicationDissociation and fragmentation processes that produce electronically excited atomic and molecular fragments, following electron impact excitation, have been studied in furan. The optical excitation technique has been employed over the electron incident energy range 15-95 eV. Formation of excited hydrogen atoms H(n) in the n = 4-10 states has been detected by observation of the Balmer series. The diatomic CH fragments are formed...
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Reactions in nanofilms of trifluoroacetic acid (CF3COOH) driven by low energy electrons
PublicationBadano modyfikacje chemiczne indukowane przez niskoenergetyczne elektrony (0-20eV) w cienkich warstwach skondensowanych molekuł CF3COOH. Do badań zastosowano dwie metody: desorpcję jonów w wyniku bombardowania elektronami (ESD - Electron Stimulated Desorption) oraz termiczną desorpcję jonów (TDS - Thermal Desorption Spectroscopy).
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Electron-impact ionization of fluoromethanes – Review of experiments and binary-encounter models
PublicationExperiments and recommended data on electron-impact ionization of methane and fluoromethanes (CH3F, CH2F2, CHF3, CF4) are reviewed and compared with binary-encounter models (Gryzinski’s, ´ Deutsch and Märk’s, and Kim and Rudd’s). A good agreement between recent experiments and the two latter classical-like models is shown. Kim and Rudd’s model (calculated presently in the restricted HartreeFock 6-31**G orbital basis) predicts well...
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Dissociative multi-photon ionization of isolated uracil and uracil-adenine complexes
PublicationRecent multi-photon ionization (MPI) experiments on uracil revealed a fragment ion at m/z 84 that was proposed as a potential marker for ring opening in the electronically excited neutral molecule. The present MPI measurements on deuterated uracil identify the fragment as C3H4N2O+ (uracil+ less CO), a plausible dissociative ionization product from the theoretically predicted open-ring isomer. Equivalent measurements on thymine...
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Electron attachment and electron iozization of acetic acid clusters embedded in helium nanodroplets
PublicationThe effect of incident electrons on acetic acid clusters is explored for the first time. The acetic acid clusters are formed inside liquid helium nanodroplets and both cationic and anionic productsejected in to the gas phase aredetected by mass spectrometry.
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Chromatographic and Spectroscopic Identification and Recognition of Natural Dyes, Uncommon Dyestuff Components, and Mordants: Case Study of a 16th Century Carpet with Chintamani Motifs
PublicationA multi-tool analytical practice was used for the characterisation of a 16th century carpet manufactured in Cairo. A mild extraction method with hydrofluoric acid has been evaluated in order to isolate intact flavonoids and their glycosides, anthraquinones, tannins, and indigoids from fibre samples. High-performance liquid chromatography coupled to spectroscopic and mass spectrometric detectors was used for the identification of...
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Submerged objects modeling and storing in a global reference context using multiresolution spline technique,
PublicationContemporary records from multibeam sonars or even elevations from 3D shuttle radar topography missions feature high resolution. On the other hand, bathymetric models of a different resolution from different sensors are available as well, beginning from very high resolution MBS records and low resolution records coming from regular scattered measurements. Approximating and eventually visualizing the high volume scattered 3D raster...
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Understanding the formation of metastable furan dication in collisions with ions
PublicationThis work relies on complementary theoretical and experimental studies of the processes induced by ion-furan collisions. Results of the Molecular Dynamics simulations and exploration of the energy profiles combined with coincidence mass spectrometry provide complete picture of the fragmentation of furan dication.
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Dehydrogenation in electron-induced dissociative ionization of pyridine molecule
PublicationThe electron-impact dissociative ionization of pyridine has been investigated using mass spectrometry. Thirty-two well-resolved mass peaks have been identified in the cation mass spectra and assigned to the most likely ionic molecular fragments. The new sixteen ionic fragments' appearance energies have been determined, and sixteen others remeasured. The total cross-section for electron-impact ionization of pyridine has been measured...
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Emission Profiles of Volatiles during 3D Printing with ABS, ASA, Nylon, and PETG Polymer Filaments
PublicationIn this short communication we characterize the emission of volatile organic compounds (VOCs) from fused filament fabrication (FFF) 3D printing using four polymer materials, namely polyethylene terephthalate glycol-modified (PETG), acrylonitrile styrene acrylate (ASA), Nylon, and acrylonitrile butadiene styrene (ABS). Detailed emission profiles are obtained during thermal degradation of the polymers as a function of temperature...