Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Differentiation of Polyamide 6, 6.6, and 12 Contaminations in Polyolefin-Recyclates Using HPLC Coupled to Drift-Tube Ion-Mobility Quadrupole Time-of-Flight Mass Spectrometry.

ABSTRACT: Recycling is a current hot topic with a focus especially on plastics. The quality of such plastic recyclates is of utmost importance for further processing because impurities lead to a reduction thereof. Contaminations originating from other polymers are highly problematic due to their immiscibility with the recyclate, leading to possible product failures. Therefore, methods for the determination of polymer impurities in recyclates should be investigated. In this paper, an approach for the identification of three different polyamide grades (polyamide 6, 6.6, and 12) is presented, applicable for the analysis of polyolefin-recyclates. An HPLC equipped with a drift-tube ion-mobility QTOF-MS was used for the identification and differentiation of compounds originating from the polyamides, which were then used as markers. These marker compounds are specific for each type and can be identified by their corresponding value of the collision cross section (CCS). After a simple sample preparation, all three types of polyamides were identified within one measurement. In particular, the problematic differentiation of polyamide 6 and 6.6 was easily made possible.

SUBMITTER: Schweighuber A

PROVIDER: S-EPMC8235147 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

A fast-screening approach for the tentative identification of drug-related metabolites from three non-steroidal anti-inflammatory drugs in hydroponically grown edible plants by HPLC-drift-tube-ion-mobility quadrupole time-of-flight mass spectrometry.

Project description:The (tentative) identification of unknown drug-related phase II metabolites in plants upon drug uptake remains a challenging task despite improved analytical instrument performance. To broaden the knowledge of possible drug metabolization, a fast-screening approach for the tentative identification of drug-related phase II metabolites is presented in this work. Therefore, an in silico database for the three non-steroidal anti-inflammatory drugs (ketoprofen, mefenamic acid, and naproxen) and a sub-group of their theoretical phase II metabolites (based on combinations with glucose, glucuronic acid, and malonic acid) was created. Next, the theoretical exact masses (protonated species and ammonia adducts) were calculated and used as precursor ions in an autoMS/MS measurement method. The applicability of this workflow was tested on the example of eleven edible plants, which were hydroponically grown in solutions containing the respective drug at a concentration level of 20 mg/L. For the three drugs investigated this led to the tentative identification of 41 metabolites (some of them so far not described in this context), such as combinations of hydroxylated mefenamic acid with up to four glucose units or hydroxylated mefenamic acid with two glucose and three malonic acid units.

| S-EPMC7898722 | biostudies-literature

Development of an LC-MS method for the semiquantitative determination of polyamide 6 contaminations in polyolefin recyclates.

Project description:Recycling will be of increasing importance in the future, especially for plastic packaging waste mainly consisting of polyolefins. One major problem of recyclates comprises impurities which can have a significant negative impact on future product properties. Polyamide 6 can be found widely as contaminant in recycled polyolefins, leading to a need of quantification methods thereof. In this paper, a method development for the quantitative analysis of polyamide 6 is presented based on analysing ε-caprolactam and related cyclic oligomers as marker compounds in model recyclates of high- and low-density polyethylene and polypropylene compounded with low amounts of polyamide 6. For the method development and tentative identification of the different cyclic compounds, a HPLC-QTOF-MS was used and it was possible to detect six different compounds, ε-caprolactam and the corresponding cyclic di- to hexamer. The quantification was performed with a HPLC-QQQ-MS, equipped with a HILIC column, after sample preparation via microwave-assisted extraction. It could be shown that a good linearity from 0.2 up to 5 wt% polyamide 6 in the different polyolefins can be achieved. The cyclic trimer and tetramer show a low limit of quantification and are therefore well-suited for the quantification, whereas the other cyclic compounds can be then used as qualifiers to avoid false positives. To guarantee the applicability of the method, six real recyclate materials were analysed, whereby in three of them low amounts of polyamide 6 could be detected. Graphical abstract.

| S-EPMC7813719 | biostudies-literature

Uptake and bio-transformation of telmisartan by cress (Lepidium sativum) from sewage treatment plant effluents using high-performance liquid chromatography/drift-tube ion-mobility quadrupole time-of-flight mass spectrometry.

Project description:In the present study, the uptake and metabolization of the sartan drug telmisartan by a series of plants was investigated. Thereby for seven potential metabolites, modifications on the telmisartan molecule such as hydroxylation and/or glycosylation could be tentatively identified. For two additional signals detected at accurate masses m/z 777.3107 and m/z 793.3096, no suggestions for molecular formulas could be made. Further investigations employing garden cress (Lepidium sativum) as a model plant were conducted. This was done in order to develop an analytical method allowing the detection of these substances also under environmentally relevant conditions. For this reason, the knowledge achieved from treatment of the plants with rather high concentrations of the parent drug (10 mg L-1) was compared with results obtained when using solutions containing telmisartan in the μg - ng L-1 range. Thereby the parent drug and up to three tentative drug-related metabolites could still be detected. Finally cress was cultivated in water taken from a local waste water treatment plant effluent containing 90 ng L-1 of telmisartan and harvested and the cress roots were extracted. In this extract, next to the parent drug one major metabolite, namely telmisartan-glucose could be identified.

| S-EPMC8445863 | biostudies-literature

Development of a New Ion Mobility (Quadrupole) Time-of-Flight Mass Spectrometer.

Project description:A new ion mobility spectrometer (IMS) platform was developed to improve upon the sensitivity and reproducibility of our previous platforms, and further enhance IMS-MS utility for broad 'pan-omics' measurements. The new platform incorporated an improved electrospray ionization source and interface for enhanced sensitivity, and providing the basis for further benefits based upon implementation of multiplexed IMS. The ion optics included electrodynamic ion funnels at both the entrance and exit of the IMS, an ion funnel trap for ion injection, and a design in which nearly all ion optics (e.g. drift rings, ion funnels) were fabricated using printed circuit board technology. The IMS resolving power achieved was ~73 for singly-charged ions, very close to the predicted diffusion-limited resolving power (~75). The platform's performance evaluation (e.g. for proteomics measurements) include LC-IMS-TOF MS datasets for 30 technical replicates for a trypsin digested human serum, and included platform performance in each dimension (LC, IMS and MS) separately.

| S-EPMC4501404 | biostudies-literature

Ultra-Fast Polarity Switching, Non-Radioactive Drift Tube for the Miniaturization of Drift-Time Ion Mobility Spectrometer.

Project description:Drift-time ion mobility spectrometer (DT-IMS) is a promising technology for gas detection and analysis in the form of miniaturized instrument. Analytes may exist in the form of positively or negatively charged ions according to their chemical composition and ionization condition, and therefore require both polarity of electric field for the detection. In this work the polarity switching of a drift-time ion mobility spectrometer based on a direct current (DC) corona discharge ionization source was investigated, with novel solutions for both the control of ion shutter and the stabilization of aperture grid. The drift field is established by employing a switchable high voltage power supply and a serial of voltage regulator diode, with optocouplers to drive the ion shutter when the polarity is switched. The potential of aperture grid is stabilized during the polarity switching by the use of four diodes to avoid unnecessary charging cycle of the aperture grid capacitor. Based on the proposed techniques, the developed DT-IMS with 50 mm drift path is able to switch its polarity in 10 ms and acquire mobility spectrum after 10 ms of stabilization. Coupled with a thermal desorption sampler, limit of detection (LoD) of 0.1 ng was achieved for ketamine and TNT. Extra benefits include single calibration substance for both polarities and largely simplified pneumatic design, together with the reduction of second drift tube and its accessories. This work paved the way towards further miniaturization of DT-IMS without compromise of performance.

| S-EPMC9269308 | biostudies-literature

Flexible Drift Tube for High Resolution Ion Mobility Spectrometry (Flex-DT-IMS).

Project description:This paper describes, in detail, the development of a novel, low-cost, and flexible drift tube (DT) along with an associated ion mobility spectrometer system. The DT is constructed from a flexible printed circuit board (PCB), with a bespoke "dog-leg" track design, that can be rolled up for ease of assembly. This approach incorporates a shielding layer, as part of the flexible PCB design, and represents the minimum dimensional footprint conceivable for a DT. The low thermal mass of the polyimide substrate and overlapping electrodes, as afforded by the dog-leg design, allow for efficient heat management and high field linearity within the tube-achieved from a single PCB. This is further enhanced by a novel double-glazing configuration which provides a simple and effective means for gas management, minimizing thermal variation within the assembly. Herein, we provide a full experimental characterization of the flexible DT ion mobility spectrometer (Flex-DT-IMS) with corresponding electrodynamic (Simion 8.1) and fluid dynamic (SolidWorks) simulations. The Flex-DT-IMS is shown to have a resolution >80 and a detection limit of low nanograms for the analysis of common explosives (RDX, PETN, HMX, and TNT).

| S-EPMC7467419 | biostudies-literature

Binding Mechanisms Between Laser-Welded Polyamide-6.6 and Native Aluminum Oxide.

Project description:Nowadays, hybrid polymer/metal assemblies experience a growing demand in the industry, especially for transports and biomedical purposes. Those assemblies offer many advantages, such as lightweight structures and corrosion resistance. The main difficulty to assemble them remains. In this sense, laser welding is more than a promising technique because of its rapidity, the absence of intermediate materials, and its high design freedom. Unfortunately, several fundamental aspects are not well understood yet, as the chemical bonding at the interface. For this work, common materials are studied: polyamide-6.6 and aluminum. A previous published work strongly suggests the formation of a C-O-Al bond at the interface, but this information needs to be confirmed and the reaction mechanism is still uncertain. To achieve this goal, two different model samples were prepared. The first ones are spin-coated layers of polyamide-6.6 on mirror polished aluminum; the other samples are made of a layer of N-methylformamide mimicking the reactive part of the polymer, dip-coated on aluminum. Both sample types were analyzed with XPS and ToF-SIMS and display similar results: C-O-Al bond formation at the interface is confirmed and a reaction mechanism is proposed.

| S-EPMC8674993 | biostudies-literature

Controlled Surface Modification of Polyamide 6.6 Fibres Using CaCl2/H2O/EtOH Solutions.

Project description:Polyamide 6.6 is one of the most widely used polymers in the textile industry due to its durability; however, it has rather limited modification potential. In this work, the controlled surface modification of polyamide 6.6 fibres using the solvent system CaCl2/H2O/EtOH was studied. The effects of solvent composition (relative proportions of the three components) and treatment time on fibre properties were studied both in situ (with fibres in solvent) and ex situ (after the solvent was washed off). The fibres swell and/or dissolve in the solvent depending on its composition and the treatment time. We believe that the fibre⁻solvent interaction is through complex formation between the fibre carbonyl groups and the CaCl2. On washing, there is decomplexation and precipitation of the polymer. The treated fibres exhibit greater diameters and surface roughness, structural difference between an outer shell and an inner core is observable, and water retention is higher. The solvent system is more benign than current alternatives, and through suitable tailoring of the treatment conditions, e.g., composition and time, it may be used in the design of advanced materials for storage and release of active substances.

| S-EPMC6415128 | biostudies-literature

An Interlaboratory Evaluation of Drift Tube Ion Mobility-Mass Spectrometry Collision Cross Section Measurements.

Project description:Collision cross section (CCS) measurements resulting from ion mobility-mass spectrometry (IM-MS) experiments provide a promising orthogonal dimension of structural information in MS-based analytical separations. As with any molecular identifier, interlaboratory standardization must precede broad range integration into analytical workflows. In this study, we present a reference drift tube ion mobility mass spectrometer (DTIM-MS) where improvements on the measurement accuracy of experimental parameters influencing IM separations provide standardized drift tube, nitrogen CCS values (DTCCSN2) for over 120 unique ion species with the lowest measurement uncertainty to date. The reproducibility of these DTCCSN2 values are evaluated across three additional laboratories on a commercially available DTIM-MS instrument. The traditional stepped field CCS method performs with a relative standard deviation (RSD) of 0.29% for all ion species across the three additional laboratories. The calibrated single field CCS method, which is compatible with a wide range of chromatographic inlet systems, performs with an average, absolute bias of 0.54% to the standardized stepped field DTCCSN2 values on the reference system. The low RSD and biases observed in this interlaboratory study illustrate the potential of DTIM-MS for providing a molecular identifier for a broad range of discovery based analyses.

| S-EPMC5744684 | biostudies-literature

Collision-Induced Unfolding Studies of Proteins and Protein Complexes using Drift Tube Ion Mobility-Mass Spectrometer.

Project description:Elucidating the structures and stabilities of proteins and their complexes is paramount to understanding their biological functions in cellular processes. Native mass spectrometry (MS) coupled with ion mobility spectrometry (IMS) is emerging as an important biophysical technique owing to its high sensitivity, rapid analysis time, and ability to interrogate sample complexity or heterogeneity and the ability to probe protein structure dynamics. Here, a commercial IMS-MS platform has been modified for static native ESI emitters and an extended mass-to-charge range (20 kDa m/z) and its performance capabilities and limits were explored for a range of protein and protein complexes. The results show new potential for this instrument platform for studies of large protein and protein complexes and provides a roadmap for extending the performance metrics for studies of even larger, more complex systems, namely, membrane protein complexes and their interactions with ligands.

| S-EPMC7289629 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data