TY - JOUR
A1 - Tavernaro, Isabella
A1 - Simon, Fabian
A1 - Gehrenkemper, Lennart
A1 - Tobias, Charlie
A1 - Resch-Genger, Ute
A1 - Meermann, Björn
T1 - Quantification of the amount of surface groups of aminated silica nano- and microparticles utilizing a fluorine tag and HR-CS-GFMAS
N2 - The performance, bioavailability, and safe use of engineered nanomaterials (NMs) depends not only on properties such as size, shape, and surface area, but largely on surface chemistry. While many sizing methods have been established, there is still a lack of validated screening methods for determining NM surface functional groups (FGs). In this context, we present a fast and simple method for FG quantification using high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) and assess its applicability for the surface analysis of representatively chosen aminated silica nanoparticles (NPs) and microparticles (MPs) in conjunction with amino FG labeling with a fluorine tag. For this proof-of-concept study, first surface amino FG screening of the silica NPs and MPs was done with a potentiometric back titration method, providing the total amount of protonatable surface FGs, and two optical assays relying on reporter dyes with sizes and spatial requirements, i.e., surface binding areas smaller or larger than that of the fluorine tag to estimate the maximum and reporter-accessible number of amino FGs. Subsequently, the surface amino FGs were labeled with the fluorine tag 4-(trifluoromethyl)benzoic acid (TFMB) and the amount of fluorine originating from the bound TFMB molecules was quantified by HR-CS-GFMAS in two common organic solvents, i.e., dimethyl sulfoxide (DMSO) or ethanol (EtOH) to assess possible interferences from organic matrices. Our study revealed limits of detection (LODs) and quantification (LOQs) for fluorine of 1.0 µg/L and 3.5 µg/L in EtOH and 1.5 µg/L and 5.0 µg/L in DMSO, respectively. Overall, a quick and simple method for analyzing surface FGs on NPs and MPs was presented utilizing broadly available fluorine tags and HR-CS-GFMAS for fluorine quantification, which can be applied, e.g., for homogeneity, stability, and aging studies of surface-modified particles. This could contribute to ease the understanding of property-safety relationships for surface-functionalized NMs.
KW - Fluorine Analysis
KW - Nano- and microparticles
KW - Surface group quantification
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641965
DO - https://doi.org/10.1007/s00216-025-06107-4
SN - 1618-2642
SP - 1
EP - 11
PB - Springer Science and Business Media LLC
CY - Berlin ; Heidelberg
AN - OPUS4-64196
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Scharek, Vera M.
A1 - Kröger, Tommy
A1 - Keil, Karin
A1 - Traub, Heike
A1 - Meermann, Björn
T1 - A new elemental analytical approach for microplastic sum parameter analysis—ETV/ICP-MS with CO2
N2 - Microplastics (MPs) are pervasive environmental pollutants and are considered one of the main challenges of our time. However, a fast and comprehensive analytical approach for MP analysis in complex matrices traceable to SI units is still lacking. In this context, we report a fast screening tool for the sum parameter analysis of MPs using electrothermal vaporization (ETV) coupled to inductively coupled plasma-mass spectrometry (ICP-MS). In our proof-of-concept study, we observed size-independent detection of MPs as peaks above the 13C+ signal background in the nano- to micrometer range without limitations regarding the polymer type. Quantification of the 13C+ MP signals was accomplished via an external gas calibration utilizing dynamic dilution of carbon dioxide with argon, yielding recovery rates of 80–96% for MP reference material (RM) of polymer types commonly found in the environment. The applicability to a soil sample was demonstrated through spiking experiments with a polyethylene (PE) MP RM in soil. The limit of detection (LOD) was estimated to be 0.13 µg C, equaling the detection of a single spherical low-density-PE particle of about 70 µm, and a limit of quantification (LOQ) of 0.42 µg C.
KW - ETV/ICP-MS
KW - Mikroplastik
KW - Summenparameter
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-646418
DO - https://doi.org/10.1007/s00216-025-06146-x
SN - 1618-2642
SP - 1
EP - 10
PB - Springer
CY - Berlin ; Heidelberg
AN - OPUS4-64641
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bayerl, C.
A1 - Shahryari, M.
A1 - Reiter, R.
A1 - Proß, V.
A1 - Lehmann, K.
A1 - Kühl, A. A.
A1 - Becker, Dorit
A1 - Schulz, Andreas
A1 - Infante Duarte, C.
A1 - Taupitz, M.
A1 - Geisel, D.
A1 - Tzschätzsch, H.
A1 - Saatz, Jessica
A1 - Traub, Heike
A1 - Asbach, P.
T1 - Quantitative Analysis of Gadolinium Deposits in Liver Tissue of Patients After Single or Multiple Gadolinium-based Contrast Agent Application
N2 - Gadolinium-based contrast agents (GBCAs) are widely used in magnetic resonance imaging. Concerns exist regarding gadolinium deposition and its potential histopathologic tissue alterations, especially after repeated administrations of linear, less stable GBCAs. This study aimed to quantify gadolinium mass fractions in liver specimens of subjects exposed to GBCAs in correlation with histopathologic features.
In this study, mass fractions of gadolinium in human liver specimens from 25 subjects who underwent liver tumor resection surgery and had received GBCA (1 to 9 times over 4 years), were quantitatively analyzed using inductively coupled plasma–mass spectrometry (ICP-MS). Histomorphology was assessed based on the nonalcoholic fatty liver disease activity score (NAS).
Our results suggest that after intravenous administration of GBCA, a small fraction of gadolinium is retained in the liver over a time period of at least several weeks. A relationship was observed between Gadolinium retention and the number of GBCA administrations, but not with the cumulative dose and the degree of fatty liver disease.
KW - ICP-MS
KW - Contrast agent
KW - Gadolinium
KW - Liver
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-646608
DO - https://doi.org/10.1097/RLI.0000000000001254
SN - 1536-0210
SP - 1
EP - 10
PB - Lippincott Williams & Wilkins
CY - Philadelphia, Pa.
AN - OPUS4-64660
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lozano-Martín, Daniel
A1 - Tuma, Dirk
A1 - Chamorro, César R.
T1 - Evaluation of Reference Equations of State for Density Prediction in Regasified LNG Mixtures Using High-Precision Experimental Data
N2 - This study evaluates the performance of three reference equations of state (EoS), AGA8-DC92, GERG-2008, and SGERG-88, in predicting the density of regasified liquefied natural gas (RLNG) mixtures. A synthetic nine-component RLNG mixture was gravimetrically prepared. High-precision density measurements were obtained using a single-sinker magnetic suspension densimeter over a temperature range of (250 to 350) K and pressures up to 20 MPa. The experimental data were compared with EoS predictions to evaluate their accuracy. AGA8-DC92 and GERG-2008 showed excellent agreement with the experimental data, with deviations within their stated uncertainty. In contrast, SGERG-88 exhibited significantly larger deviations for this RLNG mixture, particularly at low temperatures of (250 to 260) K, where discrepancies reached up to 3 %. Even at 300 K, deviations larger than 0.4 % were observed at high pressures, within the model’s uncertainty, but notably higher than those of the other two EoSs. The analysis was extended to three conventional 11-component natural gas mixtures (labeled G420 NG, G431 NG, and G432 NG), previously studied by our group using the same methodology. While SGERG-88 showed reduced accuracy for the RLNG mixture, it performed reasonably well for these three mixtures, despite two of them have a very similar composition to the RLNG. This discrepancy is attributed to the lower CO2 and N2 content typical in RLNG mixtures, demonstrating the sensitivity of EoS performance to minor differences in composition. These findings highlight the importance of selecting appropriate EoS models for accurate density prediction in RLNG applications.
KW - Regasified LNG
KW - Equation of state
KW - Density
KW - Gravimetric preparation
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-646506
DO - https://doi.org/10.1007/s10765-025-03669-4
SN - 0195-928X
VL - 46
SP - 1
EP - 25
PB - Springer Science and Business Media LLC
CY - Heidelberg
AN - OPUS4-64650
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Heide, Maximilian
A1 - Reifenrath, Jonas
A1 - Herrmann, Alexander
A1 - Engelhard, Carsten
T1 - Fast and Sustainable Active Pharmaceutical Ingredient (API) Screening in Over-the-Counter and Prescription Drug Products by Surface-Assisted Plasma-Based Desorption/Ionization High-Resolution Mass Spectrometry
N2 - Fast chemical analysis of pharmaceutical preparations is important for quality assurance, counterfeit drug detection, and consumer health. While quantitative methods such as high-performance liquid chromatography mass spectrometry (HPLC-MS) are powerful, there is a need for sustainable and environmentally friendly methods, which require less chemicals and produce less waste. Here, solvent-free ambient desorption/ionization (ADI) MS methods are attractive because they do not require time-consuming chromatography, produce little to no chemical waste, and, thus, contribute to green chemistry practice. In addition, sample throughput can be higher compared to HPLC-MS. In this study, a method for direct analysis of single- and multi agent drugs using a plasma-based ADI source (flowing atmospheric-pressure afterglow, FAPA) coupled to high-resolution (HR) MS was developed and optimized for best performance. The approach is rapid and only requires analytes to be in solution (only a few µL) before application onto thin-layer chromatography (TLC) surfaces, specifically dimethyl (RP2-) and cyano (CN-) modified silica, for surface-assisted (SA) FAPA-HRMS measurements. No chromatographic separation was required, and the TLC plates served only as sample carriers. A broad variety of 19 active pharmaceutical ingredients (APIs) was carefully selected to cover analgesics, anesthetics, antibiotics, antiepileptics, calcium channel blockers, diuretics, expectorants, opioids, peripheral vasodilators, stimulants, and sympathomimetics. Fast screening and identification of APIs was performed by SA-FAPA-HRMS. Typically, the protonated molecular ion ([M+H]+) was the most abundant species, while some compounds (codeine, metamizole, phenoxymethylpenicillin, and torasemide) did show some degree of fragmentation. As a proof-of-principle application, benzocaine was directly detected in saliva samples post-intake of a lozenge. Time-resolved semi-quantitative screening was performed. The limit of detection for benzocaine in saliva was 8 ng/mL (48.4 fmol) using internal standard calibration and CN-HPTLC plates. In addition, direct quantification of artificially spiked saliva was performed with minimal sample preparation. Here, SA-FAPA-HRMS with a CN-HPTLC sample substrate yielded best performance (20.02±0.52 µg/mL, RSD=2.6%, deviation of -1.9% from the theoretical value) compared to RP2-TLC (18.97±1.37 µg/mL, RSD=7.2%, -7.0%), and HPLC-UV (18.51±0.03 µg/mL, RSD=0.2%, -9.3%) results. In conclusion, SA FAPA HRMS is considered attractive for rapid and sustainable analysis of pharmaceuticals with potential in non-invasive patient monitoring.
KW - Mass Spectrometry
KW - Pharmaceuticals
KW - Green Chemistry
KW - Ambient Desorption/Ionization
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640718
DO - https://doi.org/10.1039/D5AY01050K
SN - 1759-9660
VL - 17
IS - 18
SP - 7799
EP - 7809
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-64071
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Homann, Christian
A1 - Peeters, Régis
A1 - Mirmajidi, Hana
A1 - Berg, Jessica
A1 - Fay, Michael
A1 - Rodrigues, Lucas Carvalho Veloso
A1 - Radicchi, Eros
A1 - Jain, Akhil
A1 - Speghini, Adolfo
A1 - Hemmer, Eva
T1 - Rapid microwave-assisted synthesis of morphology-controlled luminescent lanthanide-doped Gd2O2S nanostructures
N2 - Gadolinium oxysulfide (Gd2O2S) is an attractive material of demonstrated suitability for a variety of imaging applications, leveraging its magnetic, scintillating, and luminescent properties, particularly when doped with optically active lanthanide ions (Ln3+). For many of these applications, control over size and morphology at the nanoscale is crucial. This study demonstrates the rapid microwave-assisted Synthesis of colloidal Ln2O2S (Ln = Gd and dopants Yb, Er, Tb) nanostructures in as little as 20 min. Structural characterization using X-ray diffraction analysis (XRD), Raman spectroscopy, as well as Transmission electron microscopy (TEM), including elemental mapping via energy dispersive X-ray spectroscopy (EDS), unveiled the key role of elemental sulphur (S8) in the reaction mixtures for materials growth. By systematically varying the Ln-to-S ratio from 1 : 0.5 to 1 : 15, controlled morphologies ranging from triangular nanoplatelets to berry- and flower-like shapes were achieved. Doping with Er3+/Yb3+ endowed the nano-triangles with upconverting and near-infrared emitting properties. Tb3+-doped Gd2O2S exhibited the characteristic green Tb3+ emission under UV excitation, while also showing X-ray excited optical luminescence (XEOL), rendering the material interesting as a potential nano-scintillator.
KW - Upconversion
KW - Microwave-assisted synthesis
KW - Synthesis
KW - Fluorescence
KW - Nano
KW - Particle
KW - NIR
KW - XRD
KW - X-ray fluoressence
KW - Morphology control
KW - Raman
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647907
DO - https://doi.org/10.1039/D5TC01646K
SN - 2050-7526
VL - 13
IS - 35
SP - 18492
EP - 18507
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-64790
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Frenzel, Olivia
A1 - Westphalen, Tanja
A1 - Kaminski, Katja
A1 - Kluge, Stephanie
A1 - Bücker, Michael
A1 - Piechotta, Christian
T1 - Evaluation and Validation of an Accelerated Weathering Procedure to Characterise the Release of Bisphenol A from Polycarbonate Under Exposure to Simulated Environmental Conditions
N2 - Bisphenol A (BPA) has been listed as a substance of very high concern (SVHC) due to its endocrine-disrupting properties according to REACH in 2017. European competent authorities have prepared a REACH restriction proposal to reduce BPA levels in the environment. The proposed limit for the concentration of free BPA and other bisphenols in articles is 10 mg kg−1. If exceeded, migration testing can demonstrate that no more than 0.04 mg L−1 is released from the product or material over its lifetime. German authorities are drafting a new restriction proposal after the original was temporarily withdrawn. The residual and migration limits mentioned above were key requirements from the previous restriction proposal. Numerous national and international standards exist for assessing how environmental factors affect the physical and chemical properties of products and materials—such as notch impact strength and tensile strength—but these standards do not cover the release of pollutants. A standardised procedure that covers all aspects of artificial weathering and monitors the subsequent release of pollutants is necessary, especially in the context of the regulation of these substances. An accelerated weathering procedure was established for non-protected samples. This material was not intended for outdoor applications. The testing procedure applied a typical weathering scenario that represents Central European climate conditions. The procedure was validated and applied to samples under distinct quality assurance aspects. Released BPA is quantified via an organic isotope dilution LC-MS/MS method. In parallel, identical samples were weathered outdoors on a weathering rack. Haze and yellowness index are measured to compare outdoor and weathering chamber results.
KW - Artificial weathering
KW - Polycarbonate
KW - Bisphenol A
KW - Simulated environmental conditions
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-645020
DO - https://doi.org/10.3390/app151910361
SN - 2076-3417
VL - 15
IS - 19
SP - 1
EP - 15
PB - MDPI AG
AN - OPUS4-64502
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Matiushkina, Anna
A1 - Abram, Sarah-Luise
A1 - Tavernaro, Isabella
A1 - Richstein, R.
A1 - Reithofer, M. R.
A1 - Andresen, Elina
A1 - Michaelis, Matthias
A1 - Koch, Matthias
A1 - Resch-Genger, Ute
T1 - Quantifying Citrate Surface Ligands on Iron Oxide Nanoparticles with TGA, CHN Analysis, NMR, and RP-HPLC with UV Detection
N2 - Although citrate is frequently used as a surface ligand for nanomaterials (NMs) such as metal, metal oxide, and lanthanide-based NMs in hydrophilic environments due to its biocompatibility and simple replacement by other more strongly binding ligands in postsynthetic surface modification reactions, its quantification on NM surfaces has rarely been addressed. Here, we present a multimethod approach for citrate quantification on iron oxide nanoparticles (IONPs) broadly applied in the life and material sciences. Methods explored include thermogravimetric (TGA) and elemental (CHN) analysis, providing citrate-nonspecific information on the IONP coating, simple photometry, and citrate-selective reversed-phase high-performance liquid chromatography (RP-HPLC) with absorption (UV) detection and quantitative nuclear magnetic resonance spectroscopy (qNMR). Challenges originating from the strongly absorbing magnetic NM and paramagnetic iron species interfering with optical and NMR Methods were overcome by suitable sample preparation workflows. Our multimethod approach to citrate quantification highlights the advantages of combining specific and unspecific methods for characterizing NM Surface chemistry and method cross-validation. It also demonstrates that chemically nonselective measurements can favor an overestimation of the amount of a specific surface ligand by signal contributions from molecules remaining on the NM surface, e.g., from particle synthesis, such as initially employed ligands and/or surfactants. Our results emphasize the potential of underexplored selective RPHPLC for quantifying ligands on NMs, which does not require a multistep sample preparation workflow such as qNMR for many NMs and provides a higher sensitivity. These findings can pave the road to future applications of versatile HPLC methods in NM characterization.
KW - Advanced material
KW - Functional group
KW - Iron oxide
KW - Ligand
KW - Nano
KW - Particle
KW - Quantification
KW - Surface analysis
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648632
DO - https://doi.org/10.1021/acs.analchem.5c03024
SN - 0003-2700
VL - 97
IS - 36
SP - 19627
EP - 19634
PB - American Chemical Society (ACS)
CY - Washington, DC
AN - OPUS4-64863
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Jaeger, Carsten
A1 - Lintelmann, Jutta
A1 - Franke, Raimo
A1 - Artati, Anna
A1 - Cecil, Alexander
A1 - Broda, Frank
A1 - Klawonn, Frank
A1 - Erban, Alexander
A1 - Kopka, Joachim
A1 - Fuchs, Beate
A1 - Sommer, Ulf
A1 - Neumann-Schaal, Meina
A1 - O'Connor, Gavin
T1 - Analytical practices, use and needs of standard and reference materials in the German-speaking metabolomics community: results of an online survey
N2 - Introduction
Since the early 2000s, metabolomics has grown rapidly, becoming integral to fields like life sciences, health, and environmental research. This expansion has led to the formation of national and international societies, such as Germany’s DGMet, to tackle emerging challenges. One of DGMet’s goals is to improve measurement quality by assessing community needs for harmonization and standardization. A recent survey within the German-speaking community aimed to identify current practices and gaps in the use of chemical standards and reference materials, to guide future standardization efforts and collaborative initiatives.
Methods
An online survey was conducted between June 2023 and April 2024. The survey consisted of 38 key questions and was open to research institutions from Germany, Austria, and Switzerland.
Results
The survey was accessed by 68 laboratories, with 23 institutes providing complete or partial responses (34% response rate), which is comparable to rates reported in similar surveys within the metabolomics and lipidomics communities. Respondents were mainly experienced researchers from Germany, focusing mainly on health-related (“red”) metabolomics, as indicated by 78% of the respondents, followed by microbial (“grey”, 48%) and plant (“green”, 39%) metabolomics (multiple answers possible). The use of targeted methods was reported more frequently (91%) than that of non-targeted methods (78%), whereas metabolite fractions studied were equally split between polar, midpolar and lipid fractions (83% each). Human (74%), mouse (61%) and Arabidopsis (30%) were the most frequently studied organisms. Most participants used synthetic chemical standards for instrument qualification (83%), calibration (78%), and metabolite identification (74%), while matrix reference materials were mainly applied for quality control (52%) and method validation (44%). There was a strong demand for more standards, especially for metabolite identification and quantification, with cost being a major barrier, particularly for isotopically labelled standards and certified reference materials.
Conclusions
Valuable insights into the use of standards and reference materials within the German-speaking metabolomics community were obtained. Moving forward, the community should address critical gaps in metabolomics standardization. To achieve this, it must share its knowledge, articulate its needs clearly, and actively engage in joint efforts with national metrology institutes and international standardization initiatives.
KW - Reference material
KW - Chemical standard
KW - Metabolomics
KW - Mass spectrometry
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647303
DO - https://doi.org/10.1007/s11306-025-02360-x
VL - 21
IS - 6
SP - 1
EP - 11
PB - Springer-Nature
CY - Heidelberg
AN - OPUS4-64730
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Steinbeck, Christoph
A1 - Jung, Nicole
A1 - Bach, Felix
A1 - Neumann, Steffen
A1 - Herres-Pawlis, Sonja
A1 - Liermann, Johannes
A1 - Koepler, Oliver
A1 - Bannwarth, Christoph
A1 - Bender, Theo
A1 - Bocklitz, Thomas
A1 - Boehm, Franziska
A1 - Bonatto Minella, Christian
A1 - Biedermann, Frank
A1 - Brack, Werner
A1 - Cunha, Ricardo
A1 - Czodrowski, Paul
A1 - Eberl, Franziska
A1 - Engel, Thomas
A1 - Engstfeld, Albert
A1 - Fischer, Tillmann G.
A1 - Friedrich, Pascal
A1 - Glorious, Frank
A1 - Golub, Benjamin
A1 - Grathwol, Christoph
A1 - Haag, Rainer
A1 - Hunold, Johannes
A1 - Jacob, Christoph
A1 - Johannsen, Jochen
A1 - Jollife, John
A1 - Kast, Stefan
A1 - Kettner, Carsten
A1 - Kuhn, Stefan
A1 - Lanza, Giacomo
A1 - Lisec, Jan
A1 - Manolikakes, Georg
A1 - Mata, Ricardo
A1 - Meiler, Jens
A1 - Müller, Matthias
A1 - Müller-Pfefferkorn, Ralph
A1 - Ortmeyer, Jochen
A1 - Patterson, Wendy
A1 - Pleiss, Jürgen
A1 - Riedel, Annalisa
A1 - Riedel, Jens
A1 - Schatzschneider, Ulrich
A1 - Schuster, Leonie
A1 - Seeberger, Peter
A1 - Seibert, Johann-Nikolaus
A1 - Stadler, Peter
A1 - Zeitler, Kirsten
T1 - Proposal NFDI4Chem 2025-2030 In the National Research Data Infrastructure (NFDI) — Our Vision: All Chemists Publish FAIR Data
N2 - The first funding period of NFDI4Chem established a robust foundation for research data management (RDM) in chemistry by promoting FAIR data principles and creating a cohesive infrastructure to capture well-annotated data early in the lab through electronic lab notebooks (ELNs) and making this data available in public repositories. Key achievements include standardised data formats and metadata, a federated repository environment, and improved data visibility and accessibility. Training programs and outreach have significantly increased awareness and adoption of best RDM practices. In the second funding period, the consortium aims to advance these achievements by consolidating this infrastructure, developing a model for its sustainable maintenance and operation, and fostering cultural change for its widespread adoption. Goals include ensuring seamless data workflows from laboratories to open repositories, enhancing interoperability, and supporting innovative research through AI-ready data. The work plan is organised into six task areas (TAs). TA1 (Management) provides leadership and supports all other TAs in achieving their objectives. TA2 (Smart Lab) aims to develop a fully digital research environment, including an ELN as a modular platform. This environment will support data collection, management, storage, analysis, and sharing. Integrating devices and external resources will enable seamless data transfer to repositories. TA3 (Repositories) will consolidate the repository ecosystem. The goal is to integrate repositories into a federated system for better accessibility and interoperability, ensuring long-term data availability and sustainability. TA4 (Metadata, Data Standards, and Publication Standards) focuses on developing and promoting new data and metadata standards in an international community process. This includes applying ontologies to create a semantic foundation for linking research data, making it machine-readable and enabling knowledge graphs. TA5 (Community and Training) is dedicated to fostering a cultural shift towards digital chemistry through continuous engagement, collecting requirements, and providing extensive training and support through workshops and open education resources. It will promote FAIR-compliant machine learning applications, embedding RDM into academic curricula to ensure future scientists are well-versed in these practices. TA6 (Synergies and Cross-Cutting Topics) aims to enhance collaboration across NFDI consortia and beyond. This includes developing ontologies, terminology services, the search service, and other cross-cutting solutions, integrating these developments into existing infrastructure, enabling interdisciplinary data harmonisation and fostering machine learning applications.
KW - Research Data Management
KW - FAIR
KW - Chemistry
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648540
DO - https://doi.org/10.3897/rio.11.e177037
SN - 2367-7163
VL - 11
SP - 1
EP - 100
PB - Pensoft Publishers
AN - OPUS4-64854
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Li, Xunyu
A1 - Riedel, Jens
A1 - You, Yi
T1 - Spectrally resolved lithium isotope quantification through high-resolution spatial heterodyne spectrometry
N2 - Isotope ratio determination of lithium is increasingly important in fields ranging from geochemistry to battery diagnostics. While mass spectrometry remains the gold standard, it is costly, cumbersome, and incompatible with portable or inline implementations. Optical emission spectroscopy presents an appealing alternative. However, it is traditionally limited by insufficient spectral resolution or resolving power to separate lithium isotope emissions due to their generalized designs for a wide spectral range; this often requires overly complicated algorithms to overcome the instrumental drawbacks. (79)
Results Here, we report a high-resolution optical method for lithium isotope quantification using a custom-built spatial heterodyne spectrometer (SHS) combined with a reduced-pressure glow discharge source. This configuration yielded a resolving power of 189,000 and enabled baseline resolution of lithium d-line emission features even without the need for preliminary data processing. Despite the inherent low sensitivity of SHS, a detection limit of 30 pmol was achieved using a standard industrial camera. To improve quantitative accuracy, we introduced a deconvolution-based spectral lineshape recovery technique alongside a bootstrapping-based error propagation strategy. These methods facilitated robust isotope ratio calibration using both peak-height and peak-area metrics. The SHS platform additionally enabled the determination of relative transition probabilities, suggesting the feasibility of calibration-free operation.
This work demonstrates the practical viability of SHS for high-specificity, high-resolution lithium isotope analysis. The approach is compact, potentially field-deployable, and adaptable to other elements with optically resolvable isotope shifts, offering a route toward accessible and calibration-free optical isotopic analyses.
KW - SHS
KW - Isotope
KW - High-resolution spectroscopy
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-635139
DO - https://doi.org/10.1016/j.aca.2025.344329
SN - 1873-4324
VL - 1368
SP - 1
EP - 8
PB - Elsevier B.V.
AN - OPUS4-63513
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Mohan, M.
A1 - Prochazka, D.
A1 - You, Yi
A1 - Riedel, Jens
A1 - Gornushkin, Igor
A1 - Rocnakova, I.
A1 - Papula, M.
A1 - Porízka, P.
A1 - Kaizer, J.
T1 - Investigating plasma morphology at material boundaries under varying ambient pressures
N2 - Laser-Induced Breakdown Spectroscopy (LIBS) is a widely used technique for elemental analysis. The analysis of the obtained LIBS spectra generally assumes plasma homogeneity. However, using focused laser beams for interrogation, LIBS probes materials on the microscale and is, thus, prone to artefacts from sample heterogeneities on the micrometer scale. An ablation at a material boundary of two matrices may result in a significant inhomogeneity in the plasma plume, which can severely impact the accuracy of quantitative analysis. Since this propagation of the surface morphology into the plasma plume is driven by the plasma expansion, its final impact is strongly pressure dependent. This study examines the influence of varying ambient pressures (7–1000 mbar) on plasma morphology, spectral characteristics, and key plasma properties such as electron number density at a well-defined Cu–Sn boundary, in comparison with the results obtained using homogeneous alloys. Several approaches of plasma imaging with bandpass filters, spectroscopy, and Radon transform-based 3D reconstruction were employed to analyze elemental distribution, signal-to-noise (SNR) and signal-to-background (SBR) ratios, as well as electron number densities. The 3D reconstructions revealed a pronounced plasma asymmetry for the ablation at the material boundary, in contrast to the near-axial symmetry observed for the ablation of homogeneous alloys. At lower pressures, this distinct elemental separation in plasma persisted, while higher pressures led to an increased collisional mixing and homogenization. SNR and SBR were consistently lower for ablation at the boundary compared to homogeneous samples. These findings highlight how boundary ablation contributes to plasma inhomogeneities in LIBS analysis of heterogeneous materials and emphasize the need to account for these
effects when using LIBS for elemental mapping of fine heterogeneous structures.
KW - Laser-induced breakdown spectroscopy
KW - Plasma inhomogeneity
KW - Plasma tomography
KW - Radon transform
KW - Material boundaries
KW - Ambient pressure effects
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634777
DO - https://doi.org/10.1016/j.talanta.2025.128377
SN - 1873-3573
VL - 295
SP - 1
EP - 8
PB - Elsevier B.V.
AN - OPUS4-63477
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kleinbub, Sherin
A1 - Braymer, Joseph J
A1 - Pfeiffer, Friedhelm
A1 - Dyall-Smith, Mike
A1 - Spirgath, Kristin
A1 - Alfaro-Espinoza, Gabriela
A1 - Koerdt, Andrea
T1 - From Genes to Black Rust: Genomic insights into corrosive methanogens
N2 - Within the past ten years, genetic evidence has been increasing for the direct role that microbes play in microbiologically influenced corrosion (MIC), also known as biocorrosion or biodeterioration. One prominent example is the correlation between the corrosion of metal and the presence of genes encoding an extracellular [NiFe]-hydrogenase (MIC hydrogenase) in the methanogenic archaeon, Methanococcus maripaludis. In this study, DNA sequencing and bioinformatic analysis were used to classify the MIC hydrogenase as belonging to a core set of genes, the MIC core, found so far in Methanococci and Methanobacteria classes of methanogens. Genetic evidence is provided for the mobilization of the MIC core via multiple mechanisms, including a horizontal gene transfer event from Methanobacteria to Methanococci and a newly described MIC-transposon. A detailed comparison of M. maripaludis genomes further pointed to the relevance that cell wall modifications involving N-glycosylation of S-layer proteins and the MIC hydrogenase likely play in methanogen-induced MIC (Mi-MIC). Microscopic analysis of corrosive methanogens encoding the MIC core indicated that Methanobacterium-affiliated strain IM1 can form extensive biofilms on the surface of corrosion products whereas individual cells of M. maripaludis Mic1c10 were only found localized to crevices in the corrosion layer. An updated model of Mi-MIC involving two modes of action is presented, which predicts that the propensity of cells to adhere to iron surfaces directly influences the rate of corrosion due to the localization of the MIC hydrogenase at the metal-microbe interface.
KW - Biocorrosion
KW - Hydrogenases
KW - Metalloprotein
KW - Microbes
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649425
DO - https://doi.org/10.1093/femsmc/xtaf018
SN - 2633-6685
VL - 6
SP - 1
EP - 19
PB - Oxford University Press (OUP)
AN - OPUS4-64942
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Richter, Matthias
A1 - Schühle, Florian
T1 - Experimental determination of 7-day uptake rates for diffusive sampling of 86 volatile and semi-volatile organic compounds relevant for indoor air monitoring and investigation on their sensitivity to exposure time and indoor climate
N2 - This study aimed to experimentally determine uptake rates for 86 indoor relevant volatile and semi-volatile organic compounds (VOC, SVOC) for the passive sampler type Perkin Elmer/Markes™ with Tenax® TA as sorbent, which was used in the German Environmental Survey on Health (GerES VI) carried out by the German Environmental Agency (UBA) in the years 2023-2024. For this purpose, single reference gas atmospheres of 76 pure VOCs (liquid at room temperature) and a group of 10 SVOCs and VOCs (solid at room temperature) were generated using two generation procedures. By exposing the samplers to individual components, it was ruled out that interactions in a mixture have a influence on the uptake rate. Another aspect was to precisely describe the methodology and the resulting uncertainties, as there are gaps in the literature in this regard. The selection of the compounds was based on the findings of the preceding GerES V study for which data was missing or needed to be verified. In each experiment, a number of six passive samplers was exposed to the test gas atmospheres in dynamically operated exposure chambers for seven days. The sensitivity of the uptake rates of a group of 10 selected VOCs to variations in exposure time, ambient temperature, and air humidity in a multi-component reference gas atmosphere was investigated. Here, a decrease in the uptake rate with the exposure time could be observed stabilising from the fifth day of exposure onwards. A significant effect of temperature and humidity on the uptake rate was not apparent. The determined uptake rates exhibit uncertainties of < 20 % for 71 substances, and < 10 % for 51 substances which are also in good agreement with the literature, if already published elsewhere. The quantity of investigated substances, the detailed description of the methodology used to determine the uptake rates complemented by the respective uncertainties, as well as the compilation of comparative data, contribute to a better assessment of the quality and relevance of such data, which had not been published before.
KW - Indoor air quality
KW - Volatile organic compounds
KW - Uptake rates
KW - Passive sampling
KW - Tenax TA
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-629913
DO - https://doi.org/10.1016/j.indenv.2025.100095
VL - 2
IS - 2
SP - 1
EP - 11
PB - Elsevier
AN - OPUS4-62991
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Sun, Yijuan
A1 - Pérez-Padilla, Víctor
A1 - Valderrey, Virginia
A1 - Bell, Jérémy
A1 - Gawlitza, Kornelia
A1 - Rurack, Knut
T1 - Ratiometric detection of perfluoroalkyl carboxylic acids using dual fluorescent nanoparticles and a miniaturised microfluidic platform
N2 - The widespread contamination of soil and water with perfluoroalkyl substances (PFAS) has caused considerable societal and scientific concern. Legislative measures and an increased need for remediation require effective on-site analytical methods for PFAS management. Here we report on the development of a green-fluorescent guanidine-BODIPY indicator monomer incorporated into a molecularly imprinted polymer (MIP) for the selective detection of perfluorooctanoic acid (PFOA). Complexation of PFOA by the indicator, which is mediated by concerted protonation-induced ion pairing-assisted hydrogen bonding, significantly enhances fluorescence in polar organic solvents. The MIP forms as a thin layer on silica nanoparticles doped with tris(bipyridine)ruthenium(II) chloride, which provides an orange emission signal as internal reference, resulting in low measurement uncertainties. Using a liquid-liquid extraction protocol, this assay enables the direct detection of PFOA in environmental water samples and achieves a detection limit of 0.11 µM. Integration into an opto-microfluidic system enables a compact and user-friendly system for detecting PFOA in less than 15 minutes.
KW - PFAS
KW - Molecular imprinting
KW - Microfluidics
KW - Fluorescence
KW - Onsite assay
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650270
DO - https://doi.org/10.1038/s41467-025-66872-9
SN - 2041-1723
VL - 16
IS - 1
SP - 1
EP - 16
PB - Springer Science and Business Media LLC
AN - OPUS4-65027
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Oskoei, Párástu
A1 - Afonso, Rúben
A1 - Bastos, Verónica
A1 - Nogueira, João
A1 - Keller, Lisa-Marie
A1 - Andresen, Elina
A1 - Saleh, Maysoon I.
A1 - Rühle, Bastian
A1 - Resch-Genger, Ute
A1 - Daniel-da-Silva, Ana L.
A1 - Oliveira, Helena
T1 - Upconversion Nanoparticles with Mesoporous Silica Coatings for Doxorubicin Targeted Delivery to Melanoma Cells
N2 - Melanoma is one of the most aggressive skin cancers and requires innovative therapeutic strategies to overcome the limitations of conventional therapies. In this work, upconversion nanoparticles coated with mesoporous silica and functionalized with folic acid (UCNP@mSiO2-FA) were developed as a targeted nanocarrier system for the delivery of doxorubicin (DOX). The UCNPs were synthesized via thermal decomposition, coated with mesoporous silica shells, and functionalized with folic acid (FA) to enable receptor-mediated targeting. DOX was then loaded into the mesoporous silica coating by adsorption, yielding UCNP@mSiO2-FA-DOX. The different UCNPs were characterized for size, composition, colloidal stability, and loading and release of DOX. This comprehensive physicochemical characterization confirmed a high DOX loading efficiency and a slightly increased drug release under acidic conditions, mimicking the tumour microenvironment. In vitro assays using four melanoma cell lines (A375, B16-F10, MNT-1, and SK-MEL-28) revealed an excellent biocompatibility of UCNP@mSiO2-FA and a significantly higher cytotoxicity of UCNP@mSiO2-FA-DOX compared to unloaded UCNPs, in a dose-dependent manner. Cell cycle analysis demonstrated G2/M phase arrest after treatment with UCNP@mSiO2-FA-DOX, confirming its antiproliferative effect. Overall, UCNP@mSiO2-FA-DOX represents a promising nanoplatform for targeted melanoma therapy, combining active tumour targeting and enhanced anticancer efficacy.
KW - Fluorescence
KW - Synthesis
KW - Nano
KW - Particle
KW - Silica
KW - Cell
KW - Uptake
KW - Drug
KW - Characterization
KW - DOX
KW - Imaging
KW - Toxicity
KW - Release
KW - pH
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653596
DO - https://doi.org/10.3390/molecules31010074
SN - 1420-3049
VL - 31
IS - 1
SP - 1
EP - 18
PB - MDPI AG
AN - OPUS4-65359
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Ahmed, A. A. A.
A1 - Alegret, N.
A1 - Almeida, B.
A1 - Alvarez-Puebla, R.
A1 - Andrews, A. M.
A1 - Ballerini, L.
A1 - Barrios-Capuchino, J. J.
A1 - Becker, C.
A1 - Blick, R. H.
A1 - Bonakdar, S.
A1 - Chakraborty, I.
A1 - Chen, X.
A1 - Cheon, J.
A1 - Chilla, G.
A1 - Conceicao, A. L. C.
A1 - Delehanty, J.
A1 - Dulle, M.
A1 - Efros, A. L.
A1 - Epple, M.
A1 - Fedyk, M.
A1 - Feliu, N.
A1 - Feng, M.
A1 - Fernandez-Chacon, R.
A1 - Fernandez-Cuesta, I.
A1 - Fertig, N.
A1 - Förster, S.
A1 - Garrido, J. A.
A1 - George, M.
A1 - Guse, A. H.
A1 - Hampp, N.
A1 - Harberts, J.
A1 - Han, J.
A1 - Heekeren, H. R.
A1 - Hofmann, U. G.
A1 - Holzapfel, M.
A1 - Hosseinkazemi, H.
A1 - Huang, Y.
A1 - Huber, P.
A1 - Hyeon, T.
A1 - Ingebrandt, S.
A1 - Ienca, M.
A1 - Iske, A.
A1 - Kang, Y.
A1 - Kasieczka, G.
A1 - Kim, D.-H.
A1 - Kostarelos, K.
A1 - Lee, J.-H.
A1 - Lin, K.-W.
A1 - Liu, S.
A1 - Liu, X.
A1 - Liu, Y.
A1 - Lohr, C.
A1 - Mailänder, V.
A1 - Maffongelli, L.
A1 - Megahed, S.
A1 - Mews, A.
A1 - Mutas, M.
A1 - Nack, L.
A1 - Nakatsuka, N.
A1 - Oertner, T. G.
A1 - Offenhäusser, A.
A1 - Oheim, M.
A1 - Otange, B.
A1 - Otto, F.
A1 - Patrono, E.
A1 - Peng, B.
A1 - Picchiotti, A.
A1 - Pierini, F.
A1 - Pötter-Nerger, M.
A1 - Pozzi, M.
A1 - Pralle, A.
A1 - Prato, M.
A1 - Qi, B.
A1 - Ramos-Cabrer, P.
A1 - Resch-Genger, Ute
A1 - Ritter, N.
A1 - Rittner, M.
A1 - Roy, S.
A1 - Santoro, F.
A1 - Schuck, N. W.
A1 - Schulz, F.
A1 - Seker, E.
A1 - Skiba, M.
A1 - Sosniok, M.
A1 - Stephan, H.
A1 - Wang, R.
A1 - Wang, T.
A1 - Wegner, Karl David
A1 - Weiss, P. S.
A1 - Xu, M.
A1 - Yang, C.
A1 - Zargarin, S. S.
A1 - Zeng, Y.
A1 - Zhou, Y.
A1 - Zhu, D.
A1 - Zierold, R.
A1 - Parak, W. J.
T1 - Interfacing with the Brain: How Nanotechnology Can Contribute
N2 - Interfacing artificial devices with the human brain is the central goal of neurotechnology. Yet, our imaginations are often limited by currently available paradigms and technologies. Suggestions for brain−machine interfaces have changed over time, along with the available technology.
Mechanical levers and cable winches were used to move parts of the brain during the mechanical age. Sophisticated electronic wiring and remote control have arisen during the electronic age, ultimately leading to plug-and-play computer interfaces. Nonetheless, our brains are so complex that these visions, until recently, largely remained unreachable dreams. The general problem, thus far, is that most of our technology is mechanically and/or electrically engineered, whereas the brain is a living, dynamic entity. As a result, these worlds are difficult to interface with one another. Nanotechnology, which encompasses engineered solid-state objects and integrated circuits, excels at small length scales of single to a few hundred nanometers and, thus, matches the sizes of biomolecules, biomolecular assemblies, and parts of cells. Consequently, we envision nanomaterials and nanotools as opportunities to interface with the brain in alternative ways. Here, we review the existing literature on the use of nanotechnology in brain−machine interfaces and look forward in discussing perspectives and limitations based on the authors’ expertise across a range of complementary disciplines from neuroscience, engineering, physics, and chemistry to biology and medicine, computer science and mathematics, and social science and jurisprudence. We focus on nanotechnology but also include information from related fields when useful and complementary.
KW - Nanoneuro interface
KW - Brain-on-a-chip
KW - Nanostructured interface
KW - Electrode arrays
KW - Neuro-implants
KW - Advanced nanomaterials
KW - Quality assurance
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634893
DO - https://doi.org/10.1021/acsnano.4c10525
SN - 1936-086X
VL - 19
IS - 11
SP - 10630
EP - 10717
PB - ACS Publications
AN - OPUS4-63489
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - El-Dahshan, O.
A1 - Deniaud, A.
A1 - Ling, W. L.
A1 - Wegner, Karl David
A1 - Proux, O.
A1 - Veronesi, G.
A1 - Reiss, P.
T1 - Hydrothermal microwave synthesis of water soluble NIR-II emitting Ag2S quantum dots
N2 - Hydrothermal-based synthetic methods of quantum dots allow for the exploration of reaction parameters normally inaccessible to typical aqueous-based batch reactions, such as elevated reaction temperatures (>100 °C) and reaction pressures above atmospheric pressure. Coupled with microwave heating, new instantaneously bio-compatible quantum dots (QDs) with enhanced opitcal properties can be yielded. As of today, aqueous-based synthetic methods often lag behind their organic analogues in terms of the photophysical properties of the QDs obtained and the ease of modulation of both the emission wavelength and crystallite size. Using a novel microwave-assisted hydrothermal approach, the synthesis of silver sulphide (Ag2S) QDs exhibiting NIR emission spanning the biological transparency windows via modulation of the reaction parameters has been developed. The intrinsic link between their optical and structural properties is explored via laboratory and synchrotron-based structural analysis techniques. Their toxicity towards a hepatic cell line was assessed, and related back to their structure and size. Overall this work aims to not only further develop the repertoire of synthetic methods for the synthesis of Ag2S QDs, but also paves the way for the development of safer QDs suitable for future clinical applications.
KW - Quantum dots
KW - Microwave synthesis
KW - Quality assurance
KW - NIR-II emission
KW - PL quantum yield
KW - Ag2S
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634825
DO - https://doi.org/10.1039/d5nr00052a
SN - 2040-3372
VL - 17
IS - 24
SP - 14637
EP - 14646
PB - RSC
AN - OPUS4-63482
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Habibimarkani, Heydar
A1 - Abram, Sarah-Luise
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Prinz, Carsten
A1 - Sahre, Mario
A1 - Hodoroaba, Vasile-Dan
A1 - Radnik, Jörg
T1 - In-depth analysis of FeNi-based nanoparticles for the oxygen evolution reaction
N2 - This study investigates the effect of varying iron-to-nickel ratios on the catalytic performance of Fe-Ni oxide nanoparticles (NPs) for the oxygen evolution reaction (OER). Addressing the issue of high energy wastage due to large overpotentials in OER, we synthesized and characterized different NP catalysts with different Fe: Ni oxide ratios. Transmission Electron Microscopy (TEM), Energy Dispersive X-ray Spectroscopy (EDS), and X-ray Diffraction (XRD) were employed to determine the morphology, elemental and phase composition of the NPs. Furthermore, in-depth profiling with X-ray Photoelectron Spectroscopy (XPS) and Hard X-ray Photoelectron Spectroscopy (HAXPES) revealed that iron predominantly exists as oxide, while nickel exhibits both metallic and oxidic forms depending on the Fe content. XPS indicated an enrichment of iron at the NP surface, whereas HAXPES and EDS data agreed on the bulk stoichiometry. The assessment of the catalytic activity via cyclic voltammetry (CV) showed that the Fe: Ni ratio of 2:3 exhibited superior performance, characterized by lower overpotential and a smaller Tafel slope.
KW - Fe-Ni oxide
KW - Nanoparticles
KW - OER
KW - Catalytic performance
KW - Cyclic voltammetry
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626932
UR - https://www.nature.com/articles/s41598-025-92720-3
DO - https://doi.org/10.1038/s41598-025-92720-3
VL - 15
IS - 1
SP - 1
EP - 17
PB - Springer Nature
AN - OPUS4-62693
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Meiers, Emelie
A1 - Scholl, Juliane
A1 - Droas, Morten
A1 - Vogel, Christian
A1 - Leube, Peter
A1 - Sommerfeld, Thomas
A1 - Bagheri, A.
A1 - Adam, Christian
A1 - Seubert, A.
A1 - Koch, Matthias
T1 - Development and evaluation of analytical strategies for the monitoring of per- and polyfluoroalkyl substances from lithium-ion battery recycling materials
N2 - Per- and polyfluoroalkyl substances (PFAS) are well-known as “forever chemicals” and persistent pollutants released by different anthropogenic sources. The potential release of PFAS from accumulating electronic waste and lithium-ion battery (LIB) recycling activities has gained increasing attention in the past years. This creates a need for analytical methods tailored for the determination of PFAS out of environmental matrices related to the named activities or directly out of the concerned materials. In this work, analytical strategies for the monitoring of PFAS in LIB recycling materials were explored for a group of legacy perfluoro sulfonic- and carbonic acids (PFSA and PFCA) and of fluorinated sulfonylimides suspected to be LIB electrolyte ingredients. These analytical strategies comprehend PFAS target approaches with a herein optimized liquid chromatography tandem mass spectrometry (LC–MS/MS) method equipped with a HILIC (hydrophilic interaction liquid chromatography) column in combination with the TOP (total oxidizable precursor) assay and an adapted sample preparation method for high-matrix LIB recycling materials. The validated target method was applied to a set of LIB recycling materials: end-of-life batteries, black masses from hydrometallurgical recycling, and gas absorption solutions from thermal treatment of black masses as part of the recycling procedure. Investigation results show that the LIB industry can be connected to the release of both “LIB”-PFAS, such as the target sulfonylimides, and “already-legacy” PFAS, like the PFSA and PFCA. Especially, the presence of trifluoroacetic acid (TFA) as an emerging pollutant in every investigated LIB material type underlines the threat of PFAS emissions from LIB waste and recycling activities.
KW - Per- and polyfluoroalkyl substances (PFAS)
KW - Battery
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647015
DO - https://doi.org/10.1007/s00216-025-06165-8
SN - 1618-2642
VL - 417
SP - 6567
EP - 6583
PB - Springer Science and Business Media LLC
AN - OPUS4-64701
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -