TY - JOUR
A1 - Bayerlein, Bernd
A1 - Schilling, Markus
A1 - Birkholz, Henk
A1 - Jung, Matthias
A1 - Waitelonis, Jörg
A1 - Mädler, Lutz
A1 - Sack, Harald
T1 - PMD Core Ontology: Achieving semantic interoperability in materials science
N2 - Knowledge representation in the Materials Science and Engineering (MSE) domain is a vast and multi-faceted challenge: Overlap, ambiguity, and inconsistency in terminology are common. Invariant (consistent) and variant (context-specific) knowledge are difficult to align cross-domain. Generic top-level semantic terminology often is too abstract, while MSE domain terminology often is too specific. In this paper, an approach how to maintain a comprehensive MSE-centric terminology composing a mid-level ontology–the Platform MaterialDigital Core Ontology (PMDco)–via MSE community-based curation procedures is presented. The illustrated findings show how the PMDco bridges semantic gaps between high-level, MSE-specific, and other science domain semantics. Additionally, it demonstrates how the PMDco lowers development and integration thresholds. Moreover, the research highlights how to fuel it with real-world data sources ranging from manually conducted experiments and simulations with continuously automated industrial applications.
KW - Ontology
KW - Materials science and engineering
KW - Knowledge representation
KW - Reproducibility
KW - Semantic interoperability
KW - Semantic data integration
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-592948
DO - https://doi.org/10.1016/j.matdes.2023.112603
SN - 0264-1275
VL - 237
SP - 1
EP - 12
PB - Elsevier
CY - Amsterdam
AN - OPUS4-59294
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Flierl, Lukas
A1 - Rienitz, Olaf
A1 - Vogl, Jochen
A1 - Pramann, Axel
T1 - An advancement of the gravimetric isotope mixture method rendering the knowledge of the spike purity superfluous
N2 - The gravimetric isotope mixture method is the primary method to determine absolute isotope ratios. This method, however, depends on the existence of suitable spike materials and knowledge of their purities. Determining the purity of the spikes can be tedious and labour-intensive. In this publication, an advancement of the gravimetric isotope mixture method, rendering the determination of the purity of the spike materials unnecessary, is presented. The advancement combines mass spectrometry and ion chromatography leading to an approach being independent of the purity of the spike materials. In the manuscript the mathematical background and the basic idea of the novel approach are described using a two-isotope system like copper or lithium.
KW - Isotope amount ratios
KW - Metrology
KW - Mass spectrometry
KW - Ion chromatography
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608726
DO - https://doi.org/10.1007/s00216-024-05465-9
SP - 5325
EP - 5333
PB - Springer Science and Business Media LLC
AN - OPUS4-60872
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Stolar, Tomislav
A1 - Pearce, Ben K.D.
A1 - Etter, Martin
A1 - Truong, Khai-Nghi
A1 - Ostojić, Tea
A1 - Krajnc, Andraž
A1 - Mali, Gregor
A1 - Rossi, Barbara
A1 - Molčanov, Krešimir
A1 - Lončarić, Ivor
A1 - Meštrović, Ernest
A1 - Užarević, Krunoslav
A1 - Grisanti, Luca
T1 - Base-pairing of uracil and 2,6-diaminopurine: from cocrystals to photoreactivity
N2 - We show that the non-canonical nucleobase 2,6-diaminopurine (D) spontaneously base pairs with uracil (U) in water and the solid state without the need to be attached to the ribose-phosphate backbone. Depending on the reaction conditions, D and U assemble in thermodynamically stable hydrated and anhydrated D-U base-paired cocrystals. Under UV irradiation, an aqueous solution of D-U base-pair undergoes photochemical degradation, while a pure aqueous solution of U does not. Our simulations suggest that D may trigger the U photodimerization and show that complementary base-pairing modifies the photochemical properties of nucleobases, which might have implications for prebiotic chemistry.
KW - Mechanochemistry
KW - In situ monitoring
KW - Cocrystals
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608622
DO - https://doi.org/10.1016/j.isci.2024.109894
VL - 27
IS - 6
SP - 1
EP - 14
PB - Elsevier Inc.
AN - OPUS4-60862
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Davison, Nathan
A1 - Hemingway, Jack M.
A1 - Wills, Corinne
A1 - Stolar, Tomislav
A1 - Waddell, Paul G.
A1 - Dixon, Casey M.
A1 - Barron, Luke
A1 - Dawson, James A.
A1 - Lu, Erli
T1 - Mechanochemical Synthesis of a Sodium Anion Complex [Na+(2,2,2-cryptand)Na–] and Studies of Its Reactivity: Two-Electron and One-Electron Reductions
N2 - Group 1 metal molecular chemistry is dominated by a +1 oxidation state, while a 0 oxidation state is widespread in the metals. A more exotic, yet still available, oxidation state of group 1 metal is −1, i.e., alkalide. Reported as early as the 1970s, the alkalides appear in every modern inorganic chemistry textbook as an iconic chemical curiosity, yet their reactivity remains unexplored. This is due to their synthetic hurdles. In this work, we report the first facile synthesis of the archetypical alkalide complex, [Na+(2,2,2-cryptand)Na–], which allows us to unveil a versatile reactivity profile of this once exotic species.
KW - Mechanochemistry
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608632
DO - https://doi.org/10.1021/acs.inorgchem.4c02914
VL - 63
IS - 32
SP - 15247
EP - 15258
PB - American Chemical Society (ACS)
AN - OPUS4-60863
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Giv, Ali Nemati
A1 - Asante, Bright
A1 - Yan, Libo
A1 - Kasal, Bohumil
T1 - Shear performance and durability of adhesively bonded spruce wood-concrete composite joints: Effects of indoor and outdoor environmental conditions, mechanical load, and their coupled effect
N2 - A long-term study was conducted on double-lap spruce wood-concrete joints to investigate their shear strength and stiffness over a 12-month period. These joints were manufactured using both wet and dry processes, each incorporating two adhesive types for bonding the wood to the concrete: a brittle epoxy and a ductile polyurethane (PUR). The experimental design exposed the joints to three specific long-term environments: (1) outdoor exposure, (2) indoor conditions with applied load, and (3) outdoor conditions with applied load. The wood concrete joints exposed to outdoor conditions were subjected to destructive shear testing at intervals of 0 (serving as the reference sample), 2, 4, 6, and 12 months, respectively. For joints subjected to both indoor and outdoor conditions with shear loading, the shear deformation of joints was monitored continuously over the 12 months before performing the destructive tests. A gradual reduction in the shear stiffness and strength of dry joints (produced using the dry bond method) exposed to outdoor conditions was observed over a 12-month period, primarily due to bond failure at the concrete-adhesive interface. The wet joints exhibited no degradation in shear stiffness and strength across long-term conditions over the same period. The bond failure observed in dry joints was predominantly associated with stresses arising from dimensional changes in the wood. No degradation was found in the cross-linking density of the adhesive or in the concrete’s compressive stiffness and strength.
KW - Adhesively bonded joints
KW - Long-term study
KW - Ductile PUR
KW - Brittle epoxy
KW - Outdoor condition
KW - Mechanical load
KW - Indoor condition
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608878
DO - https://doi.org/10.1016/j.conbuildmat.2024.136905
VL - 436
SP - 1
EP - 22
PB - Elsevier BV
AN - OPUS4-60887
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Wegner, Karl David
A1 - Hildebrandt, N.
T1 - Near infrared quantum dots for biosensing and bioimaging
N2 - Quantum dots (QDs) possess unique optoelectronic properties, which make them very attractive to be used as optical probes in biosensing and bioimaging applications. The strong absorbance and light scattering of biological compounds like tissue and blood in the visible range pose a problem. However, if optical probes emitting in the near-infrared (NIR) range are used, scattering, absorption, and autofluorescence of biological components are strongly reduced. This allows for an increased light penetration depth and higher spatial and temporal resolution for the investigation of biological processes. The synthesis and application of NIR emitting QDs is a fast-growing research field and the benefits of using QDs were demonstrated for a variety of applications, such as photoelectrochemical biosensor, in vivo vascular imaging, and fluorescence-guided surgery. This article reviews the state-of-the-art developments in the preparation of NIR/IR QDs and highlights the latest research about their utilization in biosensing and bioimaging applications.
KW - Quantum dots
KW - Near-infrared
KW - Biosensing
KW - Bioimaging
KW - NIR-II / SWIR
KW - Advanced nanomaterials
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-609708
SN - 0165-9936
DO - https://doi.org/10.1016/j.trac.2024.117922
VL - 180
SP - 1
EP - 19
PB - Elsevier B.V.
AN - OPUS4-60970
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Schmitt, M.
A1 - Casperson, Ralf
A1 - Baensch, F.
A1 - Müller, D.
T1 - Nationale, europäische und internationale Normung in der zerstörungsfreien Prüfung
N2 - Normung und Standardisierung in der zerstörungsfreien Prüfung finden auf nationaler, europäischer und internationaler Ebene statt. Die Übernahme von Leitungsfunktionen in diesen Gremien erzeugt die Möglichkeit der Steuerung von Themen und Inhalten der relevanten Normen. Das persönliche Engagement der Fachexpert*innen in den nationalen Gremien und den europäischen und internationalen Arbeitsgruppen ist ein zusätzlicher Faktor für die inhaltliche Korrektheit und die inhaltliche Ausrichtung der Norm. Denn wer nicht normt, wird genormt und muss letztlich Normen anwenden, die andere entsprechend ihrer eigenen Interessen gestaltet haben. Voraussetzung für die Teilnahme in europäischen und internationalen Normungsgremien ist die Mitwirkung in den entsprechenden DINSpiegelgremien, welche die europäischen (CEN) und internationalen (ISO) Aktivitäten spiegeln und die Fachexpert*innen für die Mitarbeit autorisieren.
Auf internationaler Ebene findet die Normungsarbeit in den technischen Komitees ISO/TC 135 “Non-destructive testing” und ISO/TC 44/SC 5 “Testing and inspection of welds” und ihren Arbeitsgruppen statt. Das europäische Pendant ist das CEN/TC 138 “Zerstörungsfreie Prüfverfahren” mit seinen Arbeitsgremien. Die DINSpiegelgremien sind für die deutsche Mitarbeit in diesen Gremien und die inhaltliche Bewertung der Norm-Entwürfe zuständig.
T2 - DGZfP Jahrestagung 2024
CY - Osnabrück, Germany
DA - 05.05.2024
KW - Normung
KW - Zerstörungsfreie Prüfung
KW - Qualifizierung
KW - Qualitätssicherung
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600726
DO - https://doi.org/10.58286/29496
IS - 5
SP - 1
EP - 6
AN - OPUS4-60072
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Fischer, Janina
A1 - Kaufmann, Jan Ole
A1 - Weller, Michael G.
T1 - Simple Determination of Affinity Constants of Antibodies by Competitive Immunoassays
N2 - The affinity constant, also known as the equilibrium constant, binding constant, equilibrium association constant, or the reciprocal value, the equilibrium dissociation constant (Kd), can be considered as one of the most important characteristics for any antibody–antigen pair. Many methods based on different technologies have been proposed and used to determine this value. However, since a very large number of publications and commercial datasheets do not include this information, significant obstacles in performing such measurements seem to exist. In other cases where such data are reported, the results have often proved to be unreliable. This situation may indicate that most of the technologies available today require a high level of expertise and effort that does not seem to be available in many laboratories. In this paper, we present a simple approach based on standard immunoassay technology that is easy and quick to perform. It relies on the effect that the molar IC50 approaches the Kd value in the case of infinitely small concentrations of the reagents. A two-dimensional dilution of the reagents leads to an asymptotic convergence to Kd. The approach has some similarity to the well-known checkerboard titration used for the optimization of immunoassays. A well-known antibody against the FLAG peptide, clone M2, was used as a model system and the results were compared with other methods. This approach could be used in any case where a competitive assay is available or can be developed. The determination of an affinity constant should belong to the crucial parameters in any quality control of antibody-related products and assays and should be mandatory in papers using immunochemical protocols.
N2 - Die Affinitätskonstante, auch bekannt als Gleichgewichtskonstante, Bindungskonstante, Gleichgewichtsassoziationskonstante oder der reziproke Wert, die Gleichgewichtsdissoziationskonstante (Kd), kann als eine der wichtigsten Eigenschaften für jedes Antikörper-Antigen-Paar angesehen werden. Zur Bestimmung dieses Wertes wurden zahlreiche Methoden auf der Grundlage verschiedener Technologien vorgeschlagen und verwendet. Da jedoch eine sehr große Anzahl von Veröffentlichungen und kommerziellen Datenblätter diese Information nicht enthalten, scheint es erhebliche Hindernisse bei der Durchführung solcher Messungen zu geben. In anderen Fällen, in denen solche Daten angegeben werden, haben sich die Ergebnisse häufig als unzuverlässig erwiesen. Diese Situation könnte darauf hindeuten, dass die meisten der heute verfügbaren Technologien ein hohes Maß an Fachwissen und Aufwand erfordern, das in vielen Labors nicht vorhanden zu sein scheint. In diesem Beitrag stellen wir einen einfachen Ansatz vor, der auf der Standard-Immunoassay-Technologie basiert und einfach und schnell durchführbar ist. Er beruht auf dem Effekt, dass sich der molare IC50 bei unendlich kleinen Reagenz-Konzentrationen dem Kd-Wert annähert. Eine zweidimensionale Verdünnung der Reagenzien führt zu einer asymptotischen Konvergenz zu Kd. Der Ansatz hat eine gewisse Ähnlichkeit mit der bekannten Checkerboard-Titration, die zur Optimierung von Immunoassays verwendet wird. Ein bekannter Antikörper gegen das FLAG-Peptid, Klon M2, wurde als Modellsystem verwendet, und die Ergebnisse wurden mit anderen Methoden verglichen. Dieser Ansatz kann überall dort angewendet werden, wo ein kompetitiver Assay verfügbar ist oder entwickelt werden kann. Die Bestimmung einer Affinitätskonstante sollte zu den entscheidenden Parametern bei der Qualitätskontrolle von Antikörperprodukten und -assays gehören und in Arbeiten, die immunchemische Protokolle verwenden, obligatorisch sein.
KW - ELISA
KW - Competitive immunoassay
KW - IC50
KW - Test midpoint
KW - Point of inflection
KW - Equilibrium constant
KW - Dissociation constant
KW - Binding strength
KW - Antibody antigen complex
KW - Bio-interaction
KW - SPR
KW - Surface-plasmon resonance
KW - FLAG peptide
KW - Clone M2
KW - Antibody quality
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605607
DO - https://doi.org/10.3390/mps7030049
SN - 2409-9279
VL - 7
IS - 3
SP - 1
EP - 11
PB - MDPI
CY - Basel
AN - OPUS4-60560
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Sunder, S.
A1 - Jauregui Rozo, Maria
A1 - Inasu, S.
A1 - Schartel, Bernhard
A1 - Ruckdäschel, H.
T1 - A systematic investigation of the transfer of polyphosphate/inorganic silicate flame retardants from epoxy resins to layered glass fiber-reinforced composites and their post-furnace flexural properties
N2 - The systematic transfer of solvent-free, additive flame retardant (FR) formulations from epoxy resins to glass fiber-reinforced epoxy composites (GFRECs) through prepregs is difficult. Additionally, obtaining data on their post-fire mechanics is often challenging. Utilizing melamine polyphosphate (MPP), ammonium polyphosphate (APP), and silane-coated ammonium polyphosphate (SiAPP) FRs with low-melting inorganic silicates (InSi) in an 8:2 proportion and 10% loading by weight in a diglycidyl ether of bisphenol A (DGEBA) resin, a systematic investigation of the processing properties, room-temperature mechanics, and temperature-based mechanics of the systems was performed. The resin was cured with a dicyandiamide hardener (DICY) and a urone accelerator. The results revealed no substantial impact of these FRs at the current loading on the resin's glass transition temperature or processability. However, the fire residues from cone calorimetry tests of the composites containing FRs were found to be only 15-20% of the thickness of the resins, implying a suppression of intumescence upon transfer. At room temperature, the decrease in the flexural modulus for the composites containing FRs was negligible. Exposure of the composites in a furnace at 400°C as a preliminary study before ignition tests was shown to cause significant flexural moduli reductions after 2.5 min of exposure and complete delamination after 3 min making further testing unviable. This study emphasizes the need for future research on recovering modes of action upon transfer of FR formulations from resins to composites. Based on the challenges outlined in this investigation, sample adaptation methods for post-fire analysis will be developed in a future study.
KW - DGEBA
KW - Prepregs
KW - Glass fiber-reinforced composites
KW - Post-fire testing
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605239
DO - https://doi.org/10.1002/pc.28416
SN - 1548-0569
SN - 0272-8397
VL - 45
IS - 10
SP - 9389
EP - 9406
PB - Wiley
AN - OPUS4-60523
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Simon, Franz-Georg
A1 - Scholz, Philipp
T1 - Sequential Extraction of Incineration Bottom Ash: Conclusions Regarding Ecotoxicity
N2 - The classification of incineration bottom ash (IBA) as hazardous or non-hazardous according to ecotoxic hazard property HP14 is still under debate. In this context, only the compounds of Zn and Cu with the hazard statement code H410 are of relevance. With an approach based on the grouping of substances, it was shown that such substances are either readily water-soluble or slightly and sparingly soluble. The concentrations of readily soluble Cu and Zn compounds in IBA are far below the cut-off value of 0.1%. Slightly and sparingly soluble Zn and Cu compounds could be quantified in the first fraction of a four-step sequential extraction procedure. With the results from the complete sequence, the dimensionless synthesis toxicity index (STI) was calculated and was in the range of 494 to 1218 for the four investigated IBA samples. It was concluded that IBA can usually be classified as non-hazardous.
KW - Incineration bottom ash
KW - Hazard properties
KW - Ecotoxicity
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605262
DO - https://doi.org/10.3390/app14135541
SN - 2076-3417
VL - 14
IS - 13
SP - 1
EP - 12
PB - MDPI
CY - Basel
AN - OPUS4-60526
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -