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 - Mi, W. A1 - Josephs, R. D. A1 - Melanson, J. E. A1 - Dai, X. A1 - Wang, Y. A1 - Zhai, R. A1 - Chu, Z. A1 - Fang, X. A1 - Thibeault, M.-P. A1 - Stocks, B. B. A1 - Meija, J. A1 - Bedu, M. A1 - Martos, G. A1 - Westwood, S. A1 - Wielgosz, R. I. A1 - Liu, Q. A1 - Teo, T. L. A1 - Liu, H. A1 - Tan, Y. J. A1 - Öztuğ, M. A1 - Saban, E. A1 - Kinumi, T. A1 - Saikusa, K. A1 - Schneider, Rudolf A1 - Weller, Michael G. A1 - Konthur, Zoltán A1 - Jaeger, Carsten A1 - Quaglia, M. A1 - Mussell, C. A1 - Drinkwater, G. A1 - Giangrande, C. A1 - Vaneeckhoutte, H. A1 - Boeuf, A. A1 - Delatour, V. A1 - Lee, J. E. A1 - O'Connor, G. A1 - Ohlendorf, R. A1 - Henrion, A. A1 - Beltrão, P. J. A1 - Naressi Scapin, S. M. A1 - Sade, Y. B. T1 - PAWG Pilot Study on Quantification of SARS-CoV-2 Monoclonal Antibody - Part 1 N2 - Under the auspices of the Protein Analysis Working Group (PAWG) of the Comité Consultatif pour la Quantité de Matière (CCQM) a pilot study, CCQM-P216, was coordinated by the Chinese National Institute of Metrology (NIM), National Research Council of Canada (NRC) and the Bureau International des Poids et Mesures (BIPM). Eleven Metrology Institutes or Designated Institutes and the BIPM participated in the first phase of the pilot study (Part 1). The purpose of this pilot study was to develop measurement capabilities for larger proteins using a recombinant humanized IgG monoclonal antibody against Spike glycoprotein of SARS-CoV-2 (Anti-S IgG mAb) in solution. The first phase of the study was designed to employ established methods that had been previously studies by the CCQM Protein Analysis Working Group, involving the digestion of protein down to the peptide or amino acid level. The global coronavirus pandemic has also led to increased focus on antibody quantitation methods. IgG are among the immunoglobulins produced by the immune system to provide protection against SARS-CoV-2. Anti-SARS-CoV-2 IgG can therefore be detected in samples from affected patients. Antibody tests can show whether a person has been exposed to the SARS-CoV-2, and whether or not they potentially show lasting immunity to the disease. With the constant spread of the virus and the high pressure of re-opening economies, antibody testing plays a critical role in the fight against COVID-19 by helping healthcare professionals to identify individuals who have developed an immune response, either via vaccination or exposure to the virus. Many countries have launched large-scale antibody testing for COVID-19. The development of measurement standards for the antibody detection of SARS-CoV-2 is critically important to deal with the challenges of the COVID-19 pandemic. In this study, the SARS-CoV-2 monoclonal antibody is being used as a model system to build capacity in methods that can be used in antibody quantification. Amino acid reference values with corresponding expanded uncertainty of 36.10 ± 1.55 mg/kg, 38.75 ± 1.45 mg/kg, 18.46 ± 0.78 mg/kg, 16.20 ± 0.67 mg/kg and 30.61 ± 1.30 mg/kg have been established for leucine, valine, phenylalanine, isoleucine and proline, respectively. Agreement between nearly all laboratories was achieved for the amino acid analysis within 2 to 2.5 %, with one participant achieving markedly higher results due to a technical issue found in their procedure; this result was thus excluded from the reference value calculations. The relatively good agreement within a laboratory between different amino acids was not dissimilar to previous results for peptides or small proteins, indicating that factors such as hydrolysis conditions and calibration procedures could be the largest sources of variability. Peptide reference values with corresponding expanded uncertainty of 4.99 ± 0.28 mg/kg and 6.83 ± 0.65 mg/kg have been established for ALPAPIEK and GPSVFPLAPSSK, respectively. Not surprisingly due to prior knowledge from previous studies on peptide quantitation, agreement between laboratories for the peptide-based analysis was slightly poorer at 3 to 5 %, with one laboratory's result excluded for the peptide GPSVFPLAPSSK. Again, this level of agreement was not significantly poorer than that achieved in previous studies with smaller or less complex proteins. To reach the main text of this paper, click on Final Report. KW - Antibody quantification KW - Amino acid analysis KW - Peptide analysis KW - Round robin test PY - 2021 DO - https://doi.org/10.1088/0026-1394/59/1a/08001 VL - 59 IS - 1A SP - 08001 AN - OPUS4-54972 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Westwood, S. A1 - Josephs, R. A1 - Choteau, T. A1 - Daireaux, A. A1 - Stoppacher, N. A1 - Wielgosz, R. A1 - Davies, S. A1 - do Rego, E. A1 - Wollinger, W. A1 - Garrido, B. A1 - Fernandes, J. A1 - Lima, J. A1 - Oliveira, R. A1 - de Sena, R. A1 - Windust, A. A1 - Huang, T. A1 - Dai, X. A1 - Quan, C. A1 - He, H. A1 - Zhang, W. A1 - Wei, C. A1 - Li, N. A1 - Gao, D. A1 - Liu, Z. A1 - Lo, M. A1 - Wong, W. A1 - Pfeifer, Dietmar A1 - Koch, Matthias A1 - Dorgerloh, Ute A1 - Rothe, Robert A1 - Philipp, Rosemarie A1 - Hanari, N. A1 - Rezali, M. A1 - Arzate, C. A1 - Berenice, M. A1 - Caballero, V. A1 - Osuna, M. A1 - Krylov, A. A1 - Kharitonov, S. A1 - Lopushanskaya, E. A1 - Liu, Q. A1 - Lin, T. A1 - Fernandes-Whaley, M. A1 - Quinn, L. A1 - Nhlapo, N. A1 - Prevoo-Franzsen, D. A1 - Archer, M. A1 - Kim, B. A1 - Baek, S. A1 - Lee, S. A1 - Lee, J. A1 - Marbumrung, S. A1 - Kankaew, P. A1 - Chaorenpornpukdee, K. A1 - Chaipet, T. A1 - Shearman, K. A1 - Gören, A. A1 - Gündüz, S. A1 - Yilmaz, H. A1 - Un, I. A1 - Bilsel, G. A1 - Clarkson, C. A1 - Bedner, M. A1 - Camara, J. A1 - Lang, B. A1 - Lippa, K. A1 - Nelson, M. A1 - Toman, B. A1 - Yu, L. T1 - Mass fraction assignment of folic acid in a high purity material - CCQM-K55.d (Folic acid) Final Report N2 - The comparison required the assignment of the mass fraction of folic acid present as the main component in the comparison sample. Performance in the comparison is representative of a laboratory's measurement capability for the purity assignment of organic compounds of medium structural complexity [molecular weight range 300–500] and high polarity (pKOW < −2). Methods used by the eighteen participating NMIs or DIs were based on a mass balance (summation of impurities) or qNMR approach, or the combination of data obtained using both methods. The qNMR results tended to give slightly lower values for the content of folic acid, albeit with larger associated uncertainties, compared with the results obtained by mass balance procedures. Possible reasons for this divergence are discussed in the report, without reaching a definitive conclusion as to their origin. The comparison demonstrates that for a structurally complex polar organic compound containing a high water content and presenting a number of additional analytical challenges, the assignment of the mass fraction content property value of the main component can reasonably be achieved with an associated relative standard uncertainty in the assigned value of 0.5% KW - CCQM key comparison KW - Purity assessment KW - Folic acid PY - 2018 UR - https://www.bipm.org/utils/common/pdf/final_reports/QM/K55/CCQM-K55.d.pdf DO - https://doi.org/10.1088/0026-1394/55/1A/08013 VL - 55 IS - Technical Supplement, 2018 SP - 08013, 1 EP - 38 PB - Institute of Physics Publishing (IOP) ; Bureau International des Poids et Mesures AN - OPUS4-44999 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Westwood, S. A1 - Josephs, R. A1 - Choteau, T. A1 - Daireaux, A. A1 - Wielgosz, R. A1 - Davies, S. A1 - Moad, M. A1 - Chan, B. A1 - Munoz, A. A1 - Conneely, P. A1 - Ricci, M. A1 - Do Rego, E.C.P. A1 - Garrido, B.C. A1 - Violante, F.G.M. A1 - Windust, A. A1 - Dai, X. A1 - Huang, T. A1 - Zhang, W. A1 - Su, F. A1 - Quan, C. A1 - Wang, H. A1 - Lo, M. A1 - Wong, W. A1 - Gantois, F. A1 - Lalerle, B. A1 - Dorgerloh, Ute A1 - Koch, Matthias A1 - Klyk-Seitz, Urszula-Anna A1 - Pfeifer, Dietmar A1 - Philipp, Rosemarie A1 - Piechotta, Christian A1 - Recknagel, Sebastian A1 - Rothe, Robert A1 - Yamazaki, T. A1 - Zakaria, O. B. A1 - Castro, E. A1 - Balderas, M. A1 - González, N. A1 - Salazar, C. A1 - Regalado, L. A1 - Valle, E. A1 - Rodríguez, L. A1 - Laguna, L.Á.. A1 - Ramírez, P. A1 - Avila, M. A1 - Ibarra, J. A1 - Valle, L. A1 - Arce, M. A1 - Mitani, Y. A1 - Konopelko, L. A1 - Krylov, A. A1 - Lopushanskaya, E. A1 - Lin, T.T. A1 - Liu, Q. A1 - Kooi, L.T. A1 - Fernandes-Whaley, M. A1 - Prevoo-Franzsen, D. A1 - Nhlapo, N. A1 - Visser, R. A1 - Kim, B. A1 - Lee, H. A1 - Kankaew, P. A1 - Pookrod, P. A1 - Sudsiri, N. A1 - Shearman, K. A1 - Gören, A.C. A1 - Bilsel, G. A1 - Yilmaz, H. A1 - Bilsel, M. A1 - Cergel, M. A1 - Coskun, F.G. A1 - Uysal, E. A1 - Gündüz, S. A1 - Ün, I. A1 - Warren, J. A1 - Bearden, D.W. A1 - Bedner, M. A1 - Duewer, D.L. A1 - Lang, B.E. A1 - Lippa, K.A. A1 - Schantz, M.M. A1 - Sieber, J.R. T1 - Final report on key comparison CCQM-K55.c (L-(+)-Valine): Characterization of organic substances for chemical purity N2 - KEY COMPARISON Under the auspices of the Organic Analysis Working Group (OAWG) of the Comité Consultatif pour la Quantité de Matière (CCQM) a key comparison, CCQM K55.c, was coordinated by the Bureau International des Poids et Mesures (BIPM) in 2012. Twenty National Measurement Institutes or Designated Institutes and the BIPM participated. Participants were required to assign the mass fraction of valine present as the main component in the comparison sample for CCQM-K55.c. The comparison samples were prepared from analytical grade L-valine purchased from a commercial supplier and used as provided without further treatment or purification. Valine was selected to be representative of the performance of a laboratory's measurement capability for the purity assignment of organic compounds of low structural complexity [molecular weight range 100–300] and high polarity (pKOW > –2). The KCRV for the valine content of the material was 992.0 mg/g with a combined standard uncertainty of 0.3 mg/g. The key comparison reference value (KCRV) was assigned by combination of KCRVs assigned from participant results for each orthogonal impurity class. The relative expanded uncertainties reported by laboratories having results consistent with the KCRV ranged from 1 mg/g to 6 mg/g when using mass balance based approaches alone, 2 mg/g to 7 mg/g using quantitative 1H NMR (qNMR) based approaches and from 1 mg/g to 2.5 mg/g when a result obtained by a mass balance method was combined with a separate qNMR result. The material provided several analytical challenges. In addition to the need to identify and quantify various related amino acid impurities including leucine, isoleucine, alanine and a-amino butyrate, care was required to select appropriate conditions for performing Karl Fischer titration assay for water content to avoid bias due to in situ formation of water by self-condensation under the assay conditions. It also proved to be a challenging compound for purity assignment by qNMR techniques. There was overall excellent agreement between participants in the identification and the quantification of the total and individual related structure impurities, water content, residual solvent and total non-volatile content of the sample. Appropriate technical justifications were developed to rationalise observed discrepancies in the limited cases where methodology differences led to inconsistent results. The comparison demonstrated that to perform a qNMR purity assignment the selection of appropriate parameters and an understanding of their potential influence on the assigned value is critical for reliable implementation of the method, particularly when one or more of the peaks to be quantified consist of complex multiplet signals. PY - 2014 DO - https://doi.org/10.1088/0026-1394/51/1A/08010 SN - 0026-1394 SN - 1681-7575 VL - 51 SP - 08010, 1 EP - 44 PB - Inst. of Physics Publ. CY - Bristol AN - OPUS4-31072 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kraehnert, R. A1 - Ortel, Erik A1 - Paul, B. A1 - Eckhardt, B. A1 - Kanis, M. A1 - Liu, R. A1 - Antoniou, A. T1 - Electrochemically dealloyed platinum with hierarchical pore structure as highly active catalytic coating N2 - Micro structured reactors are attractive candidates for further process intensification in heterogeneous catalysis. However, they require catalytic coatings with significantly improved space-time yields compared to traditional supported catalysts. We report the facile synthesis of homogeneous nanocrystalline Pt coatings with hierarchical pore structure by electrochemical dealloying of amorphous sputter-deposited platinum silicide layers. Thickness, porosity and surface composition of the catalysts can be controlled by the dealloying procedure. XPS analysis indicates that the catalyst surface is primarily composed of metallic Pt. Catalytic tests in gas-phase hydrogenation of butadiene reveal the typical activity, selectivity and activation energy of nanocrystalline platinum. However, space time yields are about 13 to 200 times higher than values reported for Pt-based catalysts in literature. The highly open metallic pore structure prevents heat and mass transport limitations allowing for very fast reactions and reasonable stability at elevated temperatures. KW - Pt catalysts KW - Pt–Si layers KW - Scanning Electron Microscopy (SEM) KW - Transmission Electron Microscopy (TEM) KW - pore structure KW - electrochemical dealloying PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-351393 DO - https://doi.org/10.1039/C4CY00851K SN - 2044-4753 SN - 2044-4761 VL - 5 IS - 1 SP - 206 EP - 216 PB - RSC Publ. CY - Cambridge AN - OPUS4-35139 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Qu, R. A1 - Maaß, Robert A1 - Liu, Z. A1 - Tönnies, D. A1 - Tian, L. A1 - Ritchie, R. A1 - Zhang, Z. A1 - Volkert, A. T1 - Flaw-insentive fracture of a micrometer-sized brittle metallic glass N2 - Brittle materials, such as oxide glasses, are usually very sensitive to flaws, giving rise to a macroscopic fracture strength that is much lower than that predicted by theory. The same applies to metallic glasses (MGs), with the important difference that these glasses can exhibit certain plastic strain prior to catas- trophic failure. Here we consider the strongest metallic alloy known, a ternary Co 55 Ta 10 B 35 MG. We show that this macroscopically brittle glass is flaw-insensitive at the micrometer scale. This discovery emerges when testing pre-cracked specimens with self-similar geometries, where the fracture stress does not de- crease with increasing pre-crack size. The fracture toughness of this ultra-strong glassy alloy is further shown to increase with increasing sample size. Both these findings deviate from our classical under- standing of fracture mechanics, and are attributed to a transition from toughness-controlled to strength- controlled fracture below a critical sample size. KW - Metallic glass KW - Fracture toughness KW - Size effect KW - Small-scale PY - 2021 DO - https://doi.org/10.1016/j.actamat.2021.117219 VL - 218 PB - Elsevier Ltd. AN - OPUS4-53097 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hu, W.-H A1 - Tang, D.-H. A1 - Wang, M. A1 - Liu, J.-L. A1 - Li, Z.-H. A1 - Lu, W. A1 - Teng, J. A1 - Said, Samir A1 - Rohrmann, R. G. T1 - Resonance Monitoring of a Horizontal Wind Turbine by Strain-Based Automated Operational Modal Analysis N2 - A strain-based automated operational modal analysis algorithm is proposed to track the long-term dynamic behavior of a horizontal wind turbine under operational conditions. This algorithm is firstly validated by a scaled wind turbine model, and then it is applied to the dynamic strain responses recorded from a 5 MW wind turbine system. We observed variations in the fundamental frequency and 1f, 3f excitation frequencies due to the mass imbalance of the blades and aerodynamic excitation by the tower dam or tower wake. Inspection of the Campbell diagram revealed that the adverse resonance phenomenon and Sommerfeld effect causing excessive vibrations of the wind tower. KW - Strain KW - Automated operational modal analysis KW - Resonance KW - Horizontal wind turbine PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-503350 DO - https://doi.org/10.3390/en13030579 VL - 13 IS - 3 SP - 579 EP - 584 PB - MDPI CY - Schweiz, Basel AN - OPUS4-50335 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hu, W.-H. A1 - Xu, Z.-M. A1 - Liu, M.-Y. A1 - Tang, D.-H. A1 - Lu, W. A1 - Li, Z.-H. A1 - Teng, J. A1 - Han, X.-H. A1 - Said, Samir A1 - Rohrmann, R. G. T1 - Estimation of the Lateral Dynamic Displacement of High-Rise Buildings underWind Load Based on Fusion of a Remote Sensing Vibrometer and an Inclinometer N2 - This paper proposes a novel method to estimate the lateral displacement of high-rise structures under wind loads. The coefficient β(x) is firstly derived, reflecting the relation between the structural lateral dynamic displacement and the inclination angle at the height x of a structure. If the angle is small, it is the ratio between the structural fundamental mode shape and its first-order derivative without influence of external loads. Several dynamic experiments of structures are performed based on a laser remote sensing vibrometer and an inclinometer, which shows that the fundamental mode is dominated in the structural displacement response under different types of excitations. Once the coefficient β(x) is curve-fitted by measuring both the structural lateral dynamic displacement and the inclination angle synchronously, the real-time structural lateral displacement under operational conditions is estimated by multiplying the coefficient β(x) with the inclination angle. The advantage of the proposed method is that the coefficient β(x) can be identified by lateral dynamic displacement measured in high resolution by the remote sensing vibrometer, which is useful to reconstruct the displacement accurately by the inclination angle under operational conditions KW - Inclination angle KW - High-rise building KW - Lateral dynamic displacement KW - Remote sensing vibrometer PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-506833 DO - https://doi.org/10.3390/rs12071120 VL - 12 IS - 7 SP - 1120 PB - MDPI CY - 4052 Basel, Schweiz AN - OPUS4-50683 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ermilov, Eugeny A. A1 - Liu, J.-Y. A1 - Menting, R. A1 - Huang, Y.-S. A1 - Röder, B. A1 - Ng, D. K. P. T1 - An artificial photosynthetic model based on a molecular triad of boron dipyrromethene and phthalocyanine N2 - A boron dipyrromethene (BDP) unit and its monostyryl derivative (MSBDP) were introduced at the axial positions of a silicon(IV) phthalocyanine (SiPc) core. The absorption spectrum of this compound virtually covered the entire visible region (300-700 nm) and could be interpreted as a superposition of the spectra of individual components. The intramolecular photoinduced energy and charge transfer processes of this triad were studied using steady-state and time-resolved spectroscopic methods in polar and nonpolar solvents. Upon BDP-part excitation, a fast and highly efficient excitation energy transfer (EET) occurred resulting in strong quenching of its fluorescence and the formation of the first excited singlet state of SiPc or MSBDP. It was found that both EET and charge transfer (CT) processes competed with each other in the depopulation of the first excited singlet state of the MSBDP moiety. The former strongly superseded CT in nonpolar toluene, whereas the latter was dominant in a polar environment. Direct or indirect (via EET) excitation of the SiPc-part of the triad was followed by CT yielding the charge-separated (CS) species BDP-SiPc center dot--MSBDP center dot+. The energy gap between the CS state and the S-1-state of the SiPc moiety was found to be only 0.06 eV in toluene, which facilitated the back CT process and resulted in the appearance of thermally activated delayed fluorescence. With increasing solvent polarity, the energy of the CS state reduced resulting in the disappearance of the delayed fluorescence in CHCl3, tetrahydrofuran or N,N-dimethylformamide. The charge recombination rate, k(CR), was very fast in polar DMF (3.3 x 10(10) s(-1)), whereas this process was two-orders of magnitude slower in nonpolar toluene (k(CR) = 4.0 x 10(8) s(-1)). KW - Photoinduced electron-transfers KW - Zinc phthalocyanine KW - Solar-energy KW - Charge separation KW - Solvent polarity KW - Porphyrin KW - Excitation KW - Fullerene KW - Recombination KW - Carotenoids PY - 2016 DO - https://doi.org/10.1039/c6cp00920d VL - 18 IS - 16 SP - 10964 EP - 10975 PB - Royal Soc Chemistry CY - Cambridge, UK AN - OPUS4-36271 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - INPR A1 - Liu, Yuanbin A1 - Zhou, Yuxing A1 - Ademuwagun, Richard A1 - Walterbos, Luc A1 - George, Janine A1 - Elliott, Stephen R. A1 - Deringer, Volker L. T1 - Medium-range structural order in amorphous arsenic N2 - Medium-range order (MRO) is a key structural feature of amorphous materials, but ist origin and nature remain elusive. Here, we reveal the MRO in amorphous arsenic (a-As) using advanced atomistic simulations, based on machine-learned potentials derived using automated workflows. Our simulations accurately reproduce the experimental structurefactor of a-As, especially the first sharp diffraction peak (FSDP), which is a signature of MRO. We compare and contrast the structure of a-As with that of its lighter homologue, red amorphous phosphorus (a-P), identifying the dihedral-angle distribution as a key factor differentiating the MRO in both. The pressure-dependent structural behaviors of a-As and a-P differ as well, which we link to the interplay of ring topology and structural entropy. We finally show that the origin of the FSDP is closely correlated with the size and spatial distribution of voids in the amorphous networks. Our work provides fundamental insights into MRO in an amorphous elemental system, and more widely it illustrates the usefulness of automation for machine-learning-driven atomistic simulations. KW - Materials Design KW - Amorphous KW - Machine Learning KW - Machine Learning Interatomic Potentials KW - Automation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640204 DO - https://doi.org/10.48550/arXiv.2509.02484 SP - 1 EP - 43 AN - OPUS4-64020 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Li, Changchao A1 - Jin, Ling N. A1 - Bank, Michael S. A1 - Fan, Chunlan A1 - Gillings, Michael R. A1 - Zhao, Tingting A1 - Han, Yong A1 - Chen, Tian A1 - Gao, Meng A1 - Zhu, Dong A1 - Chen, Qinglin A1 - Zhu, Guibing A1 - Wang, Jie A1 - Wang, Lei A1 - Liu, Jian A1 - Yuan, Xianzheng A1 - Huang, Qishen A1 - Wang, Xiaofei A1 - Jahnke, Annika A1 - Brahney, Janice A1 - Allen, Steve A1 - Arp, Hans Peter H. A1 - Oberbeckmann, Sonja A1 - Bergmann, Melanie A1 - Pointing, Stephen B. A1 - Zhang, Daizhou A1 - Rillig, Matthias C. T1 - Potential planetary health impacts of the airborne plastisphere N2 - Microplastics are a ubiquitous yet long-overlooked component of airborne particulate matter. The surface of these plastic particles provides a unique niche for microorganisms, collectively known as the plastisphere. The plastisphere in aquatic and terrestrial ecosystems harbors microbial communities with distinct compositions, structures, and functional profiles, posing potential planetary health risks. The characteristics, fate, and impacts of the microbiome associated with airborne microplastics, however, remain largely unknown. In this review, we fill the knowledge gaps by exploring how airborne microplastics serve as key habitats for microorganisms and the potential planetary health implications. We show that microplastics are expected to carry and sustain microorganisms over long distances and timescales in air, potentially dispersing pathogens, antibiotic-resistance genes, and other bioactive agents across ecosystems. These interactions may perturb ecological processes and biological health on a planetary scale. Interdisciplinary research and innovative methodologies are urgently required to better understand and mitigate the airborne plastisphere risks. KW - Microplastics KW - Microbiome KW - Plastisphere PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-645551 DO - https://doi.org/10.1016/j.oneear.2025.101446 SN - 2590-3322 VL - 8 IS - 10 SP - 1 EP - 17 PB - Elsevier B.V. AN - OPUS4-64555 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Reinmuth-Selzle, K. A1 - Kampf, C. J. A1 - Lucas, K. A1 - Lang-Yona, N. A1 - Fröhlich-Nowoisky, J. A1 - Shiraiwa, M. A1 - Lakey, P. S. J. A1 - Lai, S. A1 - Liu, F. A1 - Kunert, A. T. A1 - Ziegler, K. A1 - Shen, F. A1 - Sgarbanti, R. A1 - Weber, B. A1 - Bellinghausen, I. A1 - Saloga, J. A1 - Weller, Michael G. A1 - Duschl, A. A1 - Schuppan, D. A1 - Pöschl, U. T1 - Air pollution and climate change effects on allergies in the anthropocene: Abundance, interaction, and modification of allergens and adjuvants N2 - Air pollution and climate change are potential drivers for the increasing burden of allergic diseases. The molecular mechanisms by which air pollutants and climate parameters may influence allergic diseases, however, are complex and elusive. This article provides an overview of physical, chemical and biological interactions between air pollution, climate change, allergens, adjuvants and the immune system, addressing how these interactions may promote the development of allergies. We reviewed and synthesized key findings from atmospheric, climate, and biomedical research. The current state of knowledge, open questions, and future research perspectives are outlined and discussed. The Anthropocene, as the present era of globally pervasive anthropogenic influence on planet Earth and, thus, on the human environment, is characterized by a strong increase of carbon dioxide, ozone, nitrogen oxides, and combustion- or traffic-related particulate matter in the atmosphere. These environmental factors can enhance the abundance and induce chemical modifications of allergens, increase oxidative stress in the human body, and skew the immune system toward allergic reactions. In particular, air pollutants can act as adjuvants and alter the immunogenicity of allergenic proteins, while climate change affects the atmospheric abundance and human exposure to bioaerosols and aeroallergens. To fully understand and effectively mitigate the adverse effects of air pollution and climate change on allergic diseases, several challenges remain to be resolved. Among these are the identification and quantification of immunochemical reaction pathways involving allergens and adjuvants under relevant environmental and physiological conditions. KW - Allergie KW - Klimaveränderung KW - Luftverschmutzung KW - Partikel KW - Ozon KW - Stickoxide KW - Allergene KW - Adjuvantien KW - PALM KW - DAMP PY - 2017 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-404531 DO - https://doi.org/10.1021/acs.est.6b04908 SN - 1520-5851 SN - 0013-936X VL - 51 IS - 8 SP - 4119 EP - 4141 PB - American Chemical Society (ACS) CY - Washington AN - OPUS4-40453 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wolf, M. E. A1 - Vickery, W. M. A1 - Swift-Ramirez, W. A1 - Arnold, A. M. A1 - Orlando, J. D. A1 - Schmidt, S. J. A1 - Liu, Y. A1 - Er, Jasmin A1 - Schusterbauer, Robert A1 - Ahmed, R. A1 - Nickl, Philip A1 - Radnik, Jörg A1 - Donskyi, Ievgen A1 - Sydlik, S. A. T1 - The Mitsunobu reaction for the gentle covalent attachment of biomolecules to graphene oxide N2 - Graphene oxide (GO) has emerged as a promising biomaterial as it is easily and cheaply synthesized, strong, cytocompatible, osteoinductive, and has a well-characterized aqueous degradation pathway. It is also a great substrate for functionalization with biomolecules such as proteins, peptides, and small molecules that can enhance or add bioactivity. Covalent chemical linkages as opposed to typical noncovalent association methods are preferable so that the biomolecules do not quickly diffuse away or face replacement by other proteins, which is critical in long time scale applications like bone regeneration. However, covalent chemistry tends to carry a drawback of harsh reaction conditions that can damage the structure, conformation, and therefore function of a delicate biomolecule like a protein. Here, the Mitsunobu reaction is introduced as a novel method of covalently attaching proteins to graphene oxide. It features gentle reaction conditions and has the added benefit of utilizing the plentiful basal plane alcohol functionalities on graphene oxide, allowing for high yield protein functionalization. The amino acid Glycine (G), the protein bovine serum albumin (BSA), and the small molecule SVAK-12 are utilized to create the three Mitsunobu Graphene (MG) materials G-MG, BSA-MG, and SVAK-MG that demonstrate the wide applicability of this functionalization method. KW - Graphene oxide KW - Mitsunobu reaction KW - Covalent attachment KW - Bovine serum albumin KW - Macrophage polarization KW - Osteogenesis PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630483 DO - https://doi.org/10.1016/j.carbon.2025.120221 VL - 238 SP - 1 EP - 15 PB - Elsevier Ltd. AN - OPUS4-63048 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pei, R. A1 - Petrazoller, J. A1 - Atila, Achraf A1 - Arnoldi, S. A1 - Xiao, L. A1 - Liu, X. A1 - Wang, H. A1 - Korte-Kerzel, S. A1 - Berbenni, S. A1 - Richeton, T. A1 - Guénolé, J. A1 - Xie, Z. A1 - Al-Samman, T. T1 - Solute co-segregation mechanisms at low-angle grain boundaries in magnesium: A combined atomic-scale experimental and modeling study N2 - Solute segregation at low-angle grain boundaries (LAGBs) critically affects the microstructure and mechanicalproperties of magnesium (Mg) alloys. In modern alloys containing multiple substitutional elements, understanding solute-solute interactions at microstructural defects becomes essential for alloy design. This study investigates the co-segregation mechanisms of calcium (Ca), zinc (Zn), and aluminum (Al) at a LAGB in a dilute Mg-0.23Al-1.00Zn-0.38Ca (AZX010) alloy by combining atomic-scale experimental and modeling techniques.Three-dimensional atom probe tomography (3D-APT) revealed significant segregation of Ca, Zn, and Al at the LAGB, with Ca forming linear segregation patterns along dislocation arrays characteristic of the LAGB. Clustering analysis showed increased Ca–Ca pairs at the boundary, indicating synergistic solute interactions. Atomistic simulations and elastic dipole calculations demonstrated that larger Ca atoms prefer tensile regions around dislocations, while smaller Zn and Al atoms favor compressive areas. These simulations also found that Ca–Ca co-segregation near dislocation cores is energetically more favorable than other solute pairings, explaining the enhanced Ca clustering observed experimentally. Thermodynamic modeling incorporating calculated segregation energies and solute-solute interactions accurately predicted solute concentrations at the LAGB, aligning with experimental data. The findings emphasize the importance of solute interactionsat dislocation cores in Mg alloys, offering insights for improving mechanical performance through targeted alloying and grain boundary engineering. KW - Atomic probe tomography KW - Atomistic simulation KW - Grain boundary KW - Co-segregation KW - Magnesium alloy PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655248 DO - https://doi.org/10.1016/j.actamat.2026.121947 SN - 1359-6454 VL - 306 SP - 1 EP - 13 PB - Elsevier Inc. AN - OPUS4-65524 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -