TY - JOUR A1 - Mozetic, M. A1 - Ostrikov, K. A1 - Ruzic, D.N. A1 - Curreli, D. A1 - Cvelbar, U. A1 - Vesel, A. A1 - Primc, G. A1 - Leisch, M. A1 - Jousten, K. A1 - Malyshev, O.B. A1 - Hendricks, J.H. A1 - Kövér, L. A1 - Tagliaferro, A. A1 - Conde, O. A1 - Silvestre, A.J. A1 - Giapintzakis, J. A1 - Buljan, M. A1 - Radic, N. A1 - Drazic, G. A1 - Bernstorff, S. A1 - Biedermann, H. A1 - Kylián, O. A1 - Hanus, J. A1 - Milosevic, S. A1 - Galtayries, A. A1 - Dietrich, Paul A1 - Unger, Wolfgang A1 - Lehocky, M. A1 - Sedlarik, V. A1 - Stana-Kleinschek, K. A1 - Drmota-Petric, A. A1 - Pireaux, J.J. A1 - Rogers, J.W. A1 - Anderle, M. T1 - Recent advances in vacuum sciences and applications N2 - Recent advances in vacuum sciences and applications are reviewed. Novel optical interferometer cavity devices enable pressure measurements with ppm accuracy. The innovative dynamic vacuum standard allows for pressure measurements with temporal resolution of 2 ms. Vacuum issues in the construction of huge ultra-high vacuum devices worldwide are reviewed. Recent advances in surface science and thin films include new phenomena observed in electron transport near solid surfaces as well as novel results on the properties of carbon nanomaterials. Precise techniques for surface and thin-film characterization have been applied in the conservation technology of cultural heritage objects and recent advances in the characterization of biointerfaces are presented. The combination of various vacuum and atmospheric-pressure techniques enables an insight into the complex phenomena of protein and other biomolecule conformations on solid surfaces. Studying these phenomena at solid–liquid interfaces is regarded as the main issue in the development of alternative techniques for drug delivery, tissue engineering and thus the development of innovative techniques for curing cancer and cardiovascular diseases. A review on recent advances in plasma medicine is presented as well as novel hypotheses on cell apoptosis upon treatment with gaseous plasma. Finally, recent advances in plasma nanoscience are illustrated with several examples and a roadmap for future activities is presented. KW - Vacuum KW - Surface KW - Plasma KW - Interface KW - Nanoscience PY - 2014 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-304884 DO - https://doi.org/10.1088/0022-3727/47/15/153001 SN - 0022-3727 SN - 1361-6463 VL - 47 IS - 15 SP - 153001-1 EP - 153001-23 PB - IOP Publ. CY - Bristol AN - OPUS4-30488 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Belsey, N. A. A1 - Cant, D. J. H. A1 - Minelli, C. A1 - Araujo, J. R. A1 - Bock, B. A1 - Brüner, P. A1 - Castner, D. G. A1 - Ceccone, G. A1 - Counsell, J. D. P. A1 - Dietrich, Paul M. A1 - Engelhardt, M. H. A1 - Fearn, S. A1 - Galhardo, C. E. A1 - Kalbe, H. A1 - Kim, J. W. A1 - Lartundo-Rojas, L. A1 - Luftman, H. S. A1 - Nunney, T. S. A1 - Pseiner, J. A1 - Smith, E. F. A1 - Spampinato, V. A1 - Sturm, J. M. A1 - Thomas, A. G. A1 - Treacy, J. P. W. A1 - Veith, L. A1 - Wagstaffe, M. A1 - Wang, H. A1 - Wang, M. A1 - Wang, Y.-C. A1 - Werner, W. A1 - Yang, L. A1 - Shard, A. G. T1 - Versailles Project on Advanced Materials and Standards Interlaboratory Study on Measuring the Thickness and Chemistry of Nanoparticle Coatings Using XPS and LEIS N2 - We report the results of a Versailles Project on Advanced Materials and Standards (VAMAS) interlaboratory study on the measurement of the shell thickness and chemistry of nanoparticle coatings. Peptide-coated gold particles were supplied to laboratories in two forms: a colloidal suspension in pure water and particles dried onto a silicon wafer. Participants prepared and analyzed these samples using either X-ray photoelectron spectroscopy (XPS) or low energy ion scattering (LEIS). Careful data analysis revealed some significant sources of discrepancy, particularly for XPS. Degradation during transportation, storage, or sample preparation resulted in a variability in thickness of 53%. The calculation method chosen by XPS participants contributed a variability of 67%. However, variability of 12% was achieved for the samples deposited using a single method and by choosing photoelectron peaks that were not adversely affected by instrumental transmission effects. The study identified a need for more consistency in instrumental transmission functions and relative sensitivity factors since this contributed a variability of 33%. The results from the LEIS participants were more consistent, with variability of less than 10% in thickness, and this is mostly due to a common method of data analysis. The calculation was performed using a model developed for uniform, flat films, and some participants employed a correction factor to account for the sample geometry, which appears warranted based upon a simulation of LEIS data from one of the participants and comparison to the XPS results. KW - VAMAS KW - Interlaboratory Study KW - Nanoparticle coating KW - XPS KW - LEIS KW - shell thicknss and chemistry PY - 2016 UR - http://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b06713 DO - https://doi.org/10.1021/acs.jpcc.6b06713 IS - 120 SP - 24070 EP - 24079 PB - ACS Publications AN - OPUS4-38428 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Reed, B. P. A1 - Cant, D.J.H. A1 - Spencer, J. A1 - Carmona-Carmona, A. J. A1 - Bushell, A. A1 - Herrara-Gómez, A. A1 - Kurokawa, A. A1 - Thissen, A. A1 - Thomas, A.G. A1 - Britton, A.J. A1 - Bernasik, A. A1 - Fuchs, A. A1 - Baddorf, A. P. A1 - Bock, B. A1 - Thellacker, B. A1 - Cheng, B. A1 - Castner, D.G. A1 - Morgan, D.J. A1 - Valley, D. A1 - Willneff, E.A. A1 - Smith, E.F. A1 - Nolot, E. A1 - Xie, F. A1 - Zorn, G. A1 - Smith, G.C. A1 - Yasukufu, H. A1 - Fenton, J. L. A1 - Chen, J. A1 - Counsell, J..D.P. A1 - Radnik, Jörg A1 - Gaskell, K.J. A1 - Artyushkova, K. A1 - Yang, L. A1 - Zhang, L. A1 - Eguchi, M. A1 - Walker, M. A1 - Hajdyla, M. A1 - Marzec, M.M. A1 - Linford, M.R. A1 - Kubota, N. A1 - Cartazar-Martínez, O. A1 - Dietrich, P. A1 - Satoh, R. A1 - Schroeder, S.L.M. A1 - Avval, T.G. A1 - Nagatomi, T. A1 - Fernandez, V. A1 - Lake, W. A1 - Azuma, Y. A1 - Yoshikawa, Y. A1 - Shard, A.G. T1 - Versailles Project on Advanced Materials and Standards interlaboratory study on intensity calibration for x-ray photoelectron spectroscopy instruments using low-density polyethylene N2 - We report the results of a Versailles Project on Advanced Materials and Standards interlaboratory study on the intensity scale calibration of x-ray photoelectron spectrometers using low-density polyethylene (LDPE) as an alternative material to gold, silver, and copper. An improved set of LDPE reference spectra, corrected for different instrument geometries using a quartz-monochromated Al Kα x-ray source, was developed using data provided by participants in this study. Using these new reference spectra, a transmission function was calculated for each dataset that participants provided. When compared to a similar calibration procedure using the NPL reference spectra for gold, the LDPE intensity calibration method achieves an absolute offset of ∼3.0% and a systematic deviation of ±6.5% on average across all participants. For spectra recorded at high pass energies (≥90 eV), values of absolute offset and systematic deviation are ∼5.8% and ±5.7%, respectively, whereas for spectra collected at lower pass energies (<90 eV), values of absolute offset and systematic deviation are ∼4.9% and ±8.8%, respectively; low pass energy spectra perform worse than the global average, in terms of systematic deviations, due to diminished count rates and signal-to-noise ratio. Differences in absolute offset are attributed to the surface roughness of the LDPE induced by sample preparation. We further assess the usability of LDPE as a secondary reference material and comment on its performance in the presence of issues such as variable dark noise, x-ray warm up times, inaccuracy at low count rates, and underlying spectrometer problems. In response to participant feedback and the results of the study, we provide an updated LDPE intensity calibration protocol to address the issues highlighted in the interlaboratory study. We also comment on the lack of implementation of a consistent and traceable intensity calibration method across the community of x-ray photoelectron spectroscopy (XPS) users and, therefore, propose a route to achieving this with the assistance of instrument manufacturers, metrology laboratories, and experts leading to an international standard for XPS intensity scale calibration. KW - X-ray photoelectron spectroscopy KW - Transmission function KW - Intensity scale calibration KW - Reference spectra KW - Low-density polyethylene (LDPE) PY - 2020 DO - https://doi.org/10.1116/6.0000577 VL - 38 IS - 6 SP - 063208 AN - OPUS4-51655 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Reed, B. P. A1 - Cant, D.J.H. A1 - Spencer, S.J. A1 - Carmona-Carmona, A. J. A1 - Bushell, A. A1 - Herrara-Gómez, A. A1 - Kurokawa, A. A1 - Thissen, A. A1 - Thomas, A.G. A1 - Britton, A.J. A1 - Bernasik, A. A1 - Fuchs, A. A1 - Baddorf, A.P. A1 - Bock, B. A1 - Thellacker, B. A1 - Cheng, B. A1 - Castner, D.G. A1 - Morgan, D.J. A1 - Valley, D. A1 - Willneff, E.A. A1 - Smith, E.P. A1 - Nolot, E. A1 - Xie, F. A1 - Zorn, G. A1 - Smith, G.C. A1 - Yasukufu, H. A1 - Fenton, J.L. A1 - Chen, J. A1 - Counsell, J.D.P. A1 - Radnik, Jörg A1 - Gaskell, K.J. A1 - Artyushkova, K. A1 - Yang, L. A1 - Zhang, L. A1 - Eguchi, M. A1 - Walker, M. A1 - Hajdyla, M. A1 - Marzec, M.M. A1 - Linford, M.R. A1 - Kubota, N. A1 - Cortazar-Martinez, O. A1 - Dietrich, P. A1 - Satoh, R. A1 - Schroeder, S.L.M. A1 - Avval, T.G. A1 - Nagatomi, T. A1 - Fernandez, V. A1 - Lake, W. A1 - Azuma, Y. A1 - Yoshikawa, Y. A1 - Compean-Gonzalez, C.L. A1 - Ceccone, G. A1 - Shard, A.G. T1 - ERRATUM: “Versailles project on advanced materials and standards interlaboratory study on intensity calibration for x-ray photoelectron spectroscopy instruments using low-density polyethylene” [J. Vac. Sci. Technol. A 38, 063208 (2020)] N2 - The lead authors failed to name two collaborators as co-authors. The authors listed should include: Miss Claudia L. Compean-Gonzalez (ORCID: 0000-0002-2367-8450) and Dr. Giacomo Ceccone (ORCID: 0000-0003-4637-0771). These co-authors participated in VAMAS project A27, provided data that were analyzed and presented in this publication (and supporting information), and reviewed the manuscript before submission. KW - X-ray photoelectron spectroscopy KW - Transmission function KW - Low-density polyethylene PY - 2021 DO - https://doi.org/10.1116/6.0000907 VL - 39 IS - 2 SP - 027001 PB - American Vacuum Society AN - OPUS4-52380 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hachmöller, O. A1 - de Oliveira Guilherme Buzanich, Ana A1 - Aichler, M. A1 - Radtke, Martin A1 - Dietrich, D. A1 - Schwamborn, K. A1 - Lutz, L. A1 - Werner, M. A1 - Sperling, M. A1 - Walch, A. A1 - Karst, U. T1 - Elemental bioimaging and speciation analysis for the investigation of Wilsons disease using μXRF and XANES N2 - A liver biopsy specimen from a Wilson’s disease (WD) patient was analyzed by means of micro-X-ray fluorescence (mXRF) spectroscopy to determine the elemental distribution. First, bench-top mXRF was utilized for a coarse scan of the sample under laboratory conditions. The resulting distribution maps of copper and iron enabled the determination of a region of interest (ROI) for further analysis. In order to obtain more detailed elemental information, this ROI was analyzed by synchrotron radiation (SR)-based mXRF with a beam size of 4 mm offering a resolution at the cellular level. Distribution maps of additional elements to copper and iron like zinc and manganese were obtained due to a higher sensitivity of SR-mXRF. In addition to this, X-ray absorption near edge structure spectroscopy (XANES) was performed to identify the oxidation states of copper in WD. This speciation analysis indicated a mixture of copper(I) and copper(II) within the WD liver tissue. KW - progressive hepatolenticular degeneration KW - mXRF Micro-X-ray fluorescence spectroscopy KW - XANES X-ray absorption near edge structure spectroscopy PY - 2016 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-360811 DO - https://doi.org/10.1039/C6MT00001K SN - 1756-5901 SN - 1756-591X PB - Royal Society of Chemistry CY - Cambridge AN - OPUS4-36081 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jain, V. A1 - Kjaervik, Marit A1 - Bahr, S. A1 - Dietrich, P. A1 - Meyer, M. A1 - Thissen, A. A1 - Linford, M. R. T1 - Bovine serum albumin, aqueous solution, by near-ambient pressure XPS N2 - Near-ambient pressure x-ray photoelectron spectroscopy (NAP-XPS) is a less traditional form of XPS that allows samples to be analyzed at relatively high pressures, i.e., at greater than 2500 Pa. With NAP-XPS, XPS can probe moderately volatile liquids, biological samples, porous materials, and/or polymeric materials that outgas significantly. In this submission, we show survey, C 1s, O 1s, and N 1s narrow scans from an aqueous solution of a common protein, bovine serum albumin. The C 1s peak envelope is well fit to four symmetric peaks of equal width that correspond to carbon bonded to carbon and hydrogen (C-1), carbon singly bonded to oxygen (C-2), carbonyl and/or amide carbon (C-3), and carboxyl carbon (C-4). Two possible peak fits are considered for the N 1s and O 1s peak envelopes. The N 1s signal is fit to four peaks that correspond to amine (—NH2), Amide (OvCZNH2), ammonium (—NH3 +), and N2(g) nitrogen, and alternatively to three peaks that correspond to amine, amide, and N2(g) nitrogen. The O 1s peak envelope is similarly fit to three and four components. KW - NAP-XPS KW - BSA KW - Bovine serum albumin KW - XPS KW - Near-ambient pressure PY - 2019 DO - https://doi.org/10.1116/1.5055229 VL - 26 IS - 1 SP - 014027 PB - American Vacuum Society CY - New York, USA AN - OPUS4-48655 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dietrich, M. A1 - Glassner, M. A1 - Gruendling, T. A1 - Schmid, Christina A1 - Falkenhagen, Jana A1 - Barner-Kowollik, C. T1 - Facile conversion of RAFT polymers into hydroxyl functional polymers: a detailed investigation of variable monomer and RAFT agent combinations N2 - We report the systematic investigation of a recently introduced one-pot radical transformation of methacrylate and acrylate-type polymers prepared via reversible addition fragmentation chain transfer (RAFT) polymerization into hydroxyl functional polymers. The simple reaction procedure involves stirring a solution of the RAFT functional polymer and an azo-initiator in tetrahydrofuran at elevated temperatures (T = 60 °C) in the presence of ambient air. Subsequent reduction of the formed hydroperoxide functional polymers to hydroxyl functional polymers is achieved in a one-pot procedure using triphenylphosphine. Polymers investigated in the current study are poly(methyl acrylate) (pMA), poly(butyl acrylate) (pBA), poly(isobornyl acrylate) (piBoA) and poly(tert-butyl acrylate) (ptBA) carrying a dithiobenzoate or phenyldithioacetate end terminius as well as a symmetrical trithiocarbonate mid chain function. Quantitative conversion into the hydroperoxyl and hydroxyl terminated product is observed when trithiocarbonate functional polymers are employed. In the case of dithiobenzoate and phenyldithioacetate functional acrylic polymers, some minor side products due to the oxidation of the RAFT end-group are generated. Size exclusion chromatography (SEC) and size exclusion chromatography–electrospray mass spectrometry (SEC-ESI-MS) were employed to monitor the progress of the reaction and to investigate the proposed reaction mechanism for the model polymers. When trithiocarbonate functional polymers are employed in the transformation reaction, the SEC analysis shows a bisection of the initial Mn. Collision induced dissociation (CID) MS experiments of the intermediate reaction products were conducted to gain in-depth information about the chemical structure. The new backbone linked hydroxyl group provides a versatile anchor for chemical end-group conversions and conjugation reactions with RAFT prepared polymers, alleviating problems with the rather limited ability of the dithioester end-group to undergo non-radical transformations. KW - Polymers KW - RAFT KW - SEC/ESI-mass spectrometry KW - CID-MS PY - 2010 DO - https://doi.org/10.1039/b9py00273a SN - 1759-9954 SN - 1759-9962 VL - 1 IS - 5 SP - 634 EP - 644 AN - OPUS4-21907 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kjaervik, Marit A1 - Ramstedt, M. A1 - Schwibbert, Karin A1 - Dietrich, P. M A1 - Unger, Wolfgang T1 - Comparative Study of NAP-XPS and Cryo-XPS for the Investigation of Surface Chemistry of the Bacterial Cell-Envelope N2 - Bacteria generally interact with the environment via processes involving their cell-envelope. Thus, techniques that may shed light on their surface chemistry are attractive tools for providing an understanding of bacterial interactions. One of these tools is Al Kα-excited photoelectron spectroscopy (XPS) with its estimated information depth of <10 nm. XPS-analyses of bacteria have been performed for several decades on freeze-dried specimens in order to be compatible with the vacuum in the analysis chamber of the spectrometer. A limitation of these studies has been that the freeze-drying method may collapse cell structure as well as introduce surface contaminants. However, recent developments in XPS allow for analysis of biological samples at near ambient pressure (NAP-XPS) or as frozen hydrated specimens (cryo-XPS) in vacuum. In this work, we have analyzed bacterial samples from a reference strain of the Gram-negative bacterium Pseudomonas fluorescens using both techniques. We compare the results obtained and, in general, observe good agreement between the two techniques. Furthermore, we discuss advantages and disadvantages with the two analysis approaches and the output data they provide. XPS reference data from the bacterial strain are provided, and we propose that planktonic cells of this strain (DSM 50090) are used as a reference material for surface chemical analysis of bacterial systems. KW - P. Fluorescens KW - Cryo XPS KW - NAP-XPS KW - DSM 5009 PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-525640 DO - https://doi.org/10.3389/fchem.2021.666161 VL - 9 SP - Article 666161 PB - Frontiers CY - Switzerland AN - OPUS4-52564 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Holm, Olaf A1 - Rein, A. A1 - Trapp, S. A1 - Popp-Hoffmann, S. A1 - Bittens, M. A1 - Leven, C. A1 - Dietrich, P. T1 - Comparison of phytoscreening and direct-push-based site investigation at a rural megasite contaminated with chlorinated ethenes N2 - The reliable characterization of subsurface contamination of spatially extended contaminated sites is a challenging task, especially with an unknown history of land use. Conventional technologies often fail due to temporal and financial constraints and thus hinder the redevelopment of abandoned areas in particular. Here we compare two site screening techniques that can be applied quickly at relatively low cost, namely Direct Push (DP)-based groundwater sampling and tree core sampling. The effectiveness of both methods is compared for a rural megasite contaminated with chlorinated hydrocarbons. Unexpected pollution hot spots could be identified using both of these methods, while tree coring even enabled the delineation of the contaminant plume flowing into an adjacent wetland inaccessible for DP units. Both methods showed a good agreement in revealing the spatial pattern of the contamination. The correlation between groundwater concentrations and equivalent concentrations in wood was linear and highly significant for trichloroethene. Correlation was less obvious for its metabolite cis-dichloroethene, but still significant. As outcome of our study we recommend tree coring and for initial screening in combination with a DP sampling to retrieve quantitative data on groundwater pollutants in order to assess the contamination situation of a non- or only partly investigated site. The subsequent placement of monitoring wells for long-term monitoring of contamination levels is recommended. A combination of methods would achieve more relevant information at comparable or possibly even lower efforts in comparison to a conventional site investigation. KW - non-invasive investigation KW - phytoscreening KW - direct-push KW - screening KW - trichloroethene KW - trichloroethylene KW - groundwater contamination KW - tree core sampling PY - 2015 UR - http://onlinelibrary.wiley.com/doi/10.1111/gwmr.12122/abstract DO - https://doi.org/10.1111/gwmr.12122 SN - 1745-6592 VL - 35 IS - 4 SP - 45 EP - 56 PB - Wiley Online Library AN - OPUS4-35595 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Unger, Wolfgang A1 - Swaraj, S. A1 - Dietrich, Paul M. T1 - X-ray spectromicroscopy of nanoparticulate iron oxide phases N2 - Soft x-ray spectromicroscopy techniques have seen great amount of development in the recent years, and with the development of new diffraction limited synchrotron source, many new nanoscale and mesoscale characterization opportunities of applied materials are foreseen. In this perspective, the authors present some examples that illustrate the capabilities of spectromicroscopy techniques, namely, 2D and 3D spatially resolved chemical quantification, surface and bulk sensitive measurements, and polarization dependent measurements as applied to iron oxide nanoparticulate materials of biological, geological, and other origins. KW - X-ray spectromicroscopy KW - STXM KW - Iron oxide PY - 2016 DO - https://doi.org/10.1116/1.4966654 SN - 1934-8630 SN - 1559-4106 VL - 11 IS - 4 SP - 04B402-1 EP - 04B402-6 PB - AVS: Science & Technology of Materials, Interfaces, and Processing AN - OPUS4-38274 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lange, Nele A1 - Dietrich, Paul M. A1 - Lippitz, Andreas A1 - Kulak, N. A1 - Unger, Wolfgang T1 - New azidation methods for the functionalization of silicon nitride and application in copper-catalyzed azide-alkyne cycloaddition (CuAAC) N2 - In this study, a new direct functionalization method of silicon nitride (Si3N4) using azidation and click chemistry is presented. First, amino groups (NHx) were created on a Si3N4 substrate by fluoride etching. These NHx-terminated Si3N4 surfaces were analyzed by chemical derivatization X-ray photoelectron spectroscopy (CD-XPS) with 4-trifluoromethylbenzaldehyde (TFBA) and a derivatization yield of 20% was concluded. In the second step freshly prepared NHx surfaces were transformed into azides which were used immediately in a click reaction with halogenated alkynes. The presented combination of amination, azidation and click reaction is a promising alternative for common silane-based Si3N4 functionalization methods. T2 - 16th European Conference on Applications of Surface and Interface Analysis CY - Granada, Spain DA - 28.09.2015 KW - XPS KW - Azidation KW - Click chemistry KW - Silicon nitride KW - Chemical derivatization PY - 2016 UR - http://onlinelibrary.wiley.com/doi/10.1002/sia.5950/full DO - https://doi.org/10.1002/sia.5950 VL - 48 SP - 621 EP - 625 PB - John Wiley & Sons, Ltd AN - OPUS4-36841 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Karrasch, Stefan A1 - Simon, M. A1 - Herbig, Britta A1 - Langner, Jeanette A1 - Seeger, Stefan A1 - Kronseder, A. A1 - Peters, S. A1 - Dietrich-Gümperlein, G. A1 - Schierl, R. A1 - Nowak, D. A1 - Jörres, R.A. ED - Nazaroff, William T1 - Health effects of laser printer emissions: a controlled exposure study N2 - Ultrafine particles emitted from laser printers are suspected to elicit adverse health effects. We performed 75-minute exposures to emissions of laser printing devices (LPDs) in a standardized, randomized, cross- over manner in 23 healthy subjects, 14 mild, stable asthmatics, and 15 persons reporting symptoms associated with LPD emissions. Low-level exposures (LLE) ranged at the particle background (3000 cm−3) and High-level exposures (HLE) at 100 000 cm−3. Examinations before and after exp sures included spirometry, body plethysmography, transfer factors for CO and NO (TLCO, TLNO), bronchial and alveolar NO, cytokines in serum and nasal secretions (IL-1β, IL-5, IL-6, IL-8, GM-CSF, IFNγ, TNFα), serum ECP, and IgE. Across all participants, no statistically significant changes occurred for lung mechanics and NO. There was a decrease in volume-related TLNO that was more pronounced in HLE, but the difference to LLE was not significant. ECP and IgE increased in the same way after exposures. Nasal IL-6 showed a higher increase after LLE. There was no coherent pattern regarding the responses in the participant subgroups or single sets of variables. In conclusion, the experimental acute responses to short but very high-level LPD exposures were small and did not indicate clinically relevant effects compared to low particle number concentrations. KW - Emission KW - Exposure KW - Laser printer KW - Lung function KW - Respiratory health KW - Ultrafine particles PY - 2017 DO - https://doi.org/10.1111/ina.12366 SN - 1600-0668 VL - 27 IS - 4 SP - 753 EP - 765 PB - John Wiley & Sons Ltd. CY - London AN - OPUS4-42593 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dietrich, Matthes A1 - Knaust, Christian A1 - Arnold, L. A1 - Brüne, M. A1 - Festag, S. T1 - Buoyancy driven flow in an underground metro station for different climate conditions – experimental and numerical investigation N2 - In urban areas the demand for public transportation is constantly growing. Underground railway systems overcome the problem of limited space on the ground and are therefore one of the most powerful systems in urban public transportation. These facilities can be very complex and are used by a large amount of passengers. Therefore, it is important to maintain the safety for people and buildings. Especially in the case of fire or arson attack. This paper focusses on a fire scenario in a complex subway station for different weather conditions. The purpose is to identify the influences of different weather conditions on the smoke spread and the ability of self-rescue in case of a burning luggage. The evaluation of the fire simulations will focus on toxicity and visibility taking into account the FED concept. T2 - AUBE '17 & SUPDET 2017 CY - Washington D.C., USA DA - 12.09.2017 KW - Fire simulations KW - Weather conditions KW - FED PY - 2017 SN - 978-3-940402-11-0 VL - 2 SP - II-121 EP - II-128 AN - OPUS4-42253 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dietrich, Paul A1 - Treu, Dieter A1 - Kalbe, Henryk A1 - Krumrey, M. A1 - Gross, Thomas A1 - Marti, K. A1 - Unger, Wolfgang T1 - Experimental determination of the effective attenuation length of palladium 3d 5/2 photoelectrons in a magnetron sputtered Pd nanolayer N2 - An electron effective attenuation length (EAL) of 1.68nm for Al Kα excited Pd 3d 5/2 photoelectrons with a kinetic energy of 1.152 keV has been determined experimentally using a sputtered Pd film deposited on an ultra flat fused quartz substrate. The film thickness was reduced by Ar ion sputtering several times in order to obtain different Pd film thicknesses which are used to determine experimental EAL values. These results are compared to data generated by using a Simulation of Electron Spectra for Surface Analysis (SESSA) simulation using an inelastic mean free path (IMFP) calculated with the Tanuma–Powell–Penn (TPP)-2M formula and with ‘elastic scattering on and off’. Contributions to the uncertainty budget related to the experimental approach are discussed in detail. Proposals on how to further improve the approach are suggested. KW - Pd 3d KW - Electron effective attenuation length KW - XPS PY - 2017 UR - http://onlinelibrary.wiley.com/doi/10.1002/sia.6141/abstract?campaign=woletoc DO - https://doi.org/10.1002/sia.6141 SN - 0142-2421 SN - 1096-9918 VL - 49 IS - 5 SP - 464 EP - 468 PB - John Wiley & Sons, Ltd AN - OPUS4-39682 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Knaust, Christian A1 - Festag, S. A1 - Brüne, M. A1 - Dietrich, Matthes A1 - Amecke-Mönninghoff, Stephan A1 - Konrath, B. A1 - Arnold, L. T1 - Modellierung eines Brandes in einer U-Bahn-Station: Validierung von Rechenmodellen auf der Grundlage von Feldversuchen N2 - Mittels Propan-Brennern mit einer Brennerleistung 750 kW wurden in einer U-Bahn-Station Heißgasversuche durchgeführt und die zeitlichen und örtlichen Verteilungen der physikalischen Größen (Stoffkonzentration, Temperatur und Rauchgasdichte) erfasst. Laborversuche sowie die Feldversuche sind Validierungsgrundlage für ANSYS CFX und FDS und die später im Rechenmodell der U-Bahn-Station zur Untersuchung der Grundströmung und Rauchausbreitung verwendeten mathematisch-physikalischen Modelle. Der Aufsatz stellt das Projekt ORPHEUS vor und diskutiert die ersten Ergebnisse. T2 - Magdeburger Brand- und Explosionsschutztage 2017 CY - Magdeburg, Germany DA - 23.03.2017 KW - Rechenmodelle KW - Ansys CFX KW - FDS KW - Computational fluid dynamics KW - CFD KW - Rauchausbreitung KW - Validierung KW - U-Bahn KW - Brandszenarien KW - Modellierung von Bränden PY - 2017 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-396694 SN - 978-3-00-056201-3 DO - https://doi.org/10.978.300/0562013 SP - 1 EP - 12 PB - Otto-von-Guericke-Universität Magdeburg CY - Magdeburg AN - OPUS4-39669 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dietrich, Paul A1 - Horlacher, T. A1 - Gross, Thomas A1 - Wirth, Thomas A1 - Castelli, R. A1 - Shard, A.G. A1 - Alexander, M. A1 - Seeberger, P. H. A1 - Unger, Wolfgang T1 - Surface analytical characterization of carbohydrate microarrays N2 - Microarrays are a versatile platform for diagnostics and high-throughput analysis. Carbohydrate microarrays are valuable tools to investigate interactions with other molecules since many glycans are involved in fundamental biological processes. A combined X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) surface analysis was used to investigate the basic steps in the production of carbohydrate microarrays. The preparation included coupling of a thiol-terminated mannoside to maleimide-functionalized glass surfaces derived from γ-aminopropyl silane (GAPS) slides. XPS results clearly demonstrate successful chemical modification in each fabrication step, and ToF-SIMS imaging revealed immobilized carbohydrates in the spotted regions of the final microarray. KW - Carbohydrates KW - Microarrays KW - XPS KW - ToF-SIMS KW - Nona-mannoside KW - Maleimide surfaces KW - Surface analysis PY - 2010 DO - https://doi.org/10.1002/sia.3255 SN - 0142-2421 SN - 1096-9918 VL - 42 SP - 1188 EP - 1192 PB - Wiley CY - Chichester AN - OPUS4-21500 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Goebbels, Jürgen A1 - Illerhaus, Bernhard A1 - Dietrich, H.-G. A1 - Neuhaus, M. ED - Brücker, C. T1 - Drucksondierungen, teufengenaue Probenahme und Präparation MKW-kontaminierter Lockersedimente T2 - 5. Workshop "Bohrlochgeophysik und Gesteinsphysik" CY - Hannover, Deutschland DA - 1999-10-07 PY - 2000 SN - 0947-1944 VL - 3 SP - 12 EP - 17 AN - OPUS4-1036 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Butz, Marcus A1 - Goebbels, Jürgen A1 - Dietrich, H.-G. A1 - Fritz, L. A1 - Neuhaus, M. T1 - Schadensfall Parchim: Drucksondierungen und Computertomographie - integrale Methoden zur Erkundung Mineralölkohlenwasserstoff-kontaminierter Lockersedimente KW - Drucksondierung KW - Mineralölkohlenwasserstoff-Kontamination KW - In situ-Erkundung KW - Gesteinstomographie KW - Parchim PY - 2000 SN - 0044-2259 VL - 46 IS - 2 SP - 84 EP - 90 PB - Schweizerbart CY - Stuttgart AN - OPUS4-955 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nietzold, Carolin A1 - Dietrich, Paul A1 - Holzweber, M. A1 - Lippitz, Andreas A1 - Kamalakumar, A. A1 - Blanchard, V. A1 - Ivanov-Pankov, S. A1 - Weigel, W. A1 - Panne, Ulrich A1 - Unger, Wolfgang T1 - Surface chemical characterization of model glycan surfaces and shelf life studies of glycan microarrays using XPS, NEXAFS spectroscopy, ToF-SIMS and fluorescence scanning N2 - Biomedical applications, including functional biomaterials, carbohydrate-arrays, and glycan-based biosensors. The chemistry of glycan immobilization plays an essential role in the bioavailability and function of surface bound carbohydrate moieties. For biomedical applications the stability over time (shelf life) of glycan arrays is a crucial factor. Herein we report on approaches for surface and interface characterization relevant to the needs of production of glycan microarrays which were tested using model carbohydrate surfaces. For detailed characterization of glycan model surfaces we used a combination of X-ray photoelectron spectroscopy (XPS), near edge X-ray absorption fine structure spectroscopy (NEXAFS) and ToF SIMS which are complementary techniques of surface chemical analysis. Links to fluorescence spectroscopy often used for characterization in the microarray community were established as well. In detail, amine-reactive silicon oxide and glass surfaces were used for anchoring oligosaccharides with an amino linker. The amount of surface bound carbohydrates was estimated by X-ray photoelectron spectroscopy (XPS). Glycan immobilization was investigated using lectins, which are glycan-binding molecules. A shelf life study of model glycan microarrays on epoxy-coated glass surfaces was done over a period of 160 days under different storage conditions utilizing fluorescence, ToF-SIMS and XPS analysis. It was shown that glycan activity of the models used can be maintained at least for half a year of storage at 4 °C. KW - Glycan microarray KW - XPS KW - NEXAFS KW - ToF-SIMS KW - Fluorescence PY - 2018 UR - https://www.sciencedirect.com/science/article/pii/S0169433218320300?via%3Dihub DO - https://doi.org/10.1016/j.apsusc.2018.07.133 SN - 0169-4332 SN - 1873-5584 VL - 459 SP - 860 EP - 873 PB - Elsevier B.V. AN - OPUS4-46212 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wetzel, Annica A1 - von der Au, Marcus A1 - Dietrich, P. M. A1 - Radnik, Jörg A1 - Özcan Sandikcioglu, Özlem A1 - Witt, Julia T1 - The comparison of the corrosion behavior of the CrCoNi medium entropy alloy and CrMnFeCoNi high entropy alloy N2 - This work presents the determination of the corrosion characteristics of CrCoNi (medium entropy alloy) and CrMnFeCoNi (high entropy alloy) in 0.1 M NaCl and 0.1 M H2SO4. The morphology and chemical composition of the oxide layers formed on CrCoNi and CrMnFeCoNi were comparatively analyzed by scanning Kelvin probe microscopy (SKPFM) and scanning electron microscopy (SEM) and supported with chemical analysis by means of inductively coupled plasma mass spectrometry (ICP-MS) and X-Ray photoelectron spectroscopy (XPS). The analysis of the 3p core level peaks showed that the oxide layer (native and after anodic passivation) on CrCoNi consisted mainly of Cr oxides, while the oxide layer on CrMnFeCoNi was primarily composed of a mixture of Cr and Fe oxides. In addition, XPS was utilized to assess the oxide layer thicknesses. These results were compared to the thicknesses obtained by means of electrochemical impedance spectroscopy (EIS), with both approaches yielding values up to about 4 nm depending on the electrolyte and the alloy. Cyclic polarization measurements indicated superior corrosion resistance of CrCoNi in both aqueous environments compared to CrMnFeCoNi, as well as to AISI 304 stainless steel. KW - Medium entropy alloy KW - High entropy alloy KW - SKPFM KW - XPS KW - Passivation KW - Corrosion PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-559902 DO - https://doi.org/10.1016/j.apsusc.2022.154171 SN - 0169-4332 VL - 601 SP - 1 EP - 10 PB - Elsevier B.V. AN - OPUS4-55990 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dietrich, P. M. A1 - Kjærvik, Marit A1 - Willneff, E. A. A1 - Unger, Wolfgang T1 - In-depth analysis of iodine in artificial biofilm model layers by variable excitation energy XPS and argon gas cluster ion sputtering XPS N2 - Here, we present a study on agarose thin-film samples that represent a model system for the exopolysaccharide matrix of biofilms. Povidone-iodide (PVP-I) was selected as an antibacterial agent to evaluate our x-ray photoelectron spectroscopy (XPS)-based methodology to trace specific marker elements, here iodine, commonly found in organic matrices of antibiotics. The in-depth distribution of iodine was determined by XPS analyses with variable excitation energies and in combination with argon gas cluster ion beam sputter cycles. On mixed agarose/PVP-I nanometer-thin films, both methods were found to solve the analytical task and deliver independently comparable results. In the mixed agarose/PVP-I thin film, we found the outermost surface layer depleted in iodine, whereas the iodine is homogeneously distributed in the depth region between this outermost surface layer and the interface between the thin film and the substrate. Depletion of iodine from the uppermost surface in the thin-film samples is assumed to be caused by ultrahigh vacuum exposure resulting in a loss of molecular iodine (I2) as reported earlier for other iodine-doped polymers. KW - Biofilm KW - XPS KW - Argon gas cluster ion sputtering KW - Variable excitation KW - Iodine PY - 2022 DO - https://doi.org/10.1116/6.0001812 SN - 1934-8630 VL - 17 IS - 3 SP - 1 EP - 8 PB - AVS AN - OPUS4-54973 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dietrich, Paul M. A1 - Lange, Nele A1 - Lippitz, Andreas A1 - Holzweber, Markus A1 - Kulak, N. A1 - Unger, Wolfgang T1 - Click chemistry on silicon nitride for biosensor fabrication N2 - Biosensors are of essential importance in medical and biological diagnostics. Often, they are produced using silane chemistry on glass or silicon oxide surfaces. However, controlling that silane chemistry is challenging. Here, we present an alternative strategy to form functional organic layers and biosensors on silicon Nitride (Si3N4). H-terminated Si3N4 films are used to generate reactive azide groups by various azidation methods. Biomolecular probes can then be immobilized using click chemistry reactions with the azide groups and due to its high sensitivity in XPS a fluorine-substituted test alkyne was utilized to optimize click chemistry conditions. After that a biotinylated alkyne was clicked to Si3N4 surfaces followed by immobilization of streptavidin as analyte in a model assay. The functionalized surfaces were thoroughly characterized by surface chemical analysis using X-ray photoelectron spectroscopy (XPS) and near edge X-ray absorption fine structure (NEXAFS)spectroscopy. KW - Biosensors KW - H-terminated Si3N4 films KW - Click chemistry KW - X-ray photoelectron spectroscopy KW - Near edge X-ray absorption fine structure KW - Streptavidin binding PY - 2019 DO - https://doi.org/10.1016/j.apsusc.2019.03.002 SN - 0169-4332 VL - 481 SP - 10 EP - 15 PB - Elsevier B.V. AN - OPUS4-48634 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hahn, Marc Benjamin A1 - Dietrich, P. M. A1 - Radnik, Jörg T1 - In situ monitoring of the influence of water on DNA radiation damage by near-ambient pressure X-ray photoelectron spectroscopy N2 - Ionizing radiation damage to DNA plays a fundamental role in cancer therapy. X-ray photoelectron-spectroscopy (XPS) allows simultaneous irradiation and damage monitoring. Although water radiolysis is essential for radiation damage, all previous XPS studies were performed in vacuum. Here we present near-ambient-pressure XPS xperiments to directly measure DNA damage under water atmosphere. They permit in-situ monitoring of the effects of radicals on fully hydrated double-stranded DNA. The results allow us to distinguish direct damage, by photons and secondary low-energy electrons (LEE), from damage by hydroxyl radicals or hydration induced modifications of damage pathways. The exposure of dry DNA to x-rays leads to strand-breaks at the sugar-phosphate backbone, while deoxyribose and nucleobases are less affected. In contrast, a strong increase of DNA damage is observed in water, where OH-radicals are produced. In consequence, base damage and base release become predominant, even though the number of strand-breaks increases further. KW - DNA KW - XPS KW - NAP-XPS KW - Radiation damage KW - Single-strand break (SSB) KW - Double-strand break (DSB) KW - Xray KW - OH radical KW - Hydroxyl radical KW - LEE KW - Low energy electrons KW - Dosimetry KW - Geant4 KW - Geant4-DNA KW - TOPAS KW - TOPAS-nbio KW - Microdosimetry KW - DNA radiation damage KW - Direct damage KW - Indirect damage KW - Quasi-direct damage KW - Hydration shell KW - Dry DNA KW - Hydrated DNA KW - ROS KW - Radical KW - Reactive oxygen species KW - Net-ionization reaction KW - Radiation therapy KW - Cancer therapy KW - Xray photo electron spectrocopy KW - Near ambient pressure xray photo electron spectroscopy KW - Base damage KW - Base loss KW - Dissociative electron transfer (DET) KW - Dissociative electron attachment (DEA) KW - Hydrated electron KW - Prehydrated electron KW - Ionization KW - PES PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-524060 DO - https://doi.org/10.1038/s42004-021-00487-1 SN - 2399-3669 VL - 4 IS - 1 SP - 50 PB - Springer Nature CY - London AN - OPUS4-52406 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hallier, Dorothea C. A1 - Radnik, Jörg A1 - Dietrich, Paul M. A1 - Seitz, Harald A1 - Hahn, Marc Benjamin T1 - Radiation damage to amino acids, peptides and DNA-binding proteins: the influence of water directly monitored by X-ray photoelectron spectroscopy N2 - Ionizing radiation damage to biomolecules plays a crucial role in radiotherapy as a cancer treatment. Among these, DNA-binding proteins are of particular interest due to their pivotal roles in shielding DNA and facilitating its repair. Hence, in this study, we present first-ever recorded data of radiation damage to a protein monitored directly with near-ambient pressure (NAP) X-ray photoelectron spectroscopy (XPS) under a water atmosphere. This surface sensitive technique was used to in situ damage and probe gene-V protein (G5P, a model DNA-binding protein) under wet NAP conditions and dry vacuum (UHV) conditions to determine the effect of water on the radiation response. In addition, the X-ray radiation damage to selected pure amino acids and short homopeptides was determined to better understand the variety of damage mechanisms within the complex protein. In dry samples, drastic chemical changes were detected in all biomolecules dominated by fragmentation processes. Here, the breakage of peptide bonds in the peptides and the protein are dominant. Surprisingly, hydration – despite introducing additional indirect damage pathways via water radiolysis – led to a reduction in overall radiation damage. This behaviour was attributed to hydration-dependent changes in reaction rates and respective deexcitation and damaging channels within the molecules and secondary species such as low-energy (LEE), (pre)-hydrated/(pre)-solvated electrons and radical species such as hydroxyl radicals. KW - Radiation damage KW - (Near-ambient pressure) X-ray photoelectron spectroscopy KW - Ultra-high vacuum PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647565 DO - https://doi.org/10.1039/d5cp01887k VL - 27 IS - 48 SP - 1 EP - 22 PB - Royal Society of Chemistry AN - OPUS4-64756 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kjaervik, Marit A1 - Dietrich, P. M. A1 - Thissen, A. A1 - Radnik, Jörg A1 - Nefedov, A. A1 - Natzeck, C. A1 - Wöll, C. A1 - Unger, Wolfgang T1 - Application of near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS) in an in-situ analysis of the stability of the surface-supported metal-organic framework HKUST-1 in water, methanol and pyridine atmospheres N2 - Surface-supported metal-organic frameworks HKUST-1 (Hong Kong University of Science and Technology) were used as a model system for a development of a near ambient pressure (NAP) XPS based approach to investigate interaction with atmospheres of water, methanol or pyridine at pressures ranging from 1 to 4 mbar. The films were grown on a gold substrate functionalized with a COOH-terminated self-assembled monolayer using liquidphase epitaxy in a step-by-step fashion. Measurement protocols were developed and optimised for different gases in order to obtain spectra of similar quality in terms of signal intensity, noise and shape. Peak shapes were found to depend on the efficiency of charge compensation. Reference measurements in argon proved to be a useful strategy not only for the evaluation of the Cu(II)-fraction in pristine samples, but also to identify the contributions by the respective gas atmosphere to the C 1s and O 1s photoelectron spectra. Reduced copper was found during the exposition of HKUST-1 to water vapour and pyridine, but this effect was not observed in case of methanol. Additionally, it was established that there are no changes in relative Cu(II) percentage with increasing exposure time. This indicates that saturation was reached already at the lowest time of gas exposure. A detailed elucidation of the mechanism of Cu(II) reduction to Cu(I) in HKUST-1 mediated by water and pyridine is part of ongoing work and not in the scope of the present paper. KW - HKUST-1 KW - Near-ambient pressure X-ray photoelectron spectroscopy KW - Metal-organic frameworks KW - Interaction with atmospheres KW - Water PY - 2021 DO - https://doi.org/10.1016/j.elspec.2020.147042 SN - 0368-2048 IS - 247 SP - 147042 PB - Elsevier B.V. CY - Amsterdam, Netherlands AN - OPUS4-52098 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Edzards, Joshua A1 - Saßnick, Holger-Dietrich A1 - de Oliveira Guilherme Buzanich, Ana A1 - Valencia, Ana M. A1 - Emmerling, Franziska A1 - Beyer, Sebastian A1 - Cocchi, Caterina T1 - Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks N2 - Due to their favorable properties and high porosity, zeolitic imidazolate frameworks (ZIFs) have recently received much limelight for key technologies such as energy storage, optoelectronics, sensorics, and catalysis. Despite widespread interest in these materials, fundamental questions regarding the zinc coordination environment remain poorly understood. By focusing on zinc(II)2-methylimidazolate (ZIF-8) and its tetrahedrally coordinated analogues with Br-, Cl-, and H-substitution in the 2-ring position, we aim to clarify how variations in the local environment of Zn impact the charge distribution and the electronic properties of these materials. Our results from densityfunctional theory confirm the presence of a Zn coordinative bond with a large polarization that is quantitatively affected by different substituents on the organic ligand. Moreover, our findings suggest that the variations in the Zn coordination induced by the functionalization have a negligible effect on the electronic structure of the considered compounds. On the other hand, halogen terminations of the ligands lead to distinct electronic contributions in the vicinity of the frontier region which ultimately reduce the band gap size by a few hundred millielectron volts. Experimental results obtained from X-ray absorption spectroscopy (Zn K-edge) confirm the trends predicted by theory and, together with them, contribute to a better understanding of the structure−property relationships that are needed to tailor ZIFs for target applications. KW - Surfaces KW - Physical and Theoretical Chemistry KW - General Energy KW - Electronic KW - Coatings and Films KW - Optical and Magnetic Materials PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589117 DO - https://doi.org/10.1021/acs.jpcc.3c06054 SN - 1932-7447 VL - 127 IS - 43 SP - 21456 EP - 21464 PB - American Chemical Society (ACS) AN - OPUS4-58911 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dietrich, M. T1 - Facile Conversion of RAFT Polymers into Hydroxyl Functional Polymers: A Detailed Investigation of Variable Monomer and RAFT Agent Combinations T2 - Controlled/Living Radical Polymerizations: Latest Trends in Synthesis, Characterization and Industrial Applications CY - Houffalize, Belgium DA - 2009-09-17 PY - 2009 AN - OPUS4-19991 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kjaervik, Marit A1 - Schwibbert, Karin A1 - Dietrich, P.M. A1 - Unger, Wolfgang T1 - NAP-XPS spectra of the bacterial cell-envelope of Pseudomonas fluorescens bacteria N2 - Pseudomonas fluorescens (Gram-negative) bacteria purchased from Leibniz Institute DSMZ-German Collection of Microorganisms and Cell Cultures were analyzed using high-resolution x-ray photoelectron spectroscopy at near ambient pressure conditions (NAP-XPS), 1500 Pa water vapor atmosphere. Fresh layers of P. fluorescence bacteria were grown on Luria Broth agar plates. Bacteria were taken from the agar plate with a sterile spatula and gently spread on a Si-wafer piece for NAP-XPS analysis. The NAP-XPS spectra of the bacterial envelope of P. fluorescence were obtained using monochromatic Al Kα radiation and include a survey scan and high-resolution spectra of C 1s, N 1s, P 2p, and O 1s as well. The presentation of the C 1s high-resolution spectrum includes the results of peak fitting analysis. KW - Pseudomonas fluorescens KW - Cell-envelope KW - Water atmosphere KW - Near ambient x-ray photoelectron spectroscopy KW - NAP-XPS PY - 2022 DO - https://doi.org/10.1116/6.0001543 SN - 1055-5269 VL - 29 IS - 1 SP - 014008-1 PB - AVS AN - OPUS4-54464 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -