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The research leading to this result has been supported by the project CALIPSOplus under Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020.

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Publications from user projects which were carried out at the one of the CALIPSOplus facilities and were supported by the CALIPSOplus TNA program:

Publications 2021
  1. Abdelmouleh, M. et al. X-ray photoabsorption-induced processes within protonated rifamycin sodium salts in the gas phase. Eur. Phys. J. D 75, 74 (2021). DOI 
  2. Acosta, S. et al. Nd3+-Doped TiO2 Nanoparticles as Nanothermometer: High Sensitivity in Temperature Evaluation inside Biological Windows. Sensors 21, 5306 (2021). DOI 
  3. Adhireksan, Z. et al. Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Research 49, e52 (2021). DOI 
  4. Alabarse, F. G. et al. High-Pressure Synthesis and Gas-Sensing Tests of 1-D Polymer/Aluminophosphate Nanocomposites. ACS App. Mater. Interfaces 13, 27237 (2021). DOI 
  5. Almeida, A. V. et al. Structural features and stability of apo- and holo-forms of a simple iron-sulfur protein. European Biophysics Journal 50, 561–570 (2021). DOI 
  6. Altin, S. et al. Magnetic Properties and Environmental Temperature Effects on Battery Performance of Na0.67Mn0.5Fe0.5O2. Energy Technology 9, 200130 (2021). DOI
  7. Amelot, D. et al. Deciphering Electron Interplay at the Fullerene/Sputtered TiOx Interface: A Barrier-Free Electron Extraction for Organic Solar Cells. ACS App. Mater. Interfaces 13, 19460 (2021). DOI 
  8. An, Z. et al. Multiple structural components and their competition in the intermediate state of antiferroelectric Pb(Zr,Ti)O3. Physical Review B 103, 054113 (2021). DOI 
  9. Andrés, M. A. et al. Solvent-exchange process in MOF ultrathin films and its effect on CO2 and methanol adsorption. Journal of Colloid and Interface Science 590, 72-81 (2021). DOI 
  10. Armillotta, F. et al. Self-metalation of porphyrins at the solid-gas interface. Angewandte Chemie International Edition 60, 25988 (2021). DOI 
  11. Artyukov, I. A. et al. Study of sodium depositions in heart interstitium using methods of X-ray absorption and X-ray fluorescence microscopy. Proceedings of SPIE 11886, 1188615 (2021). DOI 
  12. Artyukov, I. A. et al. The first observation of osmotically neutral sodium accumulation in the myocardial interstitium. Scientific Reports 11, 22025 (2021). DOI 
  13. Asthana, P. et al. Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis. IUCrJ 8, 757-774 (2021). DOI 
  14. Asvany, O. et al. Vibrational spectroscopy of H2He+ and D2He+. Journal of Molecular Spectroscopy 377, 111423 (2021). DOI 
  15. Avvisati, G. et al. Tuning the Magnetic Coupling of a Molecular Spin Interface via Electron Doping. Nano Letters 21, 666 (2021). DOI 
  16. Balogh, R. K. et al. A study on the secondary structure of the metalloregulatory protein CueR: effect of pH, metal ions and DNA. European Biophysics Journal 50, 491–500 (2021). DOI 
  17. Bardelli, F. et al. Asbestos bodies count and morphometry in bulk lung tissue samples by non-invasive X-ray micro-tomography. Scientific Reports 11, 10608 (2021). DOI 
  18. Beltran, V. et al. Nanoscale analysis of historical paintings by means of O-PTIR spectroscopy: The identification of the organic particles in L’Arlésienne (portrait of Madame Ginoux) by Van Gogh. Angewandte Chemie International Edition 60, 22753 (2021). DOI 
  19. Bockova, J. et al. Chiroptical activity of hydroxycarboxylic acids with implications for the origin of biological homochirality. Communications Chemistry 4, 86 (2021). DOI 
  20. Bommanaboyena, S. P. et al. Readout of an antiferromagnetic spintronics system by strong exchange coupling of Mn2Au and Permalloy. Nature Communications 12, 6539 (2021). DOI 
  21. Boyle, T.J. et al. Large response of charge stripes to uniaxial stress in La1.475Nd0.4Sr0.125CuO4. Physical Review Research 3, L022004 (2021). DOI 
  22. Brinkmann, I. et al. Foraminiferal Mn/Ca as bottom-water hypoxia proxy: an assessment of Nonionella stella in the Santa Barbara Basin, USA. Paleoceanography and Paleoclimatology 36, e2020PA004167 (2021). DOI 
  23. Cerra, S. et al. Binuclear organometallic Pt(II) complexes as stabilizing ligands for gold and silver metal nanoparticles. Inorganica Chimica Acta 516, 120170/1-11 (2021). DOI 
  24. Chen, C.-H. et al. Magnetic Hysteresis at 10 K in Single Molecule Magnet Self‐Assembled on Gold. Advanced Science 8, 2000777 (2021). DOI 
  25. Chen, D. et al. Surface oxidation of Ni-cermet electrodes by CO2 and H2O and how to moderate it. Journal of Energy Chemistry 67, 300-308 (2021). DOI 
  26. Chiavarino, B. et al. Binding Motifs in the Naked Complexes of Target Amino Acids with an Excerpt of Antitumor Active Biomolecule: An Ion Vibrational Spectroscopy Assay. Chemistry – A European Journal 27, 2348 (2021). DOI 
  27. Chicharro, D. V. et al. Threshold Photoelectron Spectroscopy of the CH2I, CHI, and CI Radicals. The Journal of Physical Chemistry A 125, 6122 (2021). DOI 
  28. Cholakova, D. et al. Rotator phases in hexadecane emulsion drops revealed by X-ray synchrotron techniques. Journal of Colloid and Interface Science 604, 260-271 (2021). DOI 
  29. Cimini, A. et al. Influence of the Alkyl Chain Length on the Low Temperature Phase Transitions of Imidazolium Based Ionic Liquids. J. Solution Chem. (2021). DOI 
  30. Corinti, D. et al. Molecular Properties of Bare and Microhydrated Vitamin B5-Calcium Complexes. International Journal of Molecular Sciences 22, 692 (2021). DOI 
  31. Couto, R.C. et al. Breaking inversion symmetry by protonation: experimental and theoretical NEXAFS study of the diazynium ion, N2H+. Phys. Chem. Chem. Phys. 23, 17166 (2021). DOI 
  32. Dalgaard, K. J. et al. Local structure of Nb in superconducting Nb-doped Bi2Se3. Physical Review B 103, 184103 (2021). DOI 
  33. Davì, R. et al. Graphene growth on Ni(111) by CO exposure at near ambient pressure. Chemical Physics Letters 774, 138596 (2021). DOI 
  34. Delgado-Callico, L. et al. Benchmarking density functional theory methods for modelling cationic metal–argon complexes. Theoretical Chemistry Accounts 140, 38 (2021). DOI 
  35. Divins. N. J. et al. Operando high-pressure investigation of size-controlled CuZn catalysts for the methanol synthesis reaction. Nature Communications 12, 1435 (2021). DOI 
  36. Dupont Juhl, A. et al. Niemann Pick C2 protein enables cholesterol transfer from endo-lysosomes to the plasma membrane for efflux by shedding of extracellular vesicles. Chem. Phys. Lipids 235, 105047 (2021). DOI 
  37. Duran, A. T. et al. Vibronic interaction in trans-dichloroethene studied by vibration- and angle-resolved photoelectron spectroscopy using 19–90 eV photon energy. The Journal of Chemical Physics 154, 094303 (2021). DOI 
  38. Endres, C. P. et al. SOLEIL and ALMA views on prototypical organic nitriles: C2H5CN. Journal of Molecular Spectroscopy 375, 111392 (2021). DOI 
  39. Ewert, M. et al. The Transition From MoS2 Single-Layer to Bilayer Growth on the Au(111) Surface. Frontiers in Physics 9, 244 (2021). DOI 
  40. Fabian, M. et al. Lanthanide (Ce, Nd, Eu) environments and leaching behavior in borosilicate glasses. Scientific Reports 11, 13272 (2021). DOI 
  41. Fedorov, A. V. et al. Insight into the Temperature Evolution of Electronic Structure and Mechanism of Exchange Interaction in EuS. Journal of Physical Chemistry Letters 12, 8328 (2021). DOI 
  42. Ferté, T. et al. Laser induced ultrafast 3d and 4f spin dynamics in CoDy ferrimagnetic alloys as a function of temperature. Journal of Magnetism and Magnetic Materials 530, 167883 (2021). DOI https://doi.org/10.1016/j.jmmm.2021.167883
  43. Fragkos, S. et al. Topological surface states in epitaxial (SnBi2Te4 )n (Bi2Te3)m natural van der Waals superlattices. Physical Review Materials 5, 014203 (2021). DOI 
  44. Freitas, R. O. et al. Nano-Infrared Imaging of Primary Neurons. Cells 10, 2559 (2021). DOI 
  45. Fumega, A.O. et al. Spectroscopy of the frustrated quantum antiferromagnet Cs2CuCl4. J. Phys.: Condens. Matter 33, 495603 (2021). DOI 
  46. Gaina, R. et al. Long-ranged Cu-based order with dz2 orbital character at a YBa2Cu3O7/ manganite interface. Npj Quantum Materials 6, 12 (2021). DOI 
  47. Gaina, R. et al. Magnetic field dependence of the copper charge density wave order in aYBa2Cu3O7/Nd0.65(Ca0.7Sr0.3)0.35MnO3 superlattice. Physical Review B 104, 174513 (2021). DOI 
  48. Gámez, A.-M. et al. Proton in the ring: spectroscopy and dynamics of proton bonding in macrocycle cavities. Phys. Chem. Chem. Phys. 23, 21532 (2021). DOI 
  49. Garvas, M. et al. Single cell temperature probed by Eu+3 doped TiO2 nanoparticles luminescence. Nano Select 2, 1208 (2021) DOI 
  50. Gerlach, M. et al. Fragmentation of isocyanic acid, HNCO, following core excitation and ionization. Journal of Chemical Physics 154, 114302 (2021). DOI 
  51. Graham, A. J. et al. Ghost anti-crossings caused by interlayer umklapp hybridization of bands in 2D heterostructures. 2D Materials 8, 15016 (2021). DOI 
  52. Gundacker, S. et al. Vacuum ultraviolet silicon photomultipliers applied to BaF2 cross-luminescence detection for high-rate ultrafast timing applications. Physics in Medinice and Biology 66, 114002 (2021). DOI 
  53. Haddad Momeni, M. et al. Discovery of fungal oligosaccharide-oxidising flavo-enzymes with previously unknown substrates, redox-activity profiles and interplay with LPMOs. Nature Communications 12, 2132 (2021). DOI 
  54. Hemian, Y. et al. Surface charge induced Dirac band splitting in a charge density wave material (TaSe4)2I. Physical Review Research 3, 13271 (2021). DOI 
  55. Hernández, O. et al. Magnetic field dependent cycloidal rotation in pristine and Ge-doped CoCr2O4. Physical Review B 103, 85123 (2021). DOI 
  56. Hou, G.-L. et al. Water Splitting by C60-Supported Vanadium Single Atoms. Angewandte Chemie International Edition 60, 27095 (2021). DOI 
  57. Hrdá, J. et al. Tuning the charge carrier mobility in few-layer PtSe2 films by Se : Pt ratio. RSC Advances 11, 27272 (2021). DOI 
  58. Ioppolo, S. et al. Vacuum ultraviolet photoabsorption spectroscopy of space-related ices: formation and destruction of solid carbonic acid upon 1 keV electron irradiation. Astronomy & Astrophysics 646, A172 (2021). DOI 
  59. Jacinto, J. P. et al. Dps-DNA interaction in Marinobacter hydrocarbonoclasticus protein: effect of a single-charge alteration. European Biophysics Journal 50, 513–521 (2021). DOI 
  60. Jankowska-Sumara, I. et al. Incommensurately modulated structures in Pb(Zr1−xSnx)O3 single crystals by x-ray diffraction. APL Materials 9, 021101 (2021). DOI 
  61. Juge, R. et al. Helium ions put magnetic skyrmions on the track. Nano Letters 21, 2989 (2021). DOI 
  62. Khanin, V. et al. Exciton interaction with Ce3+ and Ce4+ ions in (LuGd)(3)(Ga, Al)(5)O-12 ceramics. Journal of Luminescence 237, 118150 (2021). DOI 
  63. Kharitonov, K. et al. Flexible ptychography platform to expand the potential of imaging at free electron lasers. Optics Express 29, 22345 (2021). DOI 
  64. Kook, M. et al. Ion fragmentation study of [EMMIM][TFSI], [EMIM][OTf] and [EMIM][DCA] by vacuum ultraviolet light. International Journal of Mass Spectrometry 471, 116732 (2021). DOI 
  65. Kovacevic, E. et al. Thermal stability studies of plasma deposited hydrogenated carbon nitride nanostructures. Carbon 184, 82-90 (2021). DOI 
  66. Krska, D. et al. Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii. Biochemistry 60, 2206 (2021). DOI 
  67. Krüger, B. et al. Kahlenbergite KAl11O17, a new β-alumina mineral and Fe-rich hibonite from the Hatrurim Basin, the Negev desert, Israel. European Journal of Mineralogy 33, 341 (2021). DOI 
  68. Kuusik, I. et al. Ionic Liquid Vapors in Vacuum: Possibility to Derive Anodic Stabilities from DFT and UPS. ACS OMEGA 6, 5255 (2021). DOI 
  69. Kuznetsov, V. et al. Neutron spectroscopy study of the diffusivity of hydrogen in MoS2. Physical Chemistry Chemical Physics 23, 7961 (2021). DOI 
  70. Lashkov, I. et al. Modulation Doping for Threshold Voltage Control in Organic Field-Effect Transistors. ACS Applied Materials and Interfaces 13, 8664 (2021). DOI 
  71. Li, J. et al. 20.8% Slot-Die Coated MAPbI(3) Perovskite Solar Cells by Optimal DMSO-Content and Age of 2-ME Based Precursor Inks. Advanced Energy Materials 11, 2003460 (2021). DOI 
  72. Li, W. et al. Multiple valence electron detachment following Auger decay of inner-shell vacancies in gas-phase DNA. Chemical Science 12, 13177 (2021). DOI 
  73. Licursi, V. et al. Transcriptional modulations induced by proton irradiation in mice skin in function of adsorbed dose and distance. Journal of Radiation Research and Applied Sciences 14, 260 (2021). DOI 
  74. Lin, P.-C. et al. Doping Graphene with Substitutional Mn. ACS Nano 15, 5449 (2021). DOI 
  75. Man, G.J. et al. Electronic coupling between the unoccupied states of the organic and inorganic sublattices of methylammonium lead iodide: A hybrid organic-inorganic perovskite single crystal. Physical Review B 104, L041302 (2021). DOI 
  76. Manzi, J. et al. Monoclinic and Orthorhombic NaMnO2 for Secondary Batteries: A Comparative Study. Energies 14, 1230 (2021). DOI 
  77. Melosso, M. et al. First detection of NHD and ND2 in the interstellar medium. Astronomy & Astrophysics 641, A153 (2021). DOI 
  78. Mendes, M. et al. Excited States of Bromopyrimidines Probed by VUV Photoabsorption Spectroscopy and Theoretical Calculations. International Journal of Molecular Sciences 22, 6460 (2021). DOI 
  79. Metarapi, D. et al. Laser ablation-single-particle-inductively coupled plasma mass spectrometry as a multimodality bioimaging tool in nano-based omics. Environmental Science: Nano 8, 647-656 (2021). DOI 
  80. Micsonai, A. et al. BeStSel: From Secondary Structure Analysis to Protein Fold Prediction by Circular Dichroism Spectroscopy. Methods in Molecular Biology 2199, 175-189 (2021). DOI 
  81. Moissidou, D. et al. Mummified Embalmed Head Skin: SR-FTIR Microspectroscopic Exploration. Spectrochimica Acta Part A 261, 1200073 (2021). DOI
  82. Mosnier, J. P. et al. Photoionization Cross-Sections of Carbon-Like N+ Near the K-Edge (390–440 eV). Atoms 9, 27 (2021). DOI 
  83. Murvai, N. et al. Cellular Chaperone Function of Intrinsically Disordered Dehydrin ERD14. International Journal of Molecular Sciences 22, 6190 (2021). DOI 
  84. Mustonen, V. et al. Crystal and solution structure of NDRG1, a membrane-binding protein linked to myelination and tumour suppression. Febs Journal 288, 3507 (2021). DOI 
  85. Navarro-Quezada, A. et al. Unravelling the local crystallographic structure of ferromagnetic γ′‑GayFe4−yN nanocrystals embedded inGaN. Scientific Reports 11, 2862 (2021). DOI 
  86. Neeraj, K. et al. Inertial spin dynamics in ferromagnets. Nature Physics 17, 245 (2021). DOI 
  87. Nguyen, G. T. T. et al. Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations. Frontiers in Molecular Biosciences 7, 631232 (2021). DOI 
  88. Nukala, P. et al. Reversible oxygen migration and phase transitions in hafnia-based ferroelectric devices. Science 372, 630 (2021). DOI 
  89. Paciotti, R. et al. From Preassociation to Chelation: A Survey of Cisplatin Interaction with Methionine at Molecular Level by IR Ion Spectroscopy and Computations. Journal of the American Society for Mass Spectrometry 32, 2206 (2021). DOI 
  90. Pallach, R. et al. Frustrated flexibility in metal-organic frameworks. Nature Communications 12, 4097 (2021). DOI 
  91. Pallesen, J. S. et al. Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. Journal of Medicinal Chemistry 64, 4623-4661 (2021). DOI 
  92. Palumbo, O. et al. Evidence of the CH···O HydrogenBonding in Imidazolium-Based Ionic Liquids from Far-Infrared Spectroscopy Measurements and DFT Calculations. International Journal of Molecular Sciences 22, 6155 (2021). DOI 
  93. Palumbo, O. et al. Inter- and Intramolecular Interactions in Ether-Functionalized Ionic Liquids. Journal of Physical Chemistry B 125, 2380–2388 (2021). DOI 
  94. Palumbo, O. et al. New insights into chloromethyl-oxirane and chloromethyl-thiirane in liquid and solid phase from low-temperature infrared spectroscopy and ab initio modeling. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 247, 119061 (2021). DOI 
  95. Paluszkiewicz, C. et al. Tracking of the biochemical changes upon pleomorphic adenoma progression using vibrational microspectroscopy. Scientific Reports 11, 18010 (2021). DOI 
  96. Patanen, M. et al. Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole: A combined experimental-theoretical study. Journal of Chemical Physics 155, 54304 (2021). DOI 
  97. Pereira-da-Silva, J. et al. Perfluoro effect on the electronic excited states of para-benzoquinone revealed by experiment and theory. Phys. Chem. Chem. Phys. 23, 2141 (2021). DOI 
  98. Pihlava, L. et al. Photodissociation dynamics of halogenated aromatic molecules: the case of core-ionized tetrabromothiophene. Phys. Chem. Chem. Phys. 23, 21249 (2021). DOI 
  99. Ramos, J. et al. Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme. IUCrJ 8, 372-386 (2021). DOI 
  100. Ratié, G. et al. Cadmium Isotope Fractionation during Complexation with Humic Acid. Environmental Science & Technology 55, 7430–7444 (2021). DOI 
  101. Rich, B. et al. Retention of Surface Structure Causes Lower Density in Atomic Layer Deposition of Amorphous Titanium Oxide Thin Films. Phys. Chem. Chem. Phys. 23, 6600 (2021). DOI 
  102. Richardson, V. et al. The reactivity of methanimine radical cation (H2CNH •+) and its isomer aminomethylene (HCNH2•+) with methane. Chemical Physics Letters 775, 138611 (2021). DOI https://doi.org/10.1016/j.cplett.2021.138611
  103. Rodgers, G. et al. Virtual histology of an entire mouse brain from formalin fixation to paraffin embedding. Part 1: Data acquisition, anatomical feature segmentation, tracking global volume and density changes. Journal of Neuroscience Methods 364, 109354 (2021). DOI 
  104. Rodgers, G. et al. Impact of fixation and paraffin embedding on mouse brain morphology: a synchrotron radiation-based tomography study. Proceedings of SPIE 11840, 118400P (2021). DOI 
  105. Rodgers, G. et al. Non-rigid registration to determine strain fields during mouse brain fixation and embedding. Proceedings of SPIE 11586, 115860I (2021). DOI 
  106. Rodríguez, L. et al. Strong strain gradients and phase coexistence at the metal-insulator transition in VO2 epitaxial films. Acta Materialia 220, 11736/1-11 (2021). DOI 
  107. Ruzza, P. et al. Free radicals and ROS induce protein denaturation by UV photostability assay. International Journal of Molecular Sciences 22, 6512 (2021). DOI 
  108. Sarac, B. et al. Transition metal-based high entropy alloy microfiber electrodes: Corrosion behavior and hydrogen activity. Corrosion Science 193, 109880 (2021). DOI 
  109. Sgarbossa, F. et al. Phosphorus precursors reactivity versus hydrogenated Ge surface: towards a reliable self-limited monolayer doping. Applied Surface Science 541, 148532 (2021). DOI 
  110. Shen, S. et al. Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model. Journal of Medicinal Chemistry 64, 4810 (2021). DOI 
  111. Sievers, G. W. et al. Self-supported Pt–CoO networks combining high specific activity with high surface area for oxygen reduction. Nature Materials 20, 208–213 (2021). DOI 
  112. Singh, H. et al. Unveiling interactions of non-metallic inclusions within advanced ultra-high-strength steel: A spectro-microscopic determination and first-principles elucidation. Scripta Materialia 197, 113791 (2021). DOI 
  113. Solomon, G. et al. NiMoO4@Co3O4 Core–Shell Nanorods: In Situ Catalyst Reconstruction toward High Efficiency Oxygen Evolution Reaction. Advanced Energy Materials 11, 2101324 (2021). DOI 
  114. Sprenger, J. et al. Guest-protein incorporation into solvent channels of a protein host crystal (hostal). Acta Crystallographica Section D 77, 471 (2021). DOI 
  115. Srinath, N. V. et al. Behaviour of Platinum-Tin during CO2-assisted propane dehydrogenation: Insights from quick X-ray absorption spectroscopy. Journal of Catalysis (2021). DOI 
  116. Stöger, B. et al. Mg(H2O)2[TeO2(OH)4]: a polytypic structure with a two-mode disordered stacking arrangement. Acta Crystallographica Section B B77, 605 (2021). DOI 
  117. Stromsheim, M. D. et al. Segregation dynamics of a Pd-Ag surface during CO oxidation investigated by NAP-XPS. Catalysis Today 6, 4154 (2021). DOI 
  118. Sundelin, D. et al. The reactivity of methanimine radical cation (H2CNH•+) and its isomer aminomethylene (HCNH2•+) with C2H4. Chemical Physics Letters 777, 138677 (2021). DOI 
  119. Svanström, S. et al. X-ray stability and degradation mechanism of lead halide perovskites and lead halides. Physical Chemistry Chemical Physics 23, 12479-12489 (2021). DOI 
  120. Szymoński, K. et al. Spectroscopic screening of pancreatic cancer. Clinical Spectroscopy 3, 100016 (2021). DOI 
  121. Tanner, B. K. et al. X-ray imaging of silicon die within fully packaged semiconductor devices. Powder Diffraction 36, 78-84 (2021). DOI 
  122. Thürmer, S. et al. Accurate vertical ionization energy and work function determinations of liquid water and aqueous solutions. Chemical Science 12, 10558 (2021). DOI 
  123. Triolo, A. et al. Structure and vibrational features of the protic ionic liquid 1,8-diazabicyclo[5.4.0]-undec-7-ene-8-ium bis(trifluoromethanesulfonyl)amide, [DBUH][TFSI]. Journal of Molecular Liquids (2021). DOI 
  124. Turnbull, L. A. et al. Tilted X-Ray Holography of Magnetic Bubbles in MnNiGa Lamellae. ACS Nano 15, 387–395 (2021). DOI 
  125. Ukleev, V. et al. Frustration-driven magnetic fluctuations as the origin of the low-temperature skyrmion phase in Co7Zn7Mn6. npj Quantum Materials 6, 40 (2021). DOI 
  126. Ukleev, V. et al. Signature of anisotropic exchange interaction revealed by vector-field control of the helical order in a FeGe thin plate. Physical Review Research 3, 013094 (2021). DOI 
  127. Utsumi, Y. et al. Pressure evolution of the electronic structure of non-centrosymmetric EuRhGe3. Electronic Structure 3, 034002 (2021). DOI 
  128. Vanni, M. et al. Interlayer Coordination of Pd–Pd Units in Exfoliated Black Phosphorus. Journal of the American Chemical Society 143, 10088 (2021). DOI 
  129. Verbeeck, M. et al. Mechanisms of antimony ageing in soils: An XAS study. Applied Geochemistry 128, 104936 (2021). DOI 
  130. Wang, S. J. et al. Vacuum processed large area doped thin-film crystals: a new approach for high-performance organic electronics. Materials Today Physics 17, 100352 (2021). DOI 
  131. Wang, X. et al. Site-selective soft X-ray absorption as a tool to study protonation and electronic structure of gas-phase DNA. Phys. Chem. Chem. Phys. 23, 11900 (2021). DOI 
  132. Watson, M. D. et al. Strong-coupling charge density wave in monolayer TiSe2. 2D Materials 8, 015004 (2021). DOI 
  133. Wilk, P. et al. Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum. International Journal of Molecular Sciences 21, 9570 (2021). DOI 
  134. Wu, Z. et al. Revealing the Heavy Quasiparticles in the Heavy-Fermion Superconductor CeCu2Si2. Physical Review Letters 127, 67002 (2021). DOI 
  135. Zárybnická, L. et al. Properties enhancement of magnesium phosphate cement by cross-linked polyvinyl alcohol. Ceramics International 48, 1947 (2021). DOI 
  136. Zhang, J. et al. A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging. Nature Communications 12, 11 (2021). DOI 
Publications 2020
  1. Abdelmouleh, M. et al. Mass Spectral Signatures of Complex Post-Translational Modifications in Proteins: A Proof-of-Principle Based on X-ray Irradiated Vancomycin. J. Am. Soc.Mass Spectr. 31, 1738 (2020). DOI
  2. Abdelmouleh, M. et al. Photoinduced Processes within Noncovalent Complexes Involved in Molecular Recognition. Chem. Eur. J. 26, 2243 (2020). DOI
  3. Abid, A. R. et al. Electron-ion coincidence spectroscopy of a large organic molecule: photofragmentation of avobenzone after valence and core ionisation. Journal of Physics B 53, 244001 (2020). DOI 
  4. Abid, A. R. et al. The effect of relative humidity on CaCl2 nanoparticles studied by soft X-ray absorption spectroscopy. RSC Advances 11, 2103 (2020). DOI 
  5. Abrenica, G. H. A. et al. Atomic-scale investigations on the wet etching kinetics of Ge versus SiGe in acidic H2O2 solutions: a post operando synchrotron XPS analysis. Journal of Materials Chemistry C 8, 10060 (2020). DOI
  6. Albisetti, E. et al. Optically Inspired Nanomagnonics with Nonreciprocal Spin Waves in Synthetic Antiferromagnets. Adv. Mater. 32, 1906439 (2020). DOI
  7. Altin, S. et al. An investigation of the improvement in energy storage performance of Na2/3Mn1/2Fe1/2O2 by systematic Al-substitution. Journal of Materials Science: Materials in Electronics 31, 14784 (2020). DOI
  8. Araizi-Kanoutas, G. et al. Co valence transformation in isopolar LaCoO3 / LaTiO3 perovskite heterostructures via interfacial engineering. Phys. Rev. Materials 4, 026001 (2020). DOI
  9. Ateba Mba, J.-M. et al. Ceramic synthesis of disordered lithium rich oxyfluoride materials. Journal of Power Sources 467, 228230 (2020). DOI 
  10. Aviles-Moreno, J. R. et al. Multipodal coordination and mobility of molecular cations inside the macrocycle valinomycin. Phys. Chem. Chem. Phys. 22, 19725 (2020). DOI 
  11. Babaryk, A. A. et al. Bis-3,5-Diamino-1,2,4-Triazolyl-1,2,4,5-Tetrazine: From Insensitive High Energy Density Materials to Small Molecule Organic Semiconductors. Cryst. Growth Des. 20, 6510 (2020). DOI 
  12. Belova, V. et al. Structure-Dependent Charge Transfer in Molecular Perylene-Based Donor/Acceptor Systems and Role of Side Chains. Journal of Physical Chemistry C 124, 11639 (2020). DOI 
  13. Ben Ltaief, L. et al. Electron transfer mediated decay of alkali dimers attached to He nanodroplets. Phys. Chem. Chem. Phys. 22, 8557 (2020). DOI
  14. Berenbeim, J. A. et al. Unravelling the Keto-Enol Tautomer Dependent Photochemistry and Degradation Pathways of the Prtonated UVA Filter Avobenzone. J. Phys. Chem. A 214, 2919 (2020). DOI
  15. Berenbeim, J.A. et al. Sodium cationization can disrupt the intramolecular hydrogen bond that mediates the sunscreen activity of oxybenzone. Phys. Chem. Chem. Phys. 22, 19522 (2020). DOI 
  16. Bernardo, V. et al. On the interaction of infrared radiation and nanocellular polymers: First experimental determination of the extinction coefficient. Colloids Surf A: Physicochem Eng. Aspects 600, 124937 (2020). DOI 
  17. Birch, M. T. et al. Real-space imaging of confined magnetic skyrmion tubes. Nature Comm. 11, 1726 (2020). DOI
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  179. Tian, S. et al. Magnetic topological insulator MnBi6Te10 with a zero-field ferromagnetic state and gapped Dirac surface states. Physical Review B 102, 35144 (2020). DOI 
  180. Trequattrini, F. et al. Temperature and Pressure Dependence of the Infrared Spectrum of 1-Ethyl-3-Methylimidazolium Trifluoromethanesulfonate Ionic Liquid. Applied Sciences-Basel 10, 4404 (2020). DOI 
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  183. Ukleev, V. et al. Metastable solitonic states in the strained itinerant helimagnet FeGe. Physical Review B 102, 014416 (2020). DOI 
  184. Utsumi, Y. et al. Electronic Structure of Yb(Ni1?xCox)3Ga9 Studied by Angle-resolved Photoelectron Spectroscopy. J. Phys. Soc. Jpn. 89, 044711 (2020). DOI
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Publications 2019
  1. Abd Elhameed, H. A. H. et al. Purification of proteins with native terminal sequences using a Ni(II)-cleavable C-terminal hexahistidine affinity tag, Protein Expr. Purif. 159, 53 (2019). DOI
  2. Akhtar, P. et al. Anisotropic circular dichroism of light-harvesting complex II in oriented lipid bilayers: Theory meets experiment, J. Phys. Chem. B 123, 1090 (2019). DOI
  3. Akhtar, P. et al. Dependence of chlorophyll fluorescence quenching on the lipid-to-protein ratio in reconstituted light-harvesting complex II membranes containing lipid labels, Chem. Phys. 522, 242 (2019). DOI
  4. Andersson, J. et al., Parametrization of energy sharing distributions in direct double photoionization of He, Sci. Rep. 9, 17883 (2019). DOI
  5. Anh Ma, L. et al. Understanding charge compensation mechanisms in Na0.56Mg0.04Ni0.19Mn0.70O2, Commun. Chem. 2, 125 (2019). DOI
  6. Arias-Egid, E. et al. Toward the optimized spintronic response of Sn-doped IrO2 thin films, Adv. Funct. Mater. 29, 1806754 (2019). DOI
  7. Arndt, B. et al. Water and Atomic Hydrogen Adsorption on Magnetite (001), J. Phys. Chem. C 123, 26662 (2019). DOI
  8. Arrigo, R. and Schuster, M. E. On the high structural heterogeneity of Fe-impregnated graphitic-carbon catalysts from Fe nitrate precursor, Catalysts 9, 303 (2019). DOI
  9. Ascenzi, D. et al. State-Selected Reactivity of Carbon Dioxide Cations (CO+2) With Methane, Front. Chem. 7, 537 (2019). DOI
  10. Asvany, O. et al. Infrared Signatures of the HHen+ and DHen+ (n = 3?6) Complexes, J. Phys. Chem. Letters 10, 5235 (2019). DOI
  11. Aung, S. H. et al. Toward an alternative approach for the preparation of low-temperature titanium dioxide blocking underlayers for perovskite solar cells, J. Mater. Chem. A 7, 10729 (2019). DOI
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  13. Aviles-Moreno, J. R. et al. Insights into the Recognition of Phosphate Groups by Peptidic Arginine from Action Spectroscopy and Quantum Chemical Computations, J. Phys. Chem. B 123, 7528 (2019). DOI
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  18. Bignardi, L. et al. Growth and structure of singly oriented single-layer tungsten disulfide on Au(111), Phys. Rev. Materials 3, 014003 (2019). DOI
  19. Bizzotto, F. et al. Ir nanoparticles with ultrahigh dispersion as oxygen evolution reaction (OER) catalysts: synthesis and activity benchmarking, Catal. Sci. Technol. 9, 6345 (2019). DOI
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  21. Bluschke, M. et al. Adiabatic variation of the charge density wave phase diagram in the 123 cuprate (CaxLa1?x)(Ba1.75?xLa0.25+x)Cu3Oy, Phys. Rev. B 100, 035129 (2019). DOI
  22. Brangulis, K. et al. BBE31 from the Lyme disease agent Borrelia burgdorferi, known to play an important role in successful colonization of the mammalian host, shows the ability to bind glutathione, Biochim. Biophys. Acta 1864, 129499 (2019). DOI
  23. Brangulis, K. et al. Crystal structure of the N-terminal domain of the major virulence factor BB0323 from the Lyme disease agent Borrelia burgdorferi, Acta Cryst. D 75, 825 (2019). DOI
  24. Brangulis, K. et al. Crystal structure of Borrelia burgdorferi outer surface protein BBA69 in comparison to the paralogous protein CspA, Ticks and Tick-borne Dis. 10, 1135 (2019). DOI
  25. Brydon, S. C. et al. Reactions of Thiiranium and Sulfonium Ions with Alkenes in the Gas Phase, J. Org. Chem. 84, 10076 (2019). DOI
  26. Cassidy, A. et al. The optical absorption spectra of spontaneously electrical solids: the case of nitrous oxide, Phys. Chem. Chem. Phys. 21, 1190 (2019). DOI
  27. Chaikuad, A. et al. Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2), Biochem. J. 467, 875 (2019). DOI
  28. Cheng, R. et al. Hydrogen bonding in alkali metal cation-bound i-motif-like dimers of 1-methyl cytosine: an IRMPD spectroscopic and computational study, Phys. Chem. Chem. Phys. 21, 11103 (2019). DOI
  29. Chicharro, D. V. et al. Threshold photoelectron spectrum of the CH2OO Criegee intermediate, Phys. Chem. Chem. Phys. 21, 12763 (2019). DOI
  30. Chwiej, J. et al. Biochemical changes indicate developmental stage in the hippocampal formation, ACS Chem. Neurosci. 10, 628 (2019). DOI
  31. Clark, P. C. J. et al. Origin of the two-dimensional electron gas at the CdO (100) surface, Phys. Rev. B 99, 085433 (2019). DOI
  32. Corinti, D. et al. IR ion spectroscopy in a combined approach with MS/MS and IM-MS to discriminate epimeric anthocyanin glycosides (cyanidin 3-O-glucoside and -galactoside), Int. J. Mass Spectrom. 444, 116179 (2019). DOI
  33. Corinti, D. et al. Vibrational signatures of curcumin’s chelation in copper(II) complexes: An appraisal by IRMPD spectroscopy, J. Chem. Phys. 150, 165101 (2019). DOI
  34. Corinti, D. et al. Short-lived intermediates (encounter complexes) in cisplatin ligand exchange elucidated by infrared ion spectroscopy, Int. J. Mass Spectrom. 435, 7 (2019). DOI
  35. Cruz, A. J. et al. Integrated Cleanroom Process for the Vapor-Phase Deposition of Large-Area Zeolitic Imidazolate Framework Thin Films, Chem. Mater. 31, 9462 (2019). DOI
  36. Dallari, F. et al. X-rays induced atomic dynamics in a lithium-borate glass. Condensed Matter Physics 22, 43606 (2019). DOI
  37. De Meyer, S. et al. Macroscopic x-ray powder diffraction imaging reveals Vermeer’s discriminating use of lead white pigments in Girl with a Pearl Earring, Sci. Adv. 5, eaax1975 (2019). DOI
  38. De Samber, B. et al. Three-dimensional X-ray fluorescence imaging modes for biological specimens using a full-field energy dispersive CCD camera, J. Anal. At. Spectrom. 34, 2083 (2019). DOI
  39. Dery, S. et al. Strong Metal-Adsorbate Interactions Increase the Reactivity and Decrease the Orientational Order of OH-Functionalized N-Heterocyclic Carbene Monolayers, Chem. Eur. J. 25, 15067 (2019). DOI
  40. Dragomir, M. et al. Comparing Magnetism in Isostructural Oxides A0.8La1.2MnO4.1 : Anisotropic Spin Glass (A = Ba) versus Long-Range Order (A = Sr), Chem. Mater. 31, 7833 (2019). DOI
  41. Ehlen, N. et al. Narrow photoluminescence and Raman peaks of epitaxial MoS2 on graphene/Ir(111), 2D Mater. 6, 011006 (2019). DOI
  42. El Albani, A. et al. Organism motility in an oxygenated shallow-marine environment 2.1 billion years ago, PNAS 116, 3431 (2019). DOI
  43. Eland, J. H. D. and Feifel, R. Triple ionization of HCl via states with a 2p core hole, J. Chem. Phys. 151, 114301 (2019). DOI
  44. Elhameed, A. et al. Purification of proteins with native terminal sequences using a Ni(II)-cleavable C-terminal hexahistidine affinity tag. Protein Expr. Purif. 159, 53 (2019). DOI
  45. Eremin, D. B. et al. Ionic Pd/NHC Catalytic System Enables Recoverable Homogeneous Catalysis: Mechanistic Study and Application in the Mizoroki–Heck Reaction, Chem. Eur. J. 25, 16564 (2019). DOI
  46. Eroglu, S. et al. The Conservation of VIT1-Dependent Iron Distribution in Seeds, Front. Plant Sci. 10, 907 (2019). DOI
  47. Etinger-Geller, Y. et al. Surface reconstruction causes structural variations in nanometric amorphous Al2O3, Phys. Chem. Chem. Phys. 21, 14887 (2019). DOI
  48. Faltinek, L. et al. Lectin PLL3, a Novel Monomeric Member of the Seven-Bladed beta-Propeller Lectin Family. Molecules 24, 4540 (2019). DOI
  49. Fedorov, A. et al. Narrow photoluminescence and Raman peaks of epitaxial MoS2 on graphene/Ir(111), 2D Mater. 6, 011006 (2019). DOI
  50. Fernandes, F. M. B. et al. In Situ Structural Characterization of Functionally Graded Ni-Ti Shape Memory Alloy During Tensile Loading, Shap. Mem. Superelasticity 5, 457 (2019). DOI
  51. Friis, E. M. et al. Extinct diversity among early cretaceous angiosperms: mesofossil evidence of early magnoliales from Portugal, Int. J. Plant Sci. 180, 93 (2019). DOI
  52. Friis, E. M. et al. Hedyosmum-like fossils in the early cretaceous diversification of angiosperms, Int. J. Plant Sci. 180, 232 (2019). DOI
  53. Fröhlich, C. et al. OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs, mSphere 4, e00024-19 (2019). DOI
  54. Garcia, A. D. et al. The Astrophysical Formation of Asymmetric Molecules and the Emergence of a Chiral Bias, Life 9, 29 (2019). DOI
  55. Gatta, G. D. et al. Allanite at high pressure: effect of REE on the elastic behaviour of epidote-group minerals, Phys. Chem. Miner. 46, 783 (2019). DOI
  56. Gatta, G. D. et al. Correction to: Allanite at high pressure: effect of REE on the elastic behaviour of epidote-group minerals, Phys. Chem. Miner. 46, 1017 (2019). DOI
  57. Gil-San-Millan, R. et al. Magnesium exchanged zirconium metal-organic frameworks with improved detoxification properties of nerve agents, J. Am. Chem. Soc. 141, 11801 (2019). DOI
  58. Giliberti, V. et al. Tip-enhanced Infrared Difference-Nanospectroscopy of the Proton Pump Activity of Bacteriorhodopsin in Single Purple Membrane Patche, Nano Lett. 19, 3104 (2019). DOI
  59. Goncalves, H. et al. Self-assembled para-Nitroaniline polymeric thin films as highly efficient generators of second harmonic light, Opt. Mater. 88, 15 (2019). DOI
  60. Götsch, T. et al. Crystallographic and Electronic Evolution of Lanthanum Strontium Ferrite (La0.6Sr0.4FeO3??) Thin Film and Bulk Model Systems during Iron Exsolution, Phys. Chem. Chem. Phys. 21, 3781 (2019). DOI
  61. Grave, K. et al. Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access, J. Biol. Inorg. Chem. 24, 849 (2019). DOI
  62. Griese, J. J. et al. Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase, J. Biol. Inorg. Chem. 24, 211 (2019). DOI
  63. Grinderslev, J. B. et al. Potassium octahydridotriborate: diverse polymorphism in a potential hydrogen storage material and potassium ion conductor, Dalton Trans. 48, 8872 (2019). DOI
  64. Grinderslev, J. B. et al. Trends in synthesis, crystal structure, and thermal and magnetic properties of rare-earth metal borohydrides, Inorg. Chem. 58, 5503 (2019). DOI
  65. Haubold, E. et al. Possible experimental realization of a basic Z2 topological semimetal in GaGeTe, APL Materials 7, 121106 (2019). DOI
  66. Hauko, R. et al. Effects of the molecular potential on coexcitations of valence electrons in the K-shell photoeffect of 3p and 4p elements, Phys. Rev. A 99, 062501 (2019). DOI
  67. Honolka, J. et al. Electronic properties of GaAsBi(001) alloys at low Bi content, Phys. Rev. Materials 3, 044601 (2019). DOI
  68. Hua, W. et al. Shape-controlled synthesis of hierarchically layered lithium transition-metal oxide cathode materials by shear exfoliation in continuous stirred-tank reactors, J. Electrochem. Soc. 166, A5025 (2019). DOI
  69. Huang, J. et al. Apparatus architecture of the conodont Nicoraella kockeli (Gondolelloidea, Prioniodinina) constrains functional interpretations, Palaeontology 62, 823 (2019). DOI
  70. Hult, R. et al. Relative extent of triple Auger decay in CO and CO2, Phys. Chem. Chem. Phys. 21, 9889 (2019). DOI
  71. James, R. L. et al. VUV spectroscopy of an electron irradiated benzene:carbon dioxide interstellar ice analogue, RCS Adv. 9, 5453 (2019). DOI
  72. Jansson, M. et al. Intercalation of cationic peptides within Laponite layered clay minerals in aqueous suspensions: The effect of stoichiometry and charge distance matching, J. Colloid Interface Sci. 557, 767 (2019). DOI
  73. Jonane, I. et al. Pressure-induced structural changes in ?-MoO3 probed by X-ray absorption spectroscopy, IOP Conf. Ser.: Mater. Sci. Eng. 503, 012018 (2019). DOI
  74. Jones, D. B. et al. Electronic Structure and VUV Photoabsorption Measurements of Thiophene, J. Chem. Phys. 150, 064303 (2019). DOI
  75. Juge, R. et al. Current-Driven Skyrmion Dynamics and Drive-Dependent Skyrmion Hall Effect in an Ultrathin Film, Phys. Rev. Applied 2, 044007 (2019). DOI
  76. Kahlenberg, V. et al. Structural studies on Ca3Al4MgO10 (C3A2M)—A ternary phase in the system CaO–Al2O3–MgO, J. Am. Ceram. Soc. 102, 2084-2093 (2019). DOI
  77. Kahlenberg, V. et al. Structural investigations on bredigite from the Hatrurim Complex, Mineralogy and Petrology 113, 261 (2019). DOI
  78. Kahlenberg, V. et al. Structural elucidation of triclinic and monoclinic SFCA-III–killing two birds with one stone, Acta Cryst. B 75, 1126 (2019). DOI
  79. Kalaitzidou, K. et al. Adsorption of Se(IV) and Se(VI) species by iron oxy-hydroxides: Effect of positive surface charge density, Sci. Total. Environ. 687, 1197 (2019). DOI
  80. Kallithrakas-Kontos, N. et al. Solid-state polymer membranes for simple, sensitive, and low-cost monitoring of mercury in water, Sci. Total Environ. 697, 134099 (2019). DOI
  81. Kallquist, I. et al. Degradation mechanisms in Li2VO2F Li-rich disordered rock-salt cathodes, Chem. Mater. 31, 6084 (2019). DOI
  82. Kapishnikov, S. et al. Mode of action of quinoline antimalarial drugs in red blood cells infected by Plasmodium falciparum revealed in-vivo, PNAS 116, 22946 (2019). DOI
  83. Kavcic, A. et al. Localization, ligand environment, bioavailability and toxicity of mercury in Boletus spp. and Scutiger pes-caprae mushrooms, Ecotex. Environ. Safe 186, 109683 (2019). DOI
  84. Kennedy, E. T. et al. Vibrational effects in the photo-ion yield spectrum of the SiH2 + molecular ion following 2p inner-shell excitation, J. Phys.: Conf. Ser. 1289, 012003 (2019). DOI
  85. Kerber, M. et al. In-Situ Synchrotron Profile Analysis after High-Pressure Torsion Deformation, Crystals 9, 232 (2019). DOI
  86. Klein, Y. et al. X-ray computational ghost imaging with single-pixel detector, Opt. Express 27, 3284 (2019). DOI
  87. Kowalska, D. et al. Modal disorder in rubidium tungstoniobate RbNbWO6 confirmed by EXAFS, J. Solid State Chem. 276, 146 (2019). DOI
  88. Krutyholowa, R. et al. Kti12, a PSTK-like tRNA dependent ATPase essential for tRNA modification by Elongator, Nucleic Acids Res. 47, 4814 (2019). DOI
  89. Kuusik, I. et al. The electronic structure of ionic liquids based on the TFSI anion: A gas phase UPSand DFT study, J. Mol. Liq. 294, 111580 (2019). DOI
  90. Langrand, C. et al. Kinetics and detectability of the bridgmanite to post-perovskite transformation in the Earth’s D“ layer, Nature Commun. 10, 5680 (2019). DOI
  91. Lee, J. H. et al. Imaging and Harnessing Percolation at the Metal-Insulator Transition of NdNiO3 Nanogaps, Nano Lett. 19, 7801 (2019). DOI
  92. Li Destri, G. et al. In situ structure and force characterization of 2D nano-colloids at the air/water interface, Soft Matter 15, 8475 (2019). DOI
  93. Li, W. et al. Hole Migration In Telomere-Based Oligonucleotide Anions And G-Quadruplexes, Chem. Eur. J. 25, 16114 (2019).  DOI
  94. Liberka, M. et al. Heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13–xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal-cyanide magnetic clusters, Inorg. Chem. Front. 6, 3104 (2019).  DOI
  95. Lin, T. Y. et al. The Elongator subunit Elp3 is a non-canonical tRNA acetyltransferase, Nature Comm. 10, 625 (2019). DOI
  96. Linford, B. D. et al. Strong intramolecular hydrogen bonding in protonated beta-methylaminoalanine: A vibrational spectroscopic and computational study, Eur. J. Mass Spectrom. 25, 133 (2019). DOI
  97. Link, S. et al. Introducing strong correlation effects into graphene by gadolinium intercalation, Phys. Rev. B 100, 121407 (2019). DOI
  98. Lott, P. et al. Regeneration of Sulfur Poisoned Pd–Pt/CeO2–ZrO2–Y2O3–La2O3 and Pd–Pt/Al2O3 Methane Oxidation Catalysts, Top. Catal. 62, 164 (2019). DOI
  99. Loudon, J. C. et al. Do Images of Biskyrmions Show Type-II Bubbles?, Adv. Mater. 31, 1806598 (2019). DOI
  100. Lv, Z.-P. et al. Tunable assembly of truncated nanocubes by evaporation-driven poor-solvent enrichment, Nature Commun. 10, 4228 (2019). DOI
  101. Mali, G. et al. Unraveling the Arrangement of Al and Fe within the Framework Explains the Magnetism of Mixed-Metal MIL-100(Al,Fe), J. Phys. Chem. Lett. 10, 1464 (2019). DOI
  102. Manso, J. A. et al. Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity, MBIO 10, e00239-19 (2019). DOI
  103. Mazurkewich, S. et al. Structural and biochemical studies of the glucuronoyl esterase OtCE15A illuminate its interaction with lignocellulosic components. J. Biol. Chem. 294, 19978 (2019). DOI
  104. McGale, J. et al. Spectroscopic X-ray and Mössbauer Characterization of M6 and M5 Iron(Molybdenum)-Carbonyl Carbide Clusters: High Carbide-Iron Covalency Enhances Local Iron Site Electron Density Despite Cluster Oxidation, Inorg. Chem. 58, 12918 (2019). DOI
  105. Mihrin, D. et al. High-Resolution Infrared Synchrotron Investigation of (HCN)2 and a Semi-Experimental Determination of the Dissociation Energy D0, ChemPhysChem 20, 3238 (2019). DOI
  106. Mijiti, Y. et al. Development of a high temperature diamond anvil cell for X-ray absorption experiments under extreme conditions, Radiat. Phys. Chem. 28, 108106 (2019). DOI
  107. Mijovilovich, A. et al. MicroX-ray absorption near edge structure tomography reveals cell-specific changes of Zn ligands in leaves of turnip yellow mosaic virus infected plants, Spectrochim. Acta 157, 53 (2019). DOI
  108. Mucha, O. et al. Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment, Arch. Biochem. Biophys 671, 130 (2019). DOI
  109. Mukherjee, S. et al. Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats, Nucleic Acids Res. 47, 10906 (2019). DOI
  110. Muziol, T. M. et al. Solvent-assisted structural conversion involving bimetallic complexes based on the tris(oxalato)ferrate(iii) unit with the green ? blue ? red crystal color sequence, Dalton Trans. 48, 11536 (2019). DOI
  111. Naylor, A. et al. Interfacial reaction mechanisms on graphite anodes for K-ion batteries, ACS Appl. Mater. Interfaces 11, 45636 (2019). DOI
  112. Neder, M. et al. Mineral formation in the primary polyps of pocilloporoid corals, Acta Biomater. 96, 631 (2019). DOI
  113. Nguyen, L. H. B. et al. Monitoring the Crystal Structure and the Electrochemical Properties of Na3(VO)2(PO4)2F through Fe3+ Substitution, ACS Appl. Mater. Interfaces 11, 38808 (2019). DOI
  114. Nistea, I.-T. et al. The Optical Metrology Laboratory at Diamond: pushing the limits of nano-metrology, Proc. SPIE, Advances in Metrology for X-Ray and EUV Optics VIII, 1110906 (2019). DOI
  115. O’Shea, J. et al. The dermal skeleton of the jawless vertebrate Tremataspis mammillata (Osteostraci, stem-Gnathostomata), J. Morphol. 280, 999 (2019). DOI
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  117. Pachler, M. et al. Magainin 2 and PGLa in Bacterial Membrane Mimics I: Peptide-Peptide and Lipid-Peptide Interactions, Biophys. J. 117, 1858 (2019). DOI
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  153. Tereba, N. et al. Influence of the substituted ethylenediamine ligand on the structure and properties of [Cu(diamine)2Zn(NCS)4] · Solv. Compounds, Crystals 9, 637 (2019). DOI
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  157. Vanek, A. et al. Thallium stable isotope fractionation in white mustard: Implications for metal transfers and incorporation in plants, J. Hazard. Mater. 369, 521 (2019). DOI
  158. Varsano, N. et al. The Effect of the Phospholipid Bilayer Environment on Cholesterol Crystal Polymorphism, ChemPlusChem 84, 1 (2019). DOI
  159. Verschueren, K. H. G. et al. Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle, Nature 568, 571 (2019). DOI
  160. Vidal, R. C. et al. Surface states and Rashba-type spin polarization in antiferromagnetic MnBi2Te4(0001), Phys. Rev. B 100, 121104 (2019). DOI
  161. Wick, S. et al. Thallium Sorption onto Manganese Oxides, Environ. Sci. Technol. 53, 13168 (2019). DOI
  162. Wien, F. et al. The Bacterial Amyloid-Like Hfq Promotes In Vitro DNA Alignment, Microorganisms 7, 639 (2019). DOI
  163. Williamson, A. and Leiros, H.-K. S. Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation, Nucleic Acids Res. 47, 7147 (2019). DOI
  164. Wittig, N. K. et al. Bone Biomineral Properties Vary across Human Osteonal Bone. ACS nano 13, 12949 (2019). DOI
  165. Wójcik, A. et al. The effect of chlorination degree and substitution pattern on the interactions of polychlorinated biphenyls with model bacterial membranes, Biochim. Biophys. Acta 1861, 1057 (2019). DOI
  166. Wu, L. et al. Tuning photoionization mechanisms of molecular hybrid materials for EUV lithography applications, J. Mater. Chem. C 7, 33 (2019). DOI
  167. Zahradník, J. et al. Flexible regions govern promiscuous binding of IL-24 to receptors IL-20R1 and IL-22R1, FEBS J. 286, 3858 (2019). DOI
  168. Zak, K. M. et al. Crystal Structure of Kluyveromyces lactis Glucokinase (KlGlk1), Int. J. Mol. Sci. 20, 4821 (2019). DOI
  169. Zarotti, F. et al. Emerging proton conductivity at the interface between insulating NdGaO3 and BaZrO3, Phys. Rev. Materials 3, 103606 (2019). DOI
  170. Zhang, X. et al. Probing and Controlling Surface Passivation of PbS Quantum Dot Solid for Improved Performance of Infrared Absorbing Solar Cells, Chem. Mater. 31, 4081 (2019). DOI
  171. Zhong, L. et al. Correlation Between Reactivity and Oxidation State of Cobalt Oxide Catalysts for CO Preferential Oxidation, ACS Catal. 9, 8325 (2019). DOI
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Publications 2018
  1. Ahkter, S. et al. A focused fragment library targeting the antibiotic resistance enzyme – Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur. J. Med. Chem. 145, 634 (2018). DOI
  2. Albisetti, E. et al. Nanoscale spin-wave circuits based on engineered reconfigurable spin-textures, Comm. Phys. 56, 1 (2018). DOI
  3. Arnold, F. et al. Novel single-layer vanadium sulphide phases. 2D Mater. 5, 045009 (2018). DOI
  4. Brangulis, K. et al. Crystal structure of the membrane attack complex assembly inhibitor BGA71 from the Lyme disease agent Borrelia bavariensis. Sci. Rep. 8, 11286 (2018). DOI
  5. Carter, M. et al. Human NUDT22 Is a UDP-Glucose/Galactose Hydrolase Exhibiting a Unique Structural Fold. Structure 26, 295 (2018). DOI
  6. Corinti, D. et al. Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy. Phys. Chem. Chem. Phys. 20, 4429 (2018). DOI
  7. Dery, S. et al. Identifying site-dependent reactivity in oxidation reactions on single Pt particles. Chem Sci 31, 6523 (2018). DOI
  8. Dostál, J. et al. Crystal structure of carbonic anhydrase CaNce103p from the pathogenic yeast Candida albicans. BMC Structural Biology 18, 14 (2018). DOI
  9. Falsetti, E. et al. Infrared Spectroscopy of the Topological Surface States of Bi2Se3 by Use of the Berreman Effect. Phys. Rev. Lett. 121, 176803 (2018). DOI
  10. Falsetti, E. et al. High conductivity of ultrathin nanoribbons of SrRuO3 on SrTiO3 probed by infrared spectroscopy. Scientific Reports 8, 15217 (2018). DOI
  11. Gas, K. et al. Impact of substrate temperature on magnetic properties of plasma-assisted molecular beam epitaxy grown (Ga,Mn)N. J. Alloys Compd. 47, 946 (2018). DOI
  12. Geenen, F. A. et al. The influence of alloying on the phase formation sequence of ultra-thin nickel silicide films and on the inheritance of texture. J. Appl. Phys. 123, 185302 (2018). DOI
  13. Generalov, A. et al. Strong spin-orbit coupling in the noncentrosymmetric Kondo lattice. Phys. Rev. B 98, 115157 (2018). DOI
  14. Giménez-Marqués, M. et al., GraftFast Surface Engineering to Improve MOF Nanoparticles Furtiveness. Small 14, 1801900 (2018). DOI
  15. Grudnik, P. et al. Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide. J. Biol. Chem. 293, 11088 (2018). DOI
  16. Gustafsson, R. et al. Crystal Structure of Botulinum Neurotoxin A2 in Complex with the Human Protein Receptor SV2C Reveals Plasticity in Receptor Binding. Toxins 10, 153 (2018). DOI
  17. Haitjema, J. et al. Photo-induced Fragmentation of a Tin-oxo Cage Compound. J. Photopolym. Sci. Tec. 31, 243 (2018). DOI
  18. Hánová, I. et al. Novel structural mechanism of allosteric regulation of aspartic peptidases via evolutionary conserved exosite. Cell Chem. Biol. 25, 318 (2018). DOI
  19. Hiller, D. et al. Structural Properties of Al–O Monolayers in SiO2 on Silicon and the Maximization of Their Negative Fixed Charge Density, ACS Appl. Mater. Interfaces, 10, 30495 (2018). DOI
  20. Hult Roos, A. et al. Abundance of molecular triple ionization by double Auger decay. Sci. Rep. 8, 16405 (2018). DOI
  21. Hussain, S. et al. Plasma synthesis of polyaniline enrobed carbon nanotubes for electrochemical applications. Electrochimica Acta 268, 218 (2918). DOI
  22. Huttula, M. et al. STXM Chemical Mapping of Norway Spruce Knotwood Lignans. Microsc. Microanal. 24, 482 (2018). DOI
  23. Ieritano, C. et al. The structures and properties of anionic tryptophan complexes. Phys. Chem. Chem. Phys. 20, 26532 (2018). DOI
  24. Jemth, A. et al. MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP. Nucleic Acids Res 46, 10888 (2018). DOI
  25. Jusko, P. et al. Direct Evidence of the Benzylium and Tropylium Cations as the Two Long-Lived Isomers of C7H7+. ChemPhysChem 19, 3182 (2018). DOI
  26. Jusko, P. et al. Identification of the fragment of the 1-methylpyrene cation by mid-IR spectroscopy. Chem. Phys. Lett. 698, 206 (2018). DOI
  27. Kazokaite, J. et al. Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Oncotarget 9, 26800 (2018). DOI
  28. Kennedy, E. T. et al. Evolution of L-shell photoabsorption of the molecular-ion series SiHn+ (n = 1,2,3): Experimental and theoretical studies. Phys. Rev. A 97, 043410 (2018). DOI
  29. Komárek, J. et al. Structure and properties of AB21, a novel Agaricus bisporus protein with structural relation to bacterial pore-forming toxins. Proteins 86, 897 (2018). DOI
  30. Köpfle, M. et al. Zirconium-assistierte Aktivierung von Palladium zur Steigerung der Produktion von Synthesegas in der Trockenreformierung von Methane. Angew. Chem. 130, 14823 (2018). DOI
  31. Köpfle, N. et al. Zirconium-Assisted Activation of Palladium To Boost Syngas Production by Methane Dry Reforming, Angew. Chem. Int. Ed. 57, 14613 (2018). DOI
  32. Krüger, B. et al. Aravaite, Ba2Ca18 (SiO4) 6 (PO4) 3 (CO3) F3O: modular structure and disorder of a new mineral with single and triple antiperovskite layers. Acta Cryst. B 74, 492 (2018). DOI
  33. Lach, M. et al. Proteins as sustainable building blocks for the next generation of bioinorganic nanomaterials. Biochemistry 58, 140 (2018). DOI
  34. Le Nagard, L. et al. How do Magnetotactic Bacteria Synthesize Magnetite? – a Soft X-ray Spectroscopy, Spectromicroscopy and Magnetism Time Course Study. Microscopy and Microanalysis 23 (2018). DOI
  35. Leritano, C. et al. The structures and properties of anionic tryptophan complexes. (2018). DOI
  36. Lund, B. A. et al. The biological assembly of OXA-48 reveals a dimer interface high charge complementarity and very high affinity, FEBS J. 285, 4214 (2018). DOI
  37. Marcano, L. et al., Magnetic Study of Co-Doped Magnetosome Chains. J. Phys. Chem. C 122, 7541 (2018). DOI
  38. Massa, N. E. et al. Identification of spin wave resonances and crystal eld fi fi levels in simple chromites RCrO3 (R = Pr, Sm, Er) at low temperatures in the THz spectral region. J. Magn. Magn. Mater. 468, 294 (2018). DOI
  39. Mattera, M. et al. Spontaneous growth of 2D coordination polymers on functionalized ferromagnetic surfaces. Chem. Sci. 9, 8819 (2018). DOI
  40. Micsonai, A. et al. Protein Fold Recognition by Circular Dichroism Spectroscopy. Biophys. J. 114, 174a (2018). DOI
  41. Micsonai, A. et al. Improved Structural Estimation of Disordered Proteins by CD Spectroscopy: Method Development and Application. Biophys. J. 114, 587a (2018). DOI
  42. Micsonai, A. et al. BeStSel: a web server for accurate protein secondary structure prediction and fold recognition from the circular dichroism spectra. Nucleic Acids Res. 46, W315 (2018). DOI
  43. Mihrin, D. et al. High-resolution synchrotron terahertz investigation of the large-amplitude hydrogen bond librational band of HCN2. Phys. Chem. Chem. Phys., 20, 8241 (2018). DOI
  44. Mogensen, R. et al. Capacity fading mechanism of tin phosphide anodes in sodium-ion batteries, Dalton Trans. 47, 10752 (2018). DOI
  45. Nakajima, R. et al. 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med. Chem. Lett. 9, 1099 (2018). DOI
  46. Narwal, M. et al. Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry 57, 593 (2018). DOI
  47. Németh, E. et al. Chemical Approach to Biological Safety: Mole cular-Level Control of an Integrated Zinc Finger Nuclease. ChemBioChem 19, 66 (2018). DOI
  48. Nikonov, K. et al. Synthesis and spectroscopic characterization of alkali-metal intercalated ZrSe2, Dalton Trans. 47, 2986 (2018). DOI
  49. Ozer, L. Y. et al. Long-lasting non-hydrogenated dark titanium dioxide: medium vacuum anneal for enhanced visible activity of modified multiphase photocatalysts. Chem. Cat. Chem. 10, 2949 (2018). DOI
  50. Pachl, P. et al. Crystal structure of native alpha-L-rhamnosidase from Aspergillus terreus. Acta Cryst. D 74, 1078 (2018). DOI
  51. Page, B. D. G. et al. Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nature Comm. 9, 1 (2018). DOI
  52. Pasciak, M. et al. X-ray diffuse scattering observations for SrxBa1?xNb2O6 single crystals with x=0.35 and 0.81. Ph. Transit. 91, 969 (2018). DOI
  53. Petti, D. et al. Spin textures patterned via thermally assisted magnetic scanning probe lithography for magnonics. Proceedings Volume 10732, Spintronics XI; 107321Q (2018). DOI
  54. Prehal, C. et al. Salt concentration and charging velocity determine ion charge storage mechanism in nanoporous supercapacitors. Nature Comm. 9, 4145 (2018). DOI
  55. Psenakova, K. et al. 14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2). BBB-Gen Subjects 1862, 1612 (2018). DOI
  56. Ramakrishnan, M. et al. Field-induced double spin spiral in a frustrated chiral magnet, arXiv.org (2018). Link
  57. Ross, B. et al. Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer. PNAS 115,  E1437 (2018). DOI
  58. Senkovskiy, B. V. et al. Boron-doped graphene nanoribbons: Electronic structure and Raman fingerprint. ACS Nano 12, 7571 (2018). DOI
  59. Smidova, A. et al. 14-3-3 protein masks the nuclear localization sequence of caspase-2, FEBS J. 285, 4196 (2018). DOI
  60. Spieler, S. et al. Low frequency vibrational anharmonicity and nuclear spin effects of Cl(H2) and Cl(D2). J. Chem. Phys. 149, 174310 (2018). DOI
  61. Środek, D. et al., New Occurrence of Rusinovite, Ca10 (Si2O7) 3Cl2: Composition, Structure and Raman Data of Rusinovite from Shadil-Khokh Volcano, South Ossetia and Bellerberg, Germany. Minerals 8, 399 (2018). DOI
  62. Svanström, S. et al. Effect of halide ratio and Cs+ addition on the photochemical stability of lead halide perovskites. J. Mater. Chem. A 6, 22134 (2018). DOI
  63. Tallian, C. et al. Structural insights into pH-responsive drug release of self-assembling human serum albumin-silk fibroin nanocapsules. Eur. J. Pharm. Biopharm. 133, 176 (2018). DOI
  64. Tang, Y. et al. Inorganic Ions Assisted Anisotropic Growth of CsPbCl3 Nanowires with Surface Passivation Effect. ACS Appl. Mater. Interfaces 10, 29574 (2018). DOI
  65. Tayari, V. et al. Quasi-two-dimensional thermoelectricity in SnSe. Phys. Rev. B 97, 045424 (2018). DOI
  66. Teixeira, P. T. et al. Mechanism of Peptide Binding and Cleavage by the Human Mitochondrial Peptidase Neurolysini. J. Mol. Biol. 430, 348 (2018). DOI
  67. Teržan, J. et al. Alkali and earth alkali modified CuOx/SiO2 catalysts for propylene partial oxidation: What determines the selectivity?. Appl. Catal. B Environ. 237, 214 (2018). DOI
  68. Tokarz, P. et al. Crystal structure of ADP-dependent glucokinase from Methanocaldococcus jannaschii in complex with 5-iodotubercidin reveals phosphoryl transfer mechanism. Protein Sci. 27, 790 (2018). DOI
  69. Twarda-Clapa, C. et al. Crystal structure of the FAS1 domain of the hyaluronic acid receptor stabilin-2, Acta Cryst. D 74, 695 (2018). DOI
  70. Varsano, N. et al. Two polymorphic cholesterol monohydrate crystal structures form in macrophage culture models of atherosclerosis. PNAS 115, 7662 (2018). DOI
  71. Vasiliauskaité-Brooks, I. et al. Structure of a human intramembrane ceramidase explains enzymatic dysfunction found in leukodystrophy. Nature Comm. 9, 5437 (2018). DOI
  72. Vinogradoff, V. et al. Evolution of interstellar organic compounds under asteroidal hydrothermal conditions. Icarus 305, 358-370 (2018). DOI
  73. Williamson A. et al. DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases. Nucleic Acids Res. 46, 8616 (2018). DOI
  74. Wójcik, A. et al. Effects of water soluble perfluorinated pollutants on phospholipids in model soil decomposer membranes. Biochim. Biophys. Acta 1860, 2576 (2018). DOI
  75. Yeung, H. H.-M. et al. Control of metal-organic framework crystallization by metastable intermediate pre-equilibrium species. Angew. Chem. Int. Ed. 58 , 566 (2018). DOI
Publications 2017
  1. Bogusz, J. et al. Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors. Scientific Reports 7, 13399 (2017). DOI
  2. Hart, L. S. et al. Electronic bandstructure and van der Waals coupling of ReSe2 revealed by high-resolution angle-resolved photoemission spectroscopy. Scientific Reports 7, 5145 (2017). DOI
  3. Hidalgo, T. et al. Chitosan-coated mesoporous MIL-100(Fe) nanoparticles as improved bio-compatible oral nanocarriers. Scientific Reports 7, 43099 (2017). DOI
  4. Hua, W. et al. Shape-controlled synthesis of hierarchically layered lithium transition-metal oxide cathode materials by shear exfoliation in continuous stirred-tank reactors. Journal of Materials Chemistry A 5, 25391–25400 (2017). DOI
  5. Jovanovič, P. et al. Electrochemical Dissolution of Iridium and Iridium Oxide Particles in Acidic Media: Transmission Electron Microscopy, Electrochemical Flow Cell Coupled to Inductively Coupled Plasma Mass Spectrometry, and X-ray Absorption Spectroscopy Study. Journal of the American Chemical Society 139, 12837 (2017). DOI
  6. Li, X.-B. et al. Self-assembled Framework Enhances Electronic Communication of Ultra-small Sized Nanoparticles for Exceptional Solar Hydrogen Evolution. Journal of the American Chemical Society 139, 4789-4796 (2017). DOI
  7. Micsonai, A. et al. Secondary structure prediction of disordered proteins by CD spectroscopy. European Biophysics Journal 46, 43–402 (2017). DOI
  8. Rudling, A. et al. Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. Journal of Medicinal Chemistry 60, 8160-8169 (2017). DOI
  9. Tanner, B. K. et al. Nondestructive X-ray diffraction measurement of warpage in silicon dies embedded in integrated circuit packages. Journal of Applied Crystallography 50, 547-554 (2017). DOI
  10. Webb, J. L. et al. Electronic band structure of ReS2 by high-resolution angle-resolved photoemission spectroscopy. Physical Review B. 96, 115205 (2017). DOI

CALIPSOplus JRA & NA publications

Publications resulting from CALIPSOplus Joint and Networking Activities:

Joint Research Activity Publications

C. Svetina et al., Towards X-ray transient grating spectroscopy, Opt. Lett. 44 (2019, 574. DOI – Project publication WP23 – JRA1 „Metrology On One-Nanometer-Precise Optics (MooNpics)

C. J. Atherton et al., Federated Identity Management for Research Collaborations (2018). DOI – Project publication WP24 – JRA2 „Demonstrator of a Photon Science Analysis Service (DaaS)“

Networking Activity Publications

C. Blasetti et al., Wayforlight: The Catalogue of European Light Sources, Synchrotron Radiat. News 32 (2019), 35. DOI – Project publication WP2 – NA1 „User tool access and data management“