Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

Imaging of Ghrelin receptors in vivo provides unique potential to gain deeper understanding on Ghrelin and its receptors in health and disease, in particular, in cancer. Ghrelin, an octanoylated 28-mer peptide hormone activates the constitutively active growth hormone secretagogue receptor type 1a (GHS-R1a) with nanomolar activity. We developed novel compounds, derived from the potent inverse agonist K-(D-1-Nal)-FwLL-NH2 but structurally varied by lysine conjugation with 1,4,7-triazacyclononane,1-glutaric acid-4,7-acetic acid (NODAGA), palmitic acid and/or diethylene glycol (PEG2) to allow radiolabeling and improve pharmacokinetics, respectively. All compounds were tested for receptor binding, potency and efficacy in vitro, for biodistribution and -kinetics in rats and in preclinical prostate cancer models on mice. Radiolabeling with Cu-64 and Ga-68 was successfully achieved. The Cu-64- or Ga-68-NODAGA-NH-K-K-(D-1-NaI)-F-w-L-L-NH2 radiotracer were specifically accumulated by the GHS-R1a in xenotransplanted human prostate tumor models (PC-3, DU-145) in mice. The tumors were clearly delineated by PET. The radiotracer uptake was also partially blocked by K-(D-1-Nal)-FwLL-NH2 in stomach and thyroid. The presence of the GHS-R1a was also confirmed by immunohistology. In the arterial rat blood plasma, only the original compounds were found. The Cu-64- or Ga-68-NODAGA-NH-K-K-(D-1-NaI)-F-w-L-L-NH2 radiolabeled inverse agonists turned out to be potent and safe. Due to their easy synthesis, high affinity, medium potency, metabolic stability, and the suitable pharmacokinetic profiles, they are excellent tools for imaging and quantitation of GHS-R1a expression in normal and cancer tissues by PET. These compounds can be used as novel biomarkers of the Ghrelin system in precision medicine.

Van der Waals heterostructures are currently the focus of intense investigation, this is essentially due to the unprecedented flexibility offered by the total relaxation of lattice matching requirements, and their new and exotic properties compared to the individual layers. Here, we investigate the hybrid transition metal dichalcogenide/2D perovskite heterostructure WS2 /(PEA)2 PbI4 . We present the first DFT calculations of a heterostructure ensemble, which reveal a novel band alignment, where direct electron transfer is blocked by the organic spacer of the 2D perovskite. In contrast, the valence band forms a cascade from WS2 through the PEA to the PbI4 layer allowing hole transfer. These predictions are supported by optical spectroscopy studies, which provide compelling evidence for both charge transfer, and non-radiative transfer of the excitation (energy transfer) between the layers. Our results show that TMD/2D perovskite heterostructures provide a flexible and convenient way to engineer the band alignment.

Janus particles are one type of artificial microswimmers consisting of two asymmetrically functionalized surfaces. With proper manipulation, one can control their displacement from one point to another at a certain rate, clustering, and orientation. In this work, we employed capped Janus particles. The caps consisted of several alternating thin layers of Co and Pd, and sealed with a 2.1-nm Pd layer, giving a total cap thickness of 17 nm. The Co/Pd combination provides both, magnetic and H2O2 – catalytic properties for the cap, respectively. These unique properties lead to particle propulsion upon applying an external stimulus. To employ both mechanisms, we investigated propulsion under different combinations of H2O2 concentrations and magnetic fields. Since the magnetic element in the cap plays a critical role in cap orientation and mutual interaction, thereby promoting particle clustering1, we studied one particle system as well as two- and three-particle systems. Furthermore, as the swimming behavior is highly affected by the boundary conditions of its surrounding environment2, varying surface properties were incorporated during the experiments.

Here, we report the observation of negative photoconductance (NPC) effect in highly arsenic-doped germanium nanowires (Ge NWs) for the infrared light. NPC was studied by light-assisted Kelvin probe force microscopy, which shows the depletion of carriers in n-Ge NWs in the presence of infrared light. The trapping of photocarriers leads to high recombination of carriers in the presence of light, which is dominant in the n-type devices. Furthermore, a carrier trapping model was used to investigate the trapping and detrapping phenomena and it was observed that the NPC in n-Ge occurred, because of the fast trapping of mobile charge carriers by interfacial states. The performance of n-type devices was compared with p-type NW detectors, which shows the conventional positive photoconductive behavior with high gain of 104. The observed results can be used to study the application of Ge NWs for various optoelectronic applications involving light tunable memory device applications.

Introduction: For decades the miniaturization of logic circuitry was a result of down scaling of the field effect transistor (FET). This scaling has reached its end and, therefore, new device materials and concepts have been under research for the last years. One approach is to increase the functionality of an individual device rather than scaling down its size. Such a device concept is the reconfigurable FET (RFET), which can be configured to n- or p-polarity dynamically [1].
RFETs are based on Schottky barrier FETs and feature an intrinsic Si nanowire (NW) channel. The Schottky junctions are formed by placing Nickel (Ni) contacts on both ends of the NW and conductive Ni-silicide segments are formed in the NW by an annealing process. In RFETs, two gates are usually placed on top of these Schottky junctions and by the application of electrostatic potential at the gates unipolar n- or p-transport is tuned in the channel. There are several Ni-silicide phases out of which NiSi2 is preferred as it yields sharp NiSi2-Si junctions. Moreover, its metal work function is near the mid bandgap of Si. This enables tuning the RFET to n- or p-transport by respectively bending the bands when applying electrostatic potential at the gates (Fig. 1).
Top-down fabrication of Schottky barrier FETs is a pre-requisite for the large-scale integration of RFETs. The challenges in this fabrication process include proper patterning of NWs, obtaining symmetric p- and n-currents and the scalability of the devices. The first two tasks have been solved as reported in [2]. However, the lack of controllable intrusion of silicide into the NWs remains an obstacle for device scalability [3-5]. Here we report that a silicidation process based on millisecond flash lamp annealing (FLA) significantly improves the uniformity of silicide intrusion at the two ends of the NWs. Such a gain in silicidation control will decisively allow creating RFETs with short channel lengths.
Fabrication: The devices are fabricated on silicon-on-insulator (SOI) substrates with 20 nm undoped top Si layer and 102 nm buried oxide. Electron beam lithography (EBL) and dry etching are used to fabricate NWs with 20 nm width as described in [3]. NWs are oxidized with a rapid thermal process and a ~6 nm thick SiO2 shell is formed to passivate NW surface. After wet etching SiO2 from desired areas, Ni contacts are placed in those areas using EBL and Ni evaporation. FLA is used for silicidation of the NWs and the results show equally long silicide intrusions (Fig. 2).
Results: The FLA process time is much shorter (0.5-20 ms) compared to conventional rapid thermal annealing (RTA) [6]. FLA based silicidation process is developed which, unlike previously reported RTA based processes, can deliver scalable RFETs. High resolution TEM (HRTEM) shows the formation of the desired NiSi2 phase and atomically abrupt Schottky junctions (Fig. 4). This is also confirmed by element mapping based on energy dispersive X-ray spectroscopy (EDXS) (Fig. 3). The transfer characteristics of the device with back-gate operation show an ambipolar behavior with an ON/OFF ratio of 9 orders of magnitude (Fig. 5). The gate voltage (VBG) was swept from -30 V to 30 V and the drain to source voltage (VD) was varied from 0.25 V to 0.75 V. The unipolar behavior can be tuned by fabricating two or more top gates. This will also reduce the additional hysteresis caused by using the buried oxide as a very thick gate dielectric.
Applications: The FLA-based silicidation process enables channel scaling. Devices based on this process show promising results and have potential applications as devices with reduced power consumption and low chip area [7]. These RFETs can also be used for the fabrication of power-efficient multi-independent gate-based logic circuits [8]. Moreover, the number of transistors and the chip area consumption can be reduced with the help of these transistors, preserving at the same time the functionality of the integrated circuits [9].
1.Heinzig, A. et al., Nano Lett., 2011.12(1):pp.119-124. 2.Simon, M. et al.,IEEE Trans Nanotechnol, 2017.16(5):pp.812-819.
3.Khan, B.M. et al., Appl. Sci. 2019. 9(17),3462. 4.Habicht, S. et al., Nanotechnology, 2010. 21(10): pp.105701.
5.Ogata, K. et al., Nanotechnology,2011.22(36):pp.365305. 6.Rebohle, L. et al., Semicond Sci Technol, 2016. 31(10): pp.103001.
7.Gaillardon, P.E. at al., in LATS, 2016, pp.195-200. 8.Rai, S. et al., IEEE Transactions VLSI, 2019.27(3):pp.560-572.
9.Raitza, M., et al., in DATE.2017,pp.338-343.

It is well known that defects have a remarkable influence on the properties of 2D materials, including optical, electrical, thermal, and mechanical properties. Irradiation with electron and ion beams allows precise control of defect generation by altering beam conditions and exposure dose. Although the response of bulk targets to ion irradiation has been extensively investigated, much less is known about the effects of ion bombardment on 2D materials.
We have studied the effects of ion irradiation on 2D materials by using analytical potential molecular dynamics combined with Monte Carlo simulations. In particular, we focused on the defect production mechanisms and characterized different types of defects in transition-metal dichalcogenides. The amount of damage in MoS2 by the impacts of noble gas clusters was explored for a wide range of energies and incident angles. It was found that the behavior of free-standing and supported 2D materials under the ion beam can be quite different, as the backscattered ions or atoms sputtered from the substrate can completely govern defect production. We showed that cluster irradiation can be used to produce uniform pores in 2D MoS2 with the diameter being dependent on cluster size and energy.6 Ion beam irradiations can also be used to displace sulfur atoms preferentially from either top or bottom layers of S atoms in MoS2 and also clean the surface from adsorbents. The possibility of changing defect concentrations or inducing local amorphization of a 2D material opens a path for tuning its physical properties via a combination of thermal treatment and a reactive vapor. These findings help to understand the fundamental physical mechanisms underlying ion irradiation of low-dimensional materials, which opens many opportunities for the beam-mediated engineering of the devices and nanomeshes for, e.g., DNA sequencing or molecule separation.

The fabrication of p-type silicon junctionless tri-gate transistors and their temperature dependent transport studies are reported in this work. The fabricated transistors have shown a good transfer characteristic down to a low temperature of ~ 80 K with an ON/OFF ratio of 106. The threshold voltage and the subthreshold slope were found to be dependent on temperature. In particular, the threshold voltage and the flat band voltage have positive slopes of 2.24 and 1.19 mV K−1, respectively, with temperature. Channel resistance was found to be increasing with decreasing temperature. The devices have shown a typical 1/f noise behavior in the frequency range of (1–50) Hz and 1/f2 type behavior in the frequency range of (50–100 Hz). At a temperature of 4.2 K, current vs. gate voltage characteristic at a fixed source drain bias shows clear coulomb peaks with different intervals for different gate bias voltages and the observed spikes were consistent within the sub-bands. We relate this to the single hole tunneling, mediated by the charged acceptors available in the channel region. Coupling strength of the dopants was also studied.

Studying the interaction of nano-particles with biological tissue at the nanometer scale in a form as close as possible to the native wet environment is a key challenge in many nano-toxicological questions. The nanomaterial risk identification involves their physico-chemical characterization currently employing a variety of techniques and separate instruments. This makes the characterization an expensive and time-consuming process.
Here, we are developing a new integrated instrument for the ion beam based characterization of nanoparticles. The aim is to improve the efficiency of the nanomaterial characterization workflow by integrating several ion beam based techniques in one single instrument. The npSCOPE instrument is based on the well known Helium Ion Microscope technology [1] allowing the sample to be irradiated with very finely focused He + and Ne + ion beams at the nanometer-scale. Furthermore, the instrument incorporates detectors for secondary electron imaging, a secondary ion mass spectrometer (SIMS) for chemical analysis [2] and a detector allowing the detection of transmitted ions/atoms to obtain in-situ structural/3D visualisation data (STIM) [3]. The instrument will allow the characterization of nanoparticles in their native state as well as embedded in complex matrices (e.g. biological tissue, liquid, etc.). A further key feature of the instrument is cryo-capability, including a 5 axis cryo-stage, in order to perform analyses of biological samples in a frozen-hydrated state and thus avoid artefacts caused by classical sample preparation (e.g. chemical fixation) used for HV or UHV imaging of biological specimens at room temperature.
Here, we will present the instrument, report on the instrument’s performance and discuss the correlative microscopy capabilities. We will present first results obtained with the npSCOPE instrument on different kinds of nano-particle samples relevant in the field of nano-toxicology.
*
(For further information please visit www.npscope.eu)
[1] G. Hlawacek, A. Golzhä user (eds.), Helium Ion Microscopy (2016) Springer.
[2] T. Wirtz, O. De Castro, J.-N. Audinot, P. Philipp, Ann. Rev. Anal. Chem. 12 (2019).
[3] E. Serralta, Nico Klingner, Olivier De Castro, Michael Mousley, Santhana Eswara, Serge Duarte Pinto, Tom Wirtz, Gregor Hlawacek; Scanning transmission imaging in the helium ion microscope using a microchannel plate with a delay line detector, submitted to Beilstein Journal of Nanotechnology (2020).
This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under grant agreement No. 720964.

Helium Ion Microscopy has become a standard imaging and nanofabrication technique in last decade. In my presentation I will introduce the technqiue and the underlying reasons for its exceptional capabilities. The latter include high lateral resolution, high depth of focus, ability to image insulating samples and exceptional nanofabrication capabilites. In the second part I will highlight selected applications of the method. This will include modification of 2D materials, magnetic materials and applications related to quantum technology. I will also allude on past and current developments in ion beam based analysis using the HIM.
[1] Hlawacek, G. & Gölzhäuser, A. (Eds.) Helium Ion Microscopy, Springer International Publishing, 2016.
[2] Hlawacek, G.; Veligura, V.; van Gastel, R. & Poelsema, B. Helium ion microscopy, J. Vac. Sci. Technol. B, 2014, 32, 020801

Helium Ion Microscope based nanofabrication

This talk covers the alpaka parallel programming library as well as the surrounding ecosystem. It features an introduction to the alpaka programming model, a presentation of the ecosystem libraries cupla, Vikunja, LLAMA and bactria, and a glimpse into the future.

The presentation gives an overview on a PEM fuel cell model developed within the framework of OpenFOAM. The capabilities of the model are demonstrated by simulating a conventional PEM fuel cell, which has been developed by CIEMAT. This cell is supplied by pure oxygen and hydrogen with a humidification of 100%, while operating at 80°C. The measured polarisation curve is reproduced by the OpenFOAM model quite well. Moreover, it allows to illustrate the current distribution, liquid water formation and the depletion of reactants within the porous electrodes. The model can easily be applied to other fuel cell geometries, thus helping in their design or operation.

In this contribution, we present the stratigraphy of the igneous and metamorphic rocks of the Taquetr´en Range, a sector located in the southernmost margin of the North Patagonian Massif (42◦42′ 00′′ S - 69◦30′00′′ W). Its igneous and metamorphic basement is composed of the newly defined “Lagunita Salada Igneous-Metamorphic Complex” (LSIMC), “Paso del Sapo Plutonic Complex” (PSPC) and “Sierra de Taquetr´en Plutonic Complex” (STPC). The LSIMC comprises gneisses, schists, amphibolites and migmatites, which share a S1–S2 penetrative foliation with a mean orientation of 300◦–330◦/40◦–60◦ NE. Based on mineral paragenesis, metamorphic conditions of these rocks are the result of Barrovian-type metamorphism in the upper amphibolite to granulite facies. EPMA Th–U–Pb ages of monazites display two isochron main populations at 379 ± 5 Ma and 323 ± 5 Ma, which suggest long-term high-temperature conditions for the region between Late Devonian and Carboniferous times. The Complex is intruded by concordant tonalites, granodiorites, porphyric granites and minor pegmatites and felsic dykes, which are grouped in the PSPC. Both the LSIMC and PSPC are intruded by unfoliated peraluminous granitoids grouped in the STPC. Based on field and microstructural data, the pervasive foliation identified in the PSPC was caused by processes ranging from magmatic flow to solid-state deformation, indicating a syntectonic emplacement. Zircon U–Pb analysis by LA-ICP-MS in the PSPC shows two distinguishable groups with concordia ages of 314.1 ± 2.2 Ma and 302.8 ± 2.2 Ma, interpreted as the crystallization and subsequent deformation age respectively, related to protracted high-strain conditions. The outcrops in this area represent an almost full tectonic cycle encompassing from medium-high grade metamorphic rocks and syn-tectonic intrusions to posttectonic intrusions, therefore configuring a key locality for the analysis of North Patagonian Paleozoic evolution. Moreover, based on the compilation of U–Pb zircon ages, a ~20 My magmatic gap period (360-340 Ma) is recognized in the southwestern margin of the North Patagonian Massif coeval with amphibolite-granulite facies metamorphism in different sectors of the Central Patagonian Igneous-Metamorphic Belt, presenting thus important implications for the tectonic evolution of the area.

The Sohland-Rožany Ni-Cu-(PGE) sulfide mineralization is hosted by a small gabbroic dike that is one of several Ni-Cu sulfide-bearing gabbroic intrusions in the northern Bohemian Massif. The intrusions are associated with a Middle Devonian to Early Carboniferous mafic-ultramafic plumbing system that emplaced within Cadomian granodiorites of the Lausitz Block. The Sohland-Rožany dike comprises varitextured olivine- and hornblende bearing gabbro and hornblende gabbro, with in particular the olivine-bearing lithologies affected by late-stage hydrothermal alteration. The variable lithotypes originated from differently fractionated magma batches. Fractionation likely took place in deeper parts of the magmatic systems, e.g. within staging magma chambers.
Mineralogical features like Ti-rich primary brown hornblende and diopsidic clinopyroxene as well as overall enriched incompatible element contents suggest moderate alkaline basaltic parental magmas with high volatile contents. The magmatic sulfide mineralization is exclusively hosted by the olivine- and hornblende-bearing gabbro and include disseminated, net-textured and massive sulfides. The mineralization types are predominated by pyrrhotitepentlandite-chalcopyrite assemblages accompanied by secondary violarite and pyrite as well as by accessory Pt, Pd, Au and Ag phases. The disseminated and net-textured sulfides have highly variable modal proportions of base metal sulfides with pyrrhotite-dominated beside chalcopyrite-dominated aggregates on the hand specimen scale. The platinum-group mineral (PGM) assemblage includes Pd-Pt-Ni-bearing bismuthotellurides of the melonite– merenskyite and michenerite–testibiopalladite solid solution series as well as sperrylite, of which bismuthian palladian melonite represents the most prominent PGE-bearing phase. The sulfide ores feature evolved Ni and highly variable Cu and Pt, Pd and Au tenors (3.5–7.5 wt.% Ni, 0.1–16.6 wt.% Cu, 80–3080 ppb Pt, 70–5320 ppb Pd and 20–3770 ppb Au). The magmatic sulfides are locally characterized by a late-stage hydrothermal overprint where sulfides were replaced by hydrous secondary phases (e.g. actinolite–tremolite and chlorite). A significant redistribution of the PGE due to hydrothermal alteration is unlikely as the majority of PGM show a close spatial association to the base-metal sulfides.
Textures and chemical compositions of the sulfides suggest that repeated magma batches eroded already fractionated sulfide pools and entrained early crystalized cumulates of monosulfide solid solution (MSS) together with variable fractionated sulfide melts. Sulfide saturation in the Sohland-Rožany magmas was likely controlled by fractional crystallization and assimilation of the granodioritic wall-rock in the course of thermomechanical erosion. The latter process was amplified by high mica contents of the granodiorites. Sulfur isotope signatures (–2.0 to – 1.2 ‰ VCDT) and the S-poor nature of the hosting granodiorites exclude a significant contribution of S from the country rocks.

JRA PRISES, Task 2.5: Development of common input/output standards of Particle-In-Cell (PIC) codes and associated in-situ and post-processing tools, Status report

The Annaberg-Buchholz district is a classic occurrence of hydrothermal five-element (U-Ag-Bi-Co-Ni-As) veins in the Erzgebirge (Germany) with a historical production of ~8700 t of Co ore, 496 t of U ore and 26.9 t of Ag. Multiple mineralization stages are recognized in polyphase veins hosted by Proterozoic paragneiss. Fluorite-barite-Pb-Zn mineralization occurs across the entire vertical profile of the district, whereas U and five-element stages are restricted to the upper 400 m below surface, coinciding with a graphite-rich gneiss lithology.
Here, we present field and petrographic observations, electron probe microanalysis and fluid inclusion data, as well as thermodynamic calculations to characterize fiveelement and fluorite-barite-Pb-Zn associations, and to constrain the origin of the vertical zoning in the Annaberg-Buchholz district. Microthermometric analyses of fluid inclusions related to the fluorite-barite-Pb-Zn stage yield homogenization temperatures between 78 and 140°C and salinities between 21.9 and 27.7 % eq. w(NaCl-CaCl 2 ).
A correlation of fluid inclusion Na/(Na+Ca) ratios with salinity suggests fluid mixing as a likely precipitation mechanism and relates ore-formation tentatively to regional tectonics of the Mesozoic opening of the Atlantic.Thermodynamic calculations indicate that U is more sensitive to reduction than As,
predicting that arsenide minerals are precipitated more distally relative to uraninite upon reduction along the fluid flow path. This implies that the observed vertical zoning is not a primary feature but is the result of hydrothermal remobilization. The observations made in the Annaberg-Buchholz district have general importance to the understanding of U-rich five-element mineralization and may be relevant for exploration targeting in unconformity-related U deposits.

Polymetamorphic garnet micaschists from the parautochthonous Kliening and the overlying Preims units in the lower part of the Austroalpine Saualpe basement in Carinthia (Austria, Eastern Alps) display complex microstructural and mineral-chemical relationships. Electron-beam based automated routines with EDX spectral mapping, WDS element mapping and manual WDS element analysis were applied for garnet mineral-chemical characterisation and monazite chemical dating. Two garnet porphyroblast generations and diverse monazite age populations have been revealed in low-Ca and high-Al-metapelites. Garnet 1 in both Kliening and Preims units has decreasing Mn, constant Ca and significantly increasing Mg from cores to rims. Geothermobarometry of garnet 1 assemblages signals a crystallization along a M1 prograde metamorphism culminating at 550 - 670 °C/7 - 8 kbar. In the Preims Unit a subsequent pervasive 300 - 250 Ma high-Y and high-Gd monazite 1 crystallisation coincides with the intrusion of Permian and Early Triassic pegmatites. In the Kliening Unit where pegmatites are lacking, no Permian monazites are observed. Coronas of apatite and allanite around the large Permian monazites in the Preims Unit signal a retrogressive stage. A M2 event with garnet 2 postdates the corona formation around Permian monazites. Garnet 2 displays always low Mn at high Ca and Mg, with increasing and then decreasing XCa at decreasing and then increasing XMg. The garnet 2 assemblages recorded a prograde P-T evolution at a high P/Tgradient, from 550 °C/8 kbar to 700 °C/10 - 13 kbar in the Kliening Unit, and from 600 °C/6 - 10 kbar to 700 °C/14 - 15 kbar in the Preims Unit. Monazite 2 populations with ages from 100 - 85 Ma and with lower Y and Gd contents crystallized at decreasing pressure subsequent to garnet 2, indicating a Cretaceous (Eo-Alpine) age for the metamorphic event M2. In the histogram view, the monazite age pattern in the Preims Unit and the overlying Saualpe Eclogite Unit are quite similar with Permian and Cretaceous age maxima. When regarding the considerable differences of peak pressures during the M2 event, a major tectonic discontinuity can be stated between these units. The Saualpe nappe units underwent two distinct clockwise metamorphic cycles at Carboniferous - Early Permian and then Cretaceous periods, related to continental collisions under different P-T regimes. This led to a characteristic distribution pattern of monazite ages in these units which is different from other Austroalpine basement areas.

Incremental pluton growth can produce sheeted complexes with no magma-magma interaction or large, dynamic magma bodies communicating via crystal and melt exchanges, depending on pulse size and frequency of intrusions. Determining the degree and spatial extent of crystal-melt exchange along and away from plutonic contacts at or near the emplacement level, such as in the large, long-lived Tuolumne intrusive complex (TIC) in California, sheds light onto the process and evolution of incremental growth.
This study used field mapping and petrographic and geochemical analysis of plagioclase and K-feldspar populations in the equigranular Half Dome (eHD), porphyritic Half Dome (pHD), and Cathedral Peak (CP) Granodiorites of the southeastern section of the TIC to determine the presence and/or extent of feldspar recycling at interunit contacts. Our results suggest that contacts between major units are predominantly ~400-m- to 3-km-thick gradational zones. K-feldspar is compositionally distinct in eHD and neighboring gradational zones and shows no evidence of mixing. K-feldspar in a gradational zone between pHD and CP shows evidence of mixing between the two. Plagioclase in eHD and CP display distinct ranges of anorthite content, Sr, and light rare earth element abundances; both populations are observed in pHD. Major oxide and trace element calculations of melts in equilibrium with plagioclase cores indicate that the melts were more silicic, less calcic, and lower in Sr and Rb than corresponding analyzed whole-rock samples. These results suggest that the magmas also underwent plagioclase and biotite accumulation. The presence of two plagioclase populations in pHD is consistent with eHD and CP hybridizing to form pHD in an increasingly maturing and exchanging TIC magmatic system during the eHD-pHD-CP stages but before groundmass and small K-feldspar phenocrysts crystallized.

Dieser Beitrag stellt Erzlabor, ein Spin-Off des HZDR, den Partnern des EIT RawMaterials in Europa vor.

Dieser Beitrag stellt Erzlabor, ein Spin-Off des HZDR, den Transferassistenten aus Sachsen vor.

Copper possesses a variety of applications. With regard to the primary copper production, enriched sulfidic copper concentrates are fed to the smelters. Within the last decades the copper concentration in usable ores/concentrates is decreasing. Concentrate content in impurities like arsenic, antimony, bismuth and other hazardous elements, which are mineralogically bonded, is on the rise. In addition to the state of the art partial roasting process, the removal of arsenic through alkaline sulfide leaching of respective copper concentrates is a viable option. Mineralogical and chemical compositions of arsenic-bearing concentrates are measured by PXRD, XRF and AES. The particle based mineralogy of examine concentrates is characterized by MLA. Moreover, fluid bed roasting and under nitrogen/oxygen atmosphere are conducted to examine operational parameters on arsenic removal with focus on the oxygen partial pressure. For the hydrometallurgical part leaching tests with a sulfide solution under alkaline conditions are conducted in a lab scale reactor allowing for direct process comparison.

This presentations shows novel analytical methods and geometallurgical modelling techniques for re-mining of tailing storage facilities.

‚Automatisierte Mineralogie‘ bezeichnet eine analytische Untersuchungsmethode auf Basis einer Kombination von Rasterelektronenmikroskopie (REM) und energiedispersiver Röntgenspektroskopie (EDS). Automatisierte mineralogische Untersuchungen bieten die einzigartige Möglichkeit quantitative Daten einer Vielzahl von Parametern aufzustellen, die für die Entwicklung und kritische Bewertung von Aufbereitungstests greifbar sind. Diese Parameter umfassen den modalen Mineralbestand, den kalkulierten Elementgehalt, Elementverteilungen, Mineralassoziationen, Größenverteilungen von Partikeln und Mineralkörnern, Partikeldichteverteilungen sowie die Mineralfreisetzung. Aus den Analysedaten können auch Proben-Übersichtsbilder (‚Mineralkarten‘) und Bilder bestimmter Mineralgruppen extrahiert werden.
Die Möglichkeiten werden anhand von zwei Beispielen verdeutlicht. Zum Einen wurde sogenannte Schwarzmasse charakterisiert, ein sekundärer Rohstoff, welche beim Recycling von Li-Ionenbatterien entsteht. Zum Anderen, geht es um primäre Lagerstätten, hier die Gewinnung von Platingruppenelementen in einer Chromitlagerstätte in Südafrika.

Lithium-Ionen-Batterien (LIBs) gehören zu den derzeit wichtigsten elektrochemischen Energiespeichersystemen für elektronische Mobilgeräte und Elektrofahrzeuge. Die wachsende weltweite Nachfrage nach LIBs, geht mit einer Erhöhung des Bedarfs an Co, Mn, Ni, Li und Graphit einher. Diese Erhöhung der Nachfrage dieser Rohstoffe stellt eine besondere Herausforderung für den schon jetzt angespannten weltweiten Rohstoffmarkt dar, verbunden mit Versorgungsrisiken, Preisschwankungen und Marktmonopolen. Tatsächlich sind Co und natürlicher Graphit in Europa seit 2010 als kritische Rohstoffe (CRM) geführt, Li sowie Mn befinden sich an der Grenze der Kritikalität. Um potenziell die Kluft zwischen Angebot und Nachfrage zu verringern sowie die europäischen Nachhaltigkeitsziele zu erreichen, hat das Recycling von Lithium-Ionen-Batterien (LIB) hat in den letzten Jahren viel Aufmerksamkeit auf sich gezogen. Hierbei wird sich hauptsächlich auf die wertvollen Metalle wie Kobalt, Nickel und Lithium konzentriert. Allerdings gehen während des Recyclingprozesses erhebliche Mengen anderer Komponenten wie Elektrolyt, Separator oder Graphit verloren. So kann Graphit zum Beispiel während der pyrometallurgischen Behandlung entweder abgeschlackt oder als Reduktionsmittel verbraucht werden. Darüber hinaus gehen einige andere wertvolle Metalle wie Co in den Grobfraktionen durch einen zu geringen Aufschlussgrad an die Berge verloren. Aus diesem Grund müssen neue und umfassende LIB-Recyclingverfahren gefunden werden.
In dieser Studie werden zur Freisetzung von aktiven Materialien aus Elektroden sowohl eine mechanische als auch thermo-mechanische Recyclingprozessroute angewendet. Dabei wird neben den werthaltigen Metallen insbesondere die Rückgewinnung von Graphit in den Fokus gestellt. Die mechanische Route arbeitet mit einem Schlagscherbrecher, während für die thermo-mechanischen Versuche die Batterien vor dem Zerkleinern bei 500-650 °C vakuumpyrolysiert wurden. Die sogenannte Schwarzmasse-Fraktion kleiner als 1 mm wurde abgetrennt und basierend auf der Partikelgrößenverteilung in 4 Größenfraktionen klassifiziert. Eine genaue Charakterisierung sowohl der Hauptchemie als auch eine detaillierte Charakterisierung der enthaltenen Phasen im recycelten Materials stellt nach wie vor eine große Herausforderung dar. Deshalb wurde jede Fraktion wurde durch verschiedene analytische Methoden charakterisiert, einschließlich Röntgenfluoreszenz (XRF), Röntgenbeugung (XRD), Atomabsorptionsspektrometrie (AAS). Für eine gute Visualisierung und Quantifizierung der Ergebnisse des Aufbereitungserfolgs und Prozesseffizienz ist eine detailliertere analytische Charakterisierung erforderlich. Diese Studie schlägt eine innovative und neuartige neue Charakterisierungsmethode vor, die auf automatisierter Mineralogie basiert. Dabei werden verschiedene wichtige Partikelparameter wie Größe, Zusammensetzung und Verwachsung analysiert und quantitativ ausgewertet. Das für die Messungen genutzte Mineral Liberation Analyzer (MLA) System nutzt eine Kombination aus Rasterelektronenmikroskopie (REM) -Bildanalyse und energie-dispersiver Röntgenspektroskopie (EDS) und ist im primären Rohstoffsektor als leistungsstarke Methode etabliert. Allerdings fehlen für den Einsatz im sekundären Rohstoffsektor dezidierte Datenbanken, um die Partikel der Schwarzmasse schnell und präzise analysieren zu können. Eine analytische Herausforderung dieser Studie ist es demnach auch eine Datenbank zur Batteriecharakterisierung zu erstellen und für breite Anwendungsbereiche einsetzen zu können.
Im Ergebnis zeigt die hier vorgestellte Studie, dass bei den angewendeten Zerkleinerungsverfahren eine Freisetzungsselektivität der Elektrodenfolien beobachtet werden konnte. Der thermo-mechanische Prozess setzt dabei mehr aktive Partikel aus den Folien frei als ein mechanischer Prozess allein. Infolgedessen sind insbesondere bei thermo-mechanisch zerkleinerten Proben die meisten Graphitpartikel in der <63 um-Fraktion konzentriert. Cu-Folien werden generell besser aufgeschlossen als Al-Folien. Es wurde jedoch festgestellt, dass der Prozesstyp unterschiedliche Auswirkungen auf die Freisetzung von Al-Folie hat. Der thermomechanische Prozess setzt mehr Metalloxide aus der Al-Folie frei als nur der mechanische Prozess. Der Al-Bruch wird jedoch stärker durch die Wärmebehandlung beeinflusst, wodurch feinere Al-Partikel entstehen, die für weitere hydrometallurgische Wege problematisch sein können.

Lithium-ion batteries (LIBs) are currently the most important electrochemical energy storage sys-tems for electronic mobile devices and electric vehicles. The growing global demand for LIBs is accompanied by an increase in the need for Co, Mn, Ni, Li and graphite. In order to narrow the gap between supply and demand and to achieve the European sustainability goals, the recycling of LiBs has attracted a lot of attention in recent years. Here, the focus is on valuable metals such as cobalt, nickel and lithium as well as graphite. In addition, due to its chemical and phase compositions, the battery material remains to be a huge challenge for a proper materials characterization. Hence, there is not only a need to find innovative and comprehensive LiB recycling process solutions but also to develop new analytical workflows to enhance the understanding of the battery material.
In this study, LIBs are fed to a mechanical and thermo-mechanical recycling process route to release active materials from electrodes foils. In addition to the valuable metals, the focus is particularly on the recovery of graphite. The mechanical route works with an impact shear crusher, while for the thermo-mechanical tests the batteries were vacuum pyrolyzed at 500-650 °C before crushing. The so-called black mass fraction smaller than 1 mm was separated and further classified into four size fractions. Accurate characterization of both the main chemistry and detailed characterization of the phases contained in the recycled material remains a major challenge. Therefore, each fraction has been characterized by different analytical methods, including X-ray fluorescence (XRF), inductively coupled plasma optical emission spectroscopy (ICP-OES). For a good visualization and quantifica-tion of the results of the processing success and process efficiency, a more detailed analytical char-acterization is required. This study proposes an innovative and novel characterization method based on automated mineralogy. Various important particle parameters such as size, composition and ad-hesion are analyzed and quantitatively evaluated. The Mineral Liberation Analyzer (MLA) system used for the measurements uses a combination of scanning electron microscopy (SEM) image analy-sis and energy-dispersive X-ray spectroscopy (EDS) and is established as a powerful method in the primary raw materials sector. However, there are no dedicated databases for use in the secondary raw materials sector in order to analyze black mass material in a fast and precise manner. An analyti-cal challenge of this study is therefore to create a database for battery characterization and to be able to use it for a wide range of applications.
Results of this study display a selective liberation of electrode foils during the beneficiation process. The thermo-mechanical process releases more active particles from the foils than a mechanical pro-cess alone. Hence, most of the graphite particles are liberated and concentrated in the < 63 μm frac-tion, in particular in the case of thermo-mechanically treated samples. Cu foils are generally better liberated than aluminium foils. However, it was found that the process type has different effects on Al foil liberation. The thermomechanical process liberates more metal oxides from the Al foil than the mechanical process alone but Al breakage is more affected by thermal treatment, resulting in finer Al particles.

Der moderne Bergbausektor steht vor gewaltigen technischen Herausforderungen. Dazu zählen der Rückgang von Erzgehalten, der zunehmende Umgang mit komplexen Mineralparagenesen und sehr feinen Korngrößen aber auch einer steigenden Erzvariabilität. Mit Hilfe geometallurgischer Modelle versucht die Bergbauindustrie diese Herausforderungen zu bewältigen und das Verhalten des Erzes während des Abbaus, der Aufbereitung und der Verhüttung quantitativ vorherzusagen. Um hier einen Beitrag zu leisten, wird am Standort Freiberg seit 2008 geometallurgische Kernkompetenz aufgebaut. Diese Entwicklung wurde mit der Gründung des Helmholtz-Instituts Freiberg für Ressourcentechnologie (HIF), einer gemeinsamen Gründung des Helmholtz-Zentrums Dresden-Rossendorf (HZDR) und der TU Bergakademie Freiberg (TU Bergakademie Freiberg) im Jahr 2011, stark beschleunigt. Aus diesem Grund zählt Freiberg heute weltweit zu den wichtigsten Forschungs- und Entwicklungsstandorten der Geometallurgie. In diesem Artikel werfen wir einen Blick auf den aktuellen Stand der Entwicklungen, mit Fokus auf zwei sehr erfolgreiche Projekte im Bereich der geometallurgischen Modellierung, sowohl primärer als auch sekundärer Rohstoffe.

We present an experimental result of significantly increased heating in a laser-driven blastwaveexperiment carried out at the OMEGA laser facility. Abnormally high temperatures wereobserved in warm dense CH compared to older experiments and theoretical predictions. Thehigher temperatures in compressed CH were linked to an improved smoothness of the laserintensity profile, which resulted in better efficiency of the drive and coupling of more energyinto the system compared to previous similar experiments. Fifteen beams with combinedintensity of∼7×1014W cm−2and a square intensity profile with 2 ns duration were used todrive a strong shock, which subsequently developed to a blastwave travelling through lowdensity CH foam creating warm dense matter. Multiple diagnostics were used to examine thethermodynamic conditions in the warm dense CH foam. Velocity interferometry (VISAR) andstreaked pyrometry (SOP) observed increased blastwave velocities, while x-ray Thomsonscattering (XRTS) measured elevated temperatures of 17.5−35 eV in compressed CH foam.The experimental results were compared to hydrodynamic simulations and a potentialcontribution from x-rays to the elevated temperatures in the dense material was considered.

Switching the energy supply from today’s dominant fossil sources to mainly variable renewable energies (wind and solar) means a fundamental change. It will entail the transformation from a centralised energy system to distributed generation that needs flexibility options to balance supply and demand across time and space. Transmission grid expansions can only partially account for the resulting variations in supply. Therefore, large-scale stationary storage will gain importance in future energy landscapes.

Among the candidates to meet the growing demand for stationary storage are liquid metal batteries (LMBs). Their active materials as well as the electrolyte are in the liquid state. The cell interior consists of two layers of liquid metals interspaced by a molten salt electrolyte in stable density stratification. This conceptually very simple and self-assembling structure has the unique advantage to allow for an easy scale-up at the cell level: single-cell cross sections can potentially reach several square-meters. Such cell sizes enable highly favourable and otherwise unattainable ratios of active to construction material because of the cubic scaling (volume) of the former and the quadratic scaling (surface) of the latter. The total costs should therefore largely be determined by those of the active materials. While mass transport in most modern battery systems is typically dominated by diffusion and migration in micrometer-scale liquid layers and solids, convection - with exception of redox-flow batteries - rarely plays a role. This is in stark contrast to LMBs were mediated by the fully liquid interior fluid flow can be driven by various mechanisms and has a strong influence on cell performance and operational safety. Electric currents, magnetic fields, and heat and mass transfer are tightly coupled with the cells’ electrochemistry.

The talk will focus on the influence of solutal convection in the positive electrode on the cycling behaviour of a cell. We consider a Li-Bi battery, a cell chemistry for that ample experimental material is available in the literature. While this is true for the electrochemical characteristics, detailed experimental information on the flow in these batteries is largely missing. To compensate at least partially for this deficiency, we employ three different codes and compare their results. In the discharged state, the positive electrode consists of a Li(Bi) alloy. When charging the cell, low density Li is removed from the top of the positive electrode. This increases locally the density of the alloy and Li-depleted fluid starts to sink down in plumes. Rapidly, solutal convection drives a flow in the whole cathode and intensely mixes the remaining alloy. While stabilising thermal gradients can occur, densities of the positive electrode’s metal (Bi in our case) are typically an order of magnitude larger than the negative electrode metal (Li here) ones. In comparison, thermal expansion coefficients are quite small and due to the good thermal conductivity of metals, temperature differences tend to be smoothed out quickly. Thus, compositional (i.e. solutal) gradients should dominate over thermal ones and constitute the primary cause or inhibitor of motion in the positive electrode.

The OpenFOAM solver is based on buoyantBoussinesqPimpleFOAM extended by the concentration convection- diffusion equation and by a variable density depending on temperature as well as composition. Mass transfer through the electrolyte-positive electrode interface is captured by an electrochemically consistent mass flux boundary condition.

Onset of solutal convection from an initially well mixed state is studied in 2D for different charging currents. The results are compared to computations done with the spectral element solver Semtex and with the mixed spectral and finite element code SFEMaNS. Both programs are available under the GNU General Public License. While different onset times are to be expected due to the various numerical approaches, growth rates obtained with all three solver match very well. Development of the plumes that are the immediate consequences of the instability is quite consistent across the codes, as well as the formation of larger vortical structures at later stages.

Computations in 3D allow for a more realistic description of the flow and a better understanding of mixing. Due to the limited computational resources available to us we undertook these investigations with the more specialised and fast code Semtex only. Even with this code, care had to be taken to sufficiently resolve the fine plume structures in the early phases of flow development especially near the cells rim.

Properly capturing flow development and mixing in the positive electrode of a typical liquid metal battery allows for a correct description of the cell’s cycling behaviour.

The H2020 Project FineFuture aims at the improvement of the recovery of (ultra) fine particles from primary and secondary resources. Having reached the halftime of the project first results are available, and demonstrate that the proposed advances in the recovery of critical raw materials can be achieved.

Das Wohnhaus Wieckestraße Nr. 10 in Dresden ist fast 100 Jahre alt und eines der letzten original erhaltenen Gebäude in der Doppelhaus-Siedlung in Leubnitz-Neuostra. Es steht nicht unter Denkmalschutz. Anliegen ist es, möglichst viel originale Substanz zu erhalten und das Gebäude nachhaltig, ökologisch und der Substanz angemessen zu sanieren und umzubauen. Dabei ist es eine Herausforderung, bei nahezu gleichbleibender Kubatur des kleinen Hauses sowohl mehr Raum, Licht und Großzügigkeit zu schaffen als auch eine gute Balance zwischen denkmalgerechter Sanierung und energetischer Ertüchtigung herzustellen. Ziel ist es, die Förderstufe des KfW-Effizienzhauses 115 zu erreichen. Die Sanierung hat im Juni 2020 begonnen, Fertigstellung und Einzug sind für Dezember 2020 geplant. Trotz vollberuflicher Einbindung erbringen die Bauleute wertvolle Eigenleistungen. Zur Unterstützung und Förderung eines möglichst reibungslosen Ablaufes, für gut funktionierende Abstimmungen, eine wertschätzende Kommunikation, gegenseitigen Respekt und Vertrauen sind vor Baubeginn durch die Architektin, die auch als Dialogprozess-Begleiterin ausgebildet ist, dialogische Kompetenzen und der Dialog als Methode und Übungsform vorgestellt worden. Die bisherige Resonanz ist sehr positiv.

The interaction of Eu(III) with thin sections of migmatised gneiss from the Bukov Underground Research Facility (URF), CZ was characterized by microfocus time-resolved laser-induced luminescence spectroscopy (µTRLFS) with a spatial resolution of ~20 µm, well below typical grain sizes of the material. By this approach, sorption processes can be characterized on the molecular level while maintaining the relationship of the speciation with mineralogy and topography. The sample mineralogy was characterized by powder X-ray diffraction and Raman microscopy and the sorption was independently quantified by autoradiography using Eu-152. Representative µTRLFS studies over large areas of multiple mm2 reveal that sorption on the heterogeneous material is not dominated by any of the typical major constituent minerals (quartz, feldspar, and mica). Instead, minor phases such as chlorite and prehnite control the Eu(III) distribution, despite their low contribution to the overall composition of the material, as well as common but less studied phases like Mg-hornblende. Especially prehnite shows high a sorption uptake as well as strong binding of Eu to the mineral surface. Sorption on prehnite and hornblende happens at the expense of feldspar, which showed the highest sorption uptake in a previous spatially-resolved study on granitic rock. Similarly, sorption on quartz is reduced, even though only low quantities of strongly bound Eu(III) were found here previously. Our results illustrate how competition of mineral surfaces for adsorbing cations drives metal distribution in heterogeneous systems.

Surface tension experiments were performed using the drop profile analysis tensiometry method. The hexane was injected into the measuring cell at certain times before the formation of the solution drop. The influence of the capillary diameter and solution drop size on the measured apparent dynamic surface tension was studied. The amount of hexane transferred from the vapor phase to the drop was estimated. For large pure water drops, it was shown that the ageing of the drop in the hexane vapor during a long time resulted in the formation of a liquid hexane phase covering the drop, but the volume of this phase did not exceed 0.5 mm3. On the contrary, for surfactant solution drops the volume of the hexane phase covering the drop was essentially larger. Experiments with solution drops were performed to measure the surface tension within a wide range of surfactant concentration. It was found that the dependencies of dynamic surface tension on the C13DMPO and C14EO8 solutions concentration exhibit maxima at concentrations of about 1–2 μmol/L for C14EO8 and 2–5 μmol/L for C13DMPO at ageing times of 100 to 1000 s; these maxima were shown to exist also at equilibrium. This phenomenon is presumably ascribed to the competitive character of simultaneous adsorption of hexane and surfactant.

The studies reported here focus on the extraction of La(III), Eu(III), and Yb(III) by chelating hexadentate 3-alkoxy-2-hydroxyphenyl substituted diimine ligands using the extraction system Ln(NO₃)₃–Zn(NO₃)₂–NaNO₃–buffer–H₂O/diimine-n-caprylic acid–CHCl₃. Significant synergistic enhancement has been observed for the Ln(III) extraction from nitrate media in the presence of Zn(II) and n-caprylic acid. These effects can be 15 interpreted by self-assembly of heterodinuclear Zn(II)/Ln(III) complexes with both deprotonated extractants in the organic phase taking into account solution and solid-state structural studies. The structures identified and the extraction behavior as well as the different factors influencing the process will be 20 discussed in detail. The goals of these experiments are to find preferred structure-extractability relationships for the synergistic systems investigated.

Europa ist auf den Import zahlreicher ökonomisch bedeutender Metalle angewiesen, wobei diese gleichzeitig in vielen sekundären Ressourcen gebunden sind, deren Potential nicht vollständig genutzt wird. Im Rahmen des CHROMIC-Projektes sollen kritische (Cr, Nb) und wertvolle (V, Mo) Metalle unter der Entwicklung innovativer Prozesse zurückgewonnen werden. Dabei erfolgt die gezielte Kombination einer verbesserten Vorbehandlung, einer selektiven alkalischen Laugung sowie einer hoch selektiven Metallrückgewinnung.
Im Zuge des hydrometallurgischen Verfahrens können verdünnte vanadiumhaltige Lösungen erhalten werden, welche für eine effektive Rückgewinnung des Zielmetalls weiter angereichert und aufgereinigt werden müssen. Der vorliegende Beitrag beinhaltet den Vergleich eines mehrstufigen Fällungs- und Solvent-extraktionsprozesses mit der direkten Fällung von Vanadaten aus den beladenen organischen Phasen. Letztere ermöglicht zugleich die Synthese von Nanopartikeln unterschiedlicher Metallvanadate. Der Einfluss der experimentellen Parameter (z. B. Art des Kations, Konzentration von Fällungs- und Extraktionsmitteln sowie des Zielmetalls) wird näher diskutiert, wobei die isolierten Produkte mittels XRD, XRF sowie REM-EDX strukturell charakterisiert werden.

The surface tension of C13DMPO aqueous solution drops in hexane vapor is studied using the drop profile method. The hexane was injected into the measuring cell at three different conditions: before the formation of the solution drop, at a certain moment during the adsorption process, and after reaching the equilibrium of surfactant adsorption. The surface tension values for all experiments at the same concentration and different injection situations ultimately coincide with each other after attaining the final equilibration stage. The equilibrium surface tension isotherms of C13DMPO solutions, and the adsorption of both components—surfactant and hexane—were calculated. It was shown that the presence of surfactant leads to an increased hexane adsorption.

PURPOSE: To assess the added value of serial blood biomarkers in liver metastasis stereotactic body radiotherapy (SBRT).
MATERIALS AND METHODS: Eighty-nine patients were retrospectively included. Preand mid-treatment blood samples were analyzed for potential biomarkers of the treatment response. Three biomarker classes were studied: gene mutation status; complete blood count (CBC); and inflammatory plasma cytokine (IPC). One-year local failure (LF) and two-year overall survival (OS) were chosen as study endpoints.
Multivariate logistic regression was used for response prediction. Added predictive benefit was assessed by quantifying the difference between the predictive performance of a baseline model (clinicopathological and dosimetric predictors) and the biomarkerenhanced model, using three metrics: (i) likelihood ratio (LR), predictive variance (PV) , and (iii) area under the receiver-operating characteristic curve (AUC).
RESULTS: The most important predictors of LF were mutation in KRAS gene (HR=2.92, 95% CI=[1.17-7.28], p=0.02), and baseline and mid-treatment concentration of plasma interleukin (IL)-6 (HR=1.15 [1.04-1.26], and 1.06 [1.01-1.13], p 0.01).
Absolute lymphocyte count (ALC) and Platelets-to-lymphocyte ratio (PLR) at baseline, as well as neutrophil-to-lymphocyte ratio at baseline and before fraction 3 (HR=1.33 [1.16-1.51] and 1.19 [1.09-1.30]) had the most significant association with OS (p 0.0003). Addition of baseline GEN and IPC biomarkers in predicting LF respectively increased AUC by 0.06 (from 0.73 to 0.79) and 0.07 (from 0.77 to 0.84). In predicting OS, inclusion of mid-treatment CBC biomarkers increased AUC from 0.72 to 0.80, along with significant boosts in LR and PV.

This work is devoted to the influence of NaCl salt concentration on the formation and stability of colloidal gas aphrons (CGA) produced by the anionic surfactant sodium dodecyl sulfate (SDS) and zwitterionic surfactant coco amido propyl betaine (CAPB) in the presence of xanthan gum (XG) as a stabilizer. Dynamic surface tension measurements as well as volume and half-life time of the produced foams are considered for stability analysis. A sharp decrease of the half-life time and volume of the CGAs at NaCl concentrations larger than 20,000 ppm was observed, which was attributed to the precipitation of SDS in the solution. The mentioned SDS precipitation altered the dynamic surface tension behavior, dilational surface elasticity, and turbidity of the solution. The main reason for the precipitation of SDS is the increased Krafft point caused by the addition of salt. However, for the zwitterionic surfactant CAPB, the effects of added NaCl on the interfacial properties required for CGAs production was negligible due to the simultaneous effects on the cationic and anionic head groups in the CAPB leading to negligible changes in the net repulsion forces. Yet, an overall reduction in the half-life time of CGAs with increasing salt concentration, even when we have no precipitation, was observed for both surfactants, which could be explained by the reduction in the ability of XG to increase the viscosity with increasing salt concentration.

Tetravalent metal ions are hydrolyzed under presence of N,N,N-trimethylglycine hydrochloride (betaine hydrochloride, [Hbet]Cl) in aqueous solutions to afford [M6(μ3-O)4(μ3-OH)4(μ-bet)8(κ-bet)4(H2O)4]12+ (M4+ = Zr4+ (1), Hf4+ (2)) as hydrated perchlorate salts. These compounds were characterized by single crystal X-ray diffraction, elemental analysis and IR spectroscopy. As a result, we have found that fluorite-like [M6O8] coordination clusters is formed through octahedral arrangement of six M4+ linked by μ3-O atoms. Additionally, each pair of neighboring M4+ are connected by the μ-bet ligand through a syn-syn bridging coordination of its carboxylate moiety. This interaction seems to prevent further growth of the fluorite structure leading to formation of MO2. It was difficult to directly distinguish each μ3-O atom to be μ3-OH− or μ3-O2− due to its strongly anisotropic thermal displacement in the obtained structures. Bond valence sum analysis suggested that four μ3-OH− and four μ3-O2− are alternately arranged in the [M6O8] core motifs. Indeed, such a symmetric structure of [M6(μ3-O)4(μ3-OH)4] was confirmed in another phase of 1 at 296 K, where 1 transforms to a monoclinic structure (1’). The number of ClO4− counteranions found in the structure determination is not enough to compensate +12 charge of [M6(μ3-O)4(μ3-OH)4(μ-bet)8(κ-bet)4(H2O)4]12+ in any unit cells of 1, 1’ and 2. Instead, large solvent/ion accessible voids have been actually observed in their crystal structures, indicating that the missing ClO4− are located there and significantly disordered to make them invisible in the crystallography.

As for everybody else also for the Institute of Ion Beam Physics and Materials Research (IIM), the COVID-19 pandemic overshadowed the usual scientific life in 2020. Starting in March, home office became the preferred working environment and the typical institute life was disrupted. After a little relaxation during summer and early fall, the situation became again more serious and in early December we had to severely restrict laboratory activities and the user operation of the Ion Beam Center (IBC). For the most part of 2020, user visits were impossible and the services delivered had to be performed hands-off. This led to a significant additional work load on the IBC staff. Thank you very much for your commitment during this difficult period. By now user operation has restarted, but we are still far from business as usual. Most lessons learnt deal with video conference systems, and everybody now has extensive experience in skype, teams, webex, zoom, or any other solution available. Conferences were cancelled, workshops postponed, and seminar or colloquia talks delivered online. Since experimental work was also impeded, maybe 2020 was a good year for writing publications and applying for external funding. In total, 204 articles have been published with an average impact factor of about 7.0, which both mark an all-time high for the Institute. 13 publications from last year are highlighted in this Annual Report to illustrate the wide scientific spectrum of our institute. In addition, 20 new projects funded by EU, DFG, BMWi/AiF and SAB with a total budget of about 5.7 M€ have started. Thank you very much for making this possible.
Also, in 2020 there have been a few personalia to be reported. Prof. Dr. Sibylle Gemming has left the HZDR and accepted a professor position at TU Chemnitz. Congratulations! The hence vacant position as the head of department was taken over by PD Dr. Artur Erbe by Oct. 1st. Simultaneously, the department has been renamed to “Nanoelectronics”. Dr. Alina Deac has left the institute in order to dedicate herself to new opportunities at the Dresden High Magnetic Field Laboratory. Dr. Matthias Posselt went to retirement after 36 years at the institute. We thank Matthias for his engagement and wish him all the best for the upcoming period of his life.
However, also new equipment has been setup and new laboratories founded. A new 100 kV accelerator is integrated into our low energy ion nanoengineering facility and complements our ion beam technology in the lower energy regime. This setup is particularly suited to perform ion implantation into 2D materials and medium energy ion scattering (MEIS).
Finally, we would like to cordially thank all partners, friends, and organizations who supported our progress in 2020. First and foremost we thank the Executive Board of the Helmholtz-Zentrum Dresden-Rossendorf, the Minister of Science and Arts of the Free State of Saxony, and the Ministers of Education and Research, and of Economic Affairs and Energy of the Federal Government of Germany. Many partners from univer¬sities, industry and research institutes all around the world contributed essentially, and play a crucial role for the further development of the institute. Last but not least, the directors would like to thank all members of our institute for their efforts in these very special times and excellent contributions in 2020.

The potential of metal–organic frameworks (MOFs) for applications in optoelectronics results from a unique combination of interesting photophysical properties and the straightforward tunability using a large, ever growing set of organic and inorganic building units. Here, we demonstrate that using the MOF approach chromophores can be assembled into well-ordered 1D arrays using metal-oxo strands as lead structure. We demonstrate that the resulting porphyrinic rows exhibit unique photophysical properties and allow the realization of highly-sensitive photodetectors. A porphyrinic MOF thin film, SURMOF In-TCPP with [021] growth orientation, was fabricated using a layer-by-layer method, from In(NO3)3 and TCPP (5,10,15,20-(4-carboxyphenyl)porphyrin) linkers. A detailed experimental and theoretical analysis revealed that the assembly yields a structure where In-oxo strands running parallel to the substrate fix the chromophoric linkers in space to yield regular 1D arrays of porphyrins. The frontier orbitals of this highly anisotropic arrangement are localised in these columnar arrangements of porphyrins and give rise to a high photoactivity, which has been exploited to fabricate an efficient photodetector with a high responsivity of 7.28 × 1014 Jones for light with wavelength of 420 nm and short rise/fall times (0.10/0.05 s). This present work of oriented MOF thin film based high-sensitive photodetector for violet light provides a new avenue to combine the advantages of both inorganic and organic units for huge potential applications in optoelectronic devices.

Ab initio quantum Monte Carlo (QMC) methods in principle allow for the calculation of exact properties of correlated many-electron systems, but are in general limited to the simulation of a finite number of electrons N in periodic boundary conditions. Therefore, an accurate theory of finite-size effects is indispensable to bridge the gap to realistic applications in the thermodynamic limit. In this work, we revisit the uniform electron gas (UEG) at finite temperature as it is relevant to contemporary research e.g. in the field of warm dense matter. In particular, we present a new scheme to eliminate finite-size effects both in the static structure factor S(q) and in the interaction energy v, which is based on the density response formalism. We demonstrate that this method often allows to obtain v in the TDL within a relative accuracy of ∼0.2% from as few as N=4 electrons without any empirical choices or knowledge of results for other values of N. Finally, we evaluate the applicability of our method upon increasing the density parameter rs and decreasing the temperature T.

Lipase is one of the most important enzymes playing a key role in many biological and chemical processes, in particular for fat hydrolysis in living systems and technological applications such as food production, medicine, and biodiesel production. As lipase is soluble in water, the major hydrolysis process occurs at the water–oil interface, where lipase can get in contact with the oil. To provide optimum conditions, the emulsification of the oil is essential to provide a large interfacial area which is generally done by adding surfactants. However, the presence of surfactants can influence the lipase activity and also cause competitive adsorption, resulting in a removal of lipase from the interface or its conformational changes in the solution bulk. Here we have studied the dynamics of competitive adsorption and interfacial elasticity of mixed solutions containing lipase and the anionic surfactant sodium dodecyl sulfate (SDS) or the cationic surfactant cetyltrimethylammonium bromide (CTAB), respectively, at the water–air interface. The experiments were performed with a special coaxial double capillary setup for drop bulk–interface exchange developed for the drop profile analysis tensiometer PAT with two protocols: sequential and simultaneous adsorption of single components and mixed systems. The results in terms of dynamic surface tension and dilational viscoelasticity illustrate fast and complete desorption of a preadsorbed CTAB and SDS layers via subphase exchange with a buffer solution. In contrast, the preadsorbed lipase layer cannot be removed either by SDS or CTAB from the interface during drop bulk exchange with a buffer solution due to the unfolding process and conformation evolution of the protein molecules at the interface. In the opposite case, lipase can remove preadsorbed SDS and CTAB. The dynamic surface tension and viscoelasticity data measured before and after subphase exchange show joint adsorption of lipase and CTAB in the form of complexes, while SDS is adsorbed in competition with lipase. The results are in good correlation with the determined surface charges of the lipase gained by computational simulations which show a dominant negatively charged surface for lipase that can interact with the cationic CTAB while partial positively charged regions are observed for the interaction with the anionic SDS.

The Polish-German joint project NOMECOR funded by the STAIR-II-program (BMBF, NCBR) investigated in the utilization of tailings material from a Polish flotation pond. The novel approach was to combine the valorization of strategic minerals with the utilization of the mineral compartments as construction material.
Conventional ammoniacal leaching combined with further processing steps has proven to be successful, while bioleaching was not really possible with the given composition of the material. In addition, the processing of the tailings material to be used as input material in cement production was also technically feasible.
The accompanying assessment of the innovative technologies in technological, environmental and economic respect, however, brought the conclusion that in particular the economic feasibility is not given with the proposed processing steps competing with very low deposition costs. At that stage the implementation concept was reconsidered to be more simplified using part of the tailings material directly after fractioning as construction material for building the dam, which was both technical and econmical feasible.

Satellite images have been widely used to characterize mineral alteration zones in surface rocks affected by hydrocarbons’ upward seepage. Likewise, magnetic surveys over oil fields have been employed for similar purposes. This work integrates satellite image spectral analyses with rock magnetic and geochemical data (i.e., mass-specific magnetic susceptibility χ, saturation isothermal remanent magnetization SIRM, analysis of SIRM acquisition curves, absorption spectro-radiometry, and X-ray diffraction analyses). The target area was an oil- prospective region in northwestern Venezuela (Falcon Basin) swarmed by hydrocarbon seeps. The study’s main goal was to depict the spatial extension and vertical reach of the hydrocarbon-mediated alteration pro- duced by these seeps and gain some knowledge about the processes involved in the subsequent mineral changes. Multispectral and hyperspectral satellite images showed three hydrocarbon-induced diagenetic anomalies (HIDAs) associated with undifferentiated clays and kaolinite, and low dolomite content. A simple weathering model was suggested combining the likely effects of the ascending seepage of oil and gas with the seasonal alternation of leaching and evaporation of meteoric waters. This model explains the magnetic enhancement with depth due to Fe oxides and sulfides’ formation by reducing and oxidizing events. A non-supervised Two-Step Cluster Analysis (TSCA) was applied to integrate geochemical and rock magnetic properties with satellite images. The input variables were log SIRM and proxies of undifferentiated clays and dolomite concentrations obtained from the band-ratio ASTER images. The TSCA yields three clusters associated with different alteration levels in the top and low (0.3–1 m) soils and sediments. By mapping the class membership of each sampling site, for both depth levels, it was possible to obtain a broad view of the synergistic change of these combined properties, not only over the whole extent of the study area but also from top to bottom of the weathered sequence. This case study illustrates the potential of such an integrated method as an oil exploration tool, and a means to assess the level and scope of the environmental impact produced by hydrocarbon seepage on terrestrial ecosystems.

Situated in the western Erzgebirge metallogenetic province (Vogtland, Germany) the Eichigt prospect is associated with several hydrothermal quartz veins that are exposed at surface. Bulk-rock geochemical assays of colloform Fe- and Mn-oxide aggregates associated with these veins yield high concentrations of Li (0.6-4.1 kg/t), Co (0.6-14.7kg/t) and Ni (0.2-2.8 kg/t), as well as significant quantities of Mn, Cu and light rare earth elements, a very unusual metal tenor closely resembling the mixture of raw materials needed for Li-ion battery production. This study reports the results of a first detailed investigation of this rather unique polymetallic mineralization style, including detailed petrographic and mineralogical studies complemented by bulk rock geochemistry, electron microprobe analyses and laser-ablation inductively-coupled massspectrometry. The mineralized material comprises of an oxide assemblage of goethite and hematite, hollandite and lithiophorite that together cement angular fragments of vein quartz. Lithiophorite is the predominant host of Li (3.6-11.1 kg/t), Co (2.5-54.5 kg/t) and Ni (0.2-8.9 kg/t); Cu is contained in similar amounts in hollandite and lithiophorite whereas LREE are hosted mostly in microcrystalline rhabdophane and florencite finely intergrown with the Mn oxyhydroxides. 40Ar/39Ar ages (~40-34 Ma) of manganomelane link the polymetallic oxyhydroxide mineralization to geothermal
activity associated with Cenozoic opening of the Eger rift system. A low temperature hydrothermal overprint of pre-existing base metal sulfide-quartz mineralization on fault structures that were reactivated during continental rifting is thus identified as the most likely origin of the polymetallic oxyhydroxide mineralization at Eichigt. A mixture of metal remobilization from precursor metal sulfide mineralization and/or leaching of crustal rocks may have given rise to the unusual metal tenor.

The Freiberg district hosts one of the largest series of epithermal polymetallic vein deposits in Europe. Systematic sampling during historic mining provides an excellent opportunity to study the anatomy of these epithermal systems. Detailed petrographic investigations, geochemical analyses and fluid inclusion studies were conducted on several vertical profiles within the Freiberg district to decipher mineralogical and geochemical zoning patterns. Six distinctive mineral associations have been recognized within the Freiberg epithermal veins; sphalerite-pyrite-quartz and galena-quartz-carbonate associations are most abundant in the central sector, as well as the deepest sections of veins on the periphery of the district. A high-grade sphalerite-Ag-sulfides-carbonate association occurs laterally between the central and peripheral sectors, and at intermediate depth in veins on the periphery. Shallow and peripheral zones are dominated by an exceptionally Ag-rich Ag-sulfides-quartz association, whereas the shallowest veins locally comprise Ag-poor stibnite-quartz and quartz-carbonate associations. Fluid inclusion assemblages returned low salinities (<6.0 % eq. w(NaCl)), and homogenization temperatures successively decrease from ~320°C associated with the proximal and deep sphalerite-pyrite-quartz association, to ~170°C related to the distal and shallow Ag-sulfides-quartz association.

The Waschleithe skarn is situated in the northern sector of the Schwarzenberg District in the western Erzgebirge (Germany), a district which hosts several large polymetallic skarn deposits. The Waschleithe is a Zn-dominant skarn comprising abundant dark Mn-rich hedenbergite, minor grandite garnet and magnetite related to the prograde stage, as well as epidote, quartz, fluorite, amphibole, chlorite, ilvaite, and Mn-rich pyroxenoids related to the retrograde stage of skarn formation. Ore minerals are related to the early retrograde stage and include sphalerite, galena, chalcopyrite, pyrite as well as minor amounts of scheelite and cassiterite. Fluid inclusion homogenization temperatures range from ∼385 to 360°C and from ∼320 to 285°C for the prograde and retrograde skarn stages, respectively. Thus, late-stage cooling is proposed as the major controlling factor for sulfide mineral precipitation. Fluid salinities for both stages are very low (< 3 % eq. w[NaCl]) and all observed fluid inclusion assemblages show homogeneous liquid-vapor ratios. Formation pressures >25 MPa suggest a minimum depth of formation of approximately 3 km. Oxygen fugacity during prograde skarn formation was initially low and increased towards the late prograde stage. The late-Variscan Eibenstock granite is identified as the most likely source of the skarn-forming fluids. The recognition of the Waschleithe skarn as a distal Zn skarn has major implications for the understanding of the Schwarzenberg District mineral system and provides valuable information for exploration targeting.

Short presentation on the importance of mining and raw materials for society.

There is a general lack of reliable quantitative data on the mineralogy and spatial distribution of indium and other by-product metals in ore deposits. This contribution showcases a new approach to integrate by-product metals into geometallurgical assessments. As an example, it uses the distribution and deportment of indium at Neves-Corvo, a major European base-metal mine (Cu + Zn). This study is the first to develop a quantitative model of indium deportment in volcanic hosted massive sulfide ores, demonstrating how regularities in indium partitioning between different minerals can be used to predict its mineralogical deportment in individual drill-core samples. Bulk-ore assays of As, Cu, Fe, Pb, S, Sb, Sn, Zn, and In are found to be sufficient for reasonably accurate predictions. The movement of indium through the ore processing plants is well explained by its mineralogical deportment, allowing for specific mine and process planning. The novel methodologies implemented in this contribution should be of general applicability to the geometallurgical assessment of many other byproduct metals in polymetallic sulfide ores, including Ga, Ge, Mo, Re, Se, Te, as well as the noble metals.

Fine-grained residues of ore processing, known as tailings, are an inevitable product of metal production. Such tailings are typically stored in dedicated Tailings Storage Facilities (TSF). The sedimentary-style deposition of tailings within the TSF results in a structure of sub-horizontal, internally graded layers which heterogeneously concentrate the minerals comprising the residues. Primary depositional structures may be overprinted by subsequent chemical redistribution of minerals and elements during chemical reactions and metal mobilisation. Sulphidic tailings are problematic in terms of the potential for generation of Acid and Metalliferous Drainage, while providing interesting prospects for extraction of recoverable metals. However, efforts to build accurate and reproducible geospatial models of TSFs are hampered by a lack of understanding of how to sample heterogeneous tailings materials in a way that allows the effective characterisation of both the horizontal and vertical variability. This study introduces a sampling protocol for the resource characterisation of TSFs, following the Theory of Sampling. The Davidschacht TSF in Freiberg, Germany, was used as a case study. The Davidschacht TSF was deposited between 1944 and 1969; it contains around 760,000 m3 of Cu-Zn-Pb sulphidic flotation residues originating from the processing of polymetallic hydrothermal vein ores of the Freiberg mining district. A historical drilling campaign of 10 drill holes through the whole depth of the tailings provided a basis for the study. A second drilling campaign of 68 drill holes to a depth of 3 m was carried out on a 30 m grid, and nested grids of 15 m and 7.5 m in the centre of the TSF. The drill cores were logged and a bulk sample was collected for each 1 m section. Representative samples, with 10% randomly selected for duplication, will be analysed with X-Ray Fluorescence for chemical composition and sieving and laser diffraction for particle size distribution. The modal mineralogy, mineral associations and mineral liberation of selected samples will be assessed with the Scanning Electron Microscope-based Mineral Liberation Analyser. A detailed geospatial model of the surface zone of the tailings will be constructed to assess the intrinsic horizontal variability of the TSF. Comparison with the 3D model produced by the previous deep drilling campaign will determine if the sampling and modelling was sufficient to account for the variability of the tailings.

Drill core samples have been traditionally used by the mining industry to make resource estimations and to build geological models. The hyperspectral drill core scanning has become a popular tool in mineral exploration because it provides a non-destructive method to rapidly characterise structural features, alteration patterns and rock mineralogy in a cost effective way.
Typically, the hyperspectral sensors cover a wide spectral range from visible and near- infrared (VNIR) to short and long wave infrared (SWIR and LWIR). The spectral features in this range will help to characterize a large number of mineral phases and complement the traditional core logging techniques. The hyperspectral core scanning provide mineralogical information in a millimetre scale for the entire borehole, which fills the gap between the microscopic scale of some of the laboratory analytical methods or the sparse chemical assays and the meter scale from the lithological descriptions.
However, applying this technique to the core samples of an entire ore deposit results in big datasets. Therefore, there is the need of a workflow to build a 3D geological model conditioned by the data with suitable data reduction methods and appropriate interpolation techniques.
This contribution presents a case study in the combination of traditional core logging and hyperspectral core logging for geological modelling. To attain mineral and alteration maps from the hyperspectral data unsupervised classification techniques were applied generating a categorical data set. The amount of data was reduced by the application of a domain generation algorithm based on the hyperspectral information. The domain generated by the algorithm is a compositional categorical data set that was then fed to condition the application of stochastic Plurigaussian simulations in the construction of 3D models of geological domains. This technique allows to simulate the spatial distribution of the hyperspectral derived categories, to make a resource estimation and to calculate its associated uncertainty.

Over the past two decades, the advent of cheap LA-ICP-MS analyses has led to a veritable explosion of mineral trace-element data. However, this has not been accompanied by a commensurate increase in understanding of the geological factors that control mineral compositions. Thus, the great potential of this data to address problems in (economic) geology has remained largely untapped.
In this talk, I will briefly review the state-of-the-art for hydrothermal sulfide minerals. Following on from this, I will discuss a number of research questions that will need to be addressed to fully realize their potential in constraining the physical and chemical conditions of ore-formation.

Here, in-situ Helium Ion Microscopy (HIM) has been used to electrically characterize single layer MoS 2 field effect transistors. These devices have been fabricated via chemical vapor deposition (CVD) and transferred onto SiO 2 /Si(p ++ ) chips for EBL contacting and further characterization. The oxide thickness is in the range of 200 nm to 300 nm.

Ultra-high intensity femtosecond lasers have now become excellent scientific tools for the study of extreme material states in small-scale laboratory settings. The invention of chirped-pulse amplification (CPA) combined with titanium-doped sapphire (Ti:sapphire) crystals have enabled realization of such lasers. The pursuit of ultra-high intensity science and applications is driving worldwide development of new capabilities. A petawatt (PW = 1015 W), femtosecond (fs = 10−15 s), repetitive (0.1 Hz), high beam quality J-KAREN-P (Japan Kansai Advanced Relativistic ENgineering Petawatt) Ti:sapphire CPA laser has been recently constructed and used for accelerating charged particles (ions and electrons) and generating coherent and incoherent ultra-short-pulse, high-energy photon (X-ray) radiation. Ultra-high intensities of 1022 W/cm2 with high temporal contrast of 10−12 and a minimal number of pre-pulses on target has been demonstrated with the J-KAREN-P laser. Here, worldwide ultra-high intensity laser development is summarized, the output performance and spatiotemporal quality improvement of the J-KAREN-P laser are described, and some experimental results are briefly introduced.

High power laser systems are an attractive driver for compact energetic ion sources. We demonstrate repetitive
acceleration at 0.1 Hz of proton beams up to 40 MeV from a reeled tape target irradiated by ultra-high intensities
up to 5 × 1021 Wcm 2 and laser energies ≈ 15 J using the J-KAREN-P laser system. We investigate the stability
of the source and its behaviour with laser spot focal size. We compare the scaling of proton energy with laser
energy to a recently developed analytical model, and also demonstrate that it is possible to reach energies up to
50 MeV on a single shot with a lower laser energy ≈ 10 J by using a thinner target, motivating development of
high repetition targetry suitable for thinner targets.

Motivated by the development of next-generation heavy-ion sources, we have investigated the ionization and acceleration dynamics of an ultraintense laser-driven high-Z silver target, experimentally, numerically, and analytically. Using a novel ion measurement technique allowing us to uniquely identify silver ions, we experimentally demonstrate generation of highly charged silver ions (Z= 45+2−2 ) with energies of >20 MeV/nucleon (>2.2 GeV) from submicron silver targets driven by a laser with intensity 5 × 1021 W/cm 2 , with increasing ion energy and charge state for decreasing target thickness. We show that although target pre-expansion by the unavoidable rising edge of state-of-the-art high-power lasers can limit proton energies, it is advantageous for heavy-ion acceleration. Two-dimensional particle-in-cell simulations show that the Joule heating in the target bulk results in a high temperature (∼10 keV) solid density plasma, leading to the generation of high flux highly charged ions (Z= 40−2 +2, 10 MeV/nucleon) via electron collisional ionization, which are extracted and accelerated with a small divergence by an extreme sheath field at the target rear. However, with reduced target thickness this favorable acceleration is degraded due to the target deformation via laser hole boring, which accompanies higher energy ions with higher charge states but in an uncontrollable manner.
Our elucidation of the fundamental processes of high-intensity laser-driven ionization and ion acceleration provides a path for improving the control and parameters of laser-driven heavy-ion sources, a key component for next-generation heavy-ion accelerators.

Two-dimensional conjugated covalent organic frameworks (2D c-COFs) are emerging as a unique class of semiconducting 2D conjugated polymers for (opto)electronics and energy storage. Doping is one of the common, reliable strategies to control the charge carrier transport properties, but the precise mechanism underlying COF doping has remained largely unexplored. Here we demonstrate molecular iodine doping of a metal−phthalocyanine-based pyrazine-linked 2D c-COF. The resultant 2D c-COF ZnPc-pz-I2 maintains its structural integrity and displays enhanced conductivity by 3 orders of magnitude, which is the result of elevated carrier concentrations. Remarkably, Hall effect measurements reveal enhanced carrier mobility reaching ∼22 cm2 V−1 s−1 for ZnPc-pz-I2, which represents a record value for 2D c-COFs in both the direct-current and alternatingcurrent limits. This unique transport phenomenon with largely increased mobility upon doping can be traced to increased scattering time for free charge carriers, indicating that scattering mechanisms limiting the mobility are mitigated by doping. Our work provides a guideline on how to assess doping effects in COFs and highlights the potential of 2D c-COFs to display high conductivities and mobilities toward novel (opto)electronic devices.

Objective
Quantitative MRI (qMRI) methods provide versatile neuroradiological applications and are a hot topic in research. The degree of their clinical implementation is however barely known. This survey was created to illuminate which and how qMRI techniques are currently applied across Europe.

Methods
In total, 4753 neuroradiologists from 27 countries received an online questionnaire. Demographic and professional data, experience with qMRI techniques in the brain and head and neck, usage, reasons for/against application, and knowledge of the QIBA and EIBALL initiatives were assessed.

Results
Two hundred seventy-two responders in 23 countries used the following techniques clinically (mean values in %): DWI (82.0%, n = 223), DSC (67.3%, n = 183), MRS (64.3%, n = 175), DCE (43.4%, n = 118), BOLD-fMRI (42.6%, n = 116), ASL (37.5%, n = 102), fat quantification (25.0%, n = 68), T2 mapping (16.9%, n = 46), T1 mapping (15.1%, n = 41), PET-MRI (11.8%, n = 32), IVIM (5.5%, n = 15), APT-CEST (4.8%, n = 13), and DKI (3.3%, n = 9). The most frequent usage indications for any qMRI technique were tissue differentiation (82.4%, n = 224) and oncological monitoring (72.8%, n = 198). Usage differed between countries, e.g. ASL: Germany (n = 13/63; 20.6%) vs. France (n = 31/40; 77.5%). Neuroradiologists endorsed the use of qMRI because of an improved diagnostic accuracy (89.3%, n = 243), but 50.0% (n = 136) are in need of better technology, 34.9% (n = 95) wish for more communication, and 31.3% need help with result interpretation/generation (n = 85). QIBA and EIBALL were not well known (12.5%, n = 34, and 11.0%, n = 30).

Conclusions
The clinical implementation of qMRI methods is highly variable. Beyond the aspect of readiness for clinical use, better availability of support and a wider dissemination of guidelines could catalyse a broader implementation.

The phenomenon of magnetic resonance and its detection via microwave spectroscopy provide direct insight into the magnetization dynamics of bulk or thin film materials. This allows for direct access to fundamental properties, such as the effective magnetization, g-factor, magnetic anisotropy and the various damping (relaxation) channels that govern the decay of magnetic excitations. Cavity-based and broadband ferromagnetic resonance techniques that detect the microwave absorption of spin systems require a minimum magnetic volume to obtain a sufficient signal-to-noise ratio (S/N). Therefore, conventional techniques typically do not offer the sensitivity to detect individual micro- or nanostructures. A solution to this sensitivity problem is the so-called planar microresonator, which is able to detect even the tiniest absorption signals of magnetic nanostructures, including spin-wave or edge resonance modes. As an example, we describe the microresonator-based detection of spin-wave modes within microscopic strips of ferromagnetic A2 Fe60Al40 that are imprinted into a paramagnetic B2 Fe60Al40-matrix via focused ion-beam irradiation. While microresonators operate at a fixed microwave frequency, a reliable quantification of the key magnetic parameters like the g-factor or spin relaxation times requires investigations within a broad range of frequencies. In this study, we introduce and describe the step from microresonators towards a broadband microantenna approach. It allows for performing broadband magnetic resonance experiments on single nanostructured magnetic objects in a frequency range of 2-18 GHz. We employ this detection scheme to explore the influence of lateral structuring on the magnetization dynamics of a Permalloy strip.

The ferrimagnetic spinel MnCr₂S₄ shows a variety of magnetic-field-induced phase transitions owing to bond frustration and strong spin-lattice coupling. However, the site-resolved magnetic properties at the respective field-induced phases in high magnetic fields remain elusive. Our soft x-ray magnetic circular dichroism studies up to 40 T directly evidence element-selective magnetic-moment reorientations in the field-induced phases. The complex magnetic structures are further supported by entropy changes extracted from magnetocaloric-effect measurements. Moreover, thermodynamic experiments reveal an unusual tetracritical point in the H-T phase diagram of MnCr₂S₄ due to strong spin-lattice coupling.

In this work, we perform a comparative study of the magnetization behavior of four series of compounds R₂Fe₁₄B and their hydrides R₂Fe₁₄BH_5.5, and the compositions (Nd_0.5R_0.5)₂Fe₁₄B and their hydrides (Nd_0.5R´_0.5)₂Fe₁₄BH_5.5 with R and R´ = Ho, Er, and Tm. The magnetization is measured in pulsed magnetic fields up to 58 T and in megagauss fields up to 135 T at 5 K. The first and second critical fields of the field-induced transitions, H_c1 and H_c2 were estimated analytically and the results were verified against experimental data. We find that hydrogenation of R₂Fe₁₄B and (Nd_0.5R´_0.5)₂Fe₁₄B reduces drastically the H_c1 and H_c2 values and, as a consequence, the intersublattice R–Fe exchange interaction parameter λ.

Live in situ visualization of numerical simulations–interactive visualization while the simulation is running–can enable new modes of interaction, including computational steering. Designing easy-to-use distributed in situ architectures, with viewing latency low enough, and frame rate high enough, for interactive use, is challenging. Here, we propose a fully asynchronous, hybrid CPU–GPU in situ architecture that emphasizes interactivity. We also present a transparent implementation of this architecture embedded into the OpenFPM simulation framework. The benchmarks show that our architecture minimizes visual latencies, and achieves frame rates between 6 and 60 frames/second–depending on simulation data size and degree of parallelism–by changing only a few lines of an existing simulation code.

Quantification of neuronal morphology is essential for understanding neuronal connectivity and many software tools have been developed for neuronal reconstruction and morphometry. However, such tools remain domain-specific, tethered to specific imaging modalities, and were not designed to accommodate the rich metadata generated by recent whole-brain cellular connectomics. To address these limitations, we created SNT: a unifying framework for neuronal morphometry and analysis of single-cell connectomics for the widely used Fiji and ImageJ platforms. We demonstrate that SNT can be used to tackle important problems in contemporary neuroscience, validate its utility, and illustrate how it establishes an end-to-end platform for tracing, proof-editing, visualization, quantification, and modeling of neuroanatomy. With an open and scriptable architecture, a large user base, and thorough community-based documentation, SNT is an accessible and scalable resource for the broad neuroscience community that synergizes well with existing software.

Gallium is a Group IIIa metal and its recovery from wastewaters has become increasingly important for its reuse. The use of peptides for recycling offers a low-cost and environmentally-friendly option but the structural characteristics of peptides likely to bind Gallium are largely unknown. Multiple computational methods, coupled with experimental verification via NMR and Isothermal Calorimetry (ITC), were used to establish that gallium binds with high affinity to peptide sequences and to elucidate the structural characteristics that contributed. It was demonstrated that peptide pre-organisation is key to gallium binding and that a favourable binding position is necessarily governed by the size and shape of the electrostatic environment as much as individual electrostatic interactions with peptide residues themselves. Given favourable conditions, gallium retrieved plausible binding positions involving both charged and uncharged residues that greatly increases the range of bonding possibilities with other peptide sequences and offers insights for binding other metals. The addition of pH buffer substantially improved the affinity of gallium and a structural role for a buffer component was demonstrated.

The description of electronic exchange--correlation effects is of paramount importance for many applications in physics, chemistry, and beyond. In a recent Letter, Dornheim \textit{et al.} [\textit{Phys. Rev. Lett.}~\textbf{125}, 235001 (2020)] have presented the \emph{effective static approximation} (ESA) to the local field correction (LFC), which allows for the highly accurate estimation of electronic properties such as the interaction energy and the static structure factor. In the present work, we give an analytical parametrization of the LFC within ESA that is valid for any wave number, and available for the entire range of densities (0.7≤rs≤20) and temperatures (0≤θ≤4) that are relevant for applications both in the ground state and in the warm dense matter regime. A short implementation in Python is provided, which can easily be incorporated into existing codes.
In addition, we present an extensive analysis of the performance of ESA regarding the estimation of various quantities like the dynamic structure factor S(q,ω), static dielectric function ϵ(q), the electronically screened ion-potential Φ(r), and also stopping power in electronic medium. In summary, we find that the ESA gives an excellent description of all these quantities in the warm dense matter regime, and only becomes inaccurate when the electrons start to form a strongly correlated electron liquid (rs∼20). Moreover, we note that the exact incorporation of exact asymptotic limits often leads to a superior accuracy compared to the neural-net representation of the static LFC [\textit{J.~Chem.~Phys.}~\textbf{151}, 194104 (2019)].

This bachelor thesis studies the reduction of Tc(VII) to Tc(IV) by Mn²⁺ and Sn²⁺ when they are sorbed on the surface of alumina nanoparticles (heteroreduction). Several experimental approaches have been carried out to analyse the heteroreduction of Tc(VII) as a function of pH and ionic strength. It was shown that Tc(VII) heteroreduction is quantitative (100% of Tc is removed) when using Sn sorbed on alumina, whereas a maximum of 25% of Tc(VII) is uptaken when using Mn sorbed on alumina.

Polydispersity is a challenging feature of many industrial and environmental multiphase flows, influencing all related transfer and transport processes. Besides their size, the fluid or solid particles may be distributed with respect to other properties such as their velocity or shape. Here, a population balance model based on the method of classes is combined with a multifluid solver within the open source Computational Fluid Dynamics library OpenFOAM. The model allows for tracking the evolution of one or more size-conditioned secondary properties. It is applied to two different problems, the first being bubbly flow of air and water in a vertical pipe, where considering the velocity as a secondary property allows to resolve the size-dependent radial segregation. The second application is the gas phase synthesis of titania powder, where non-spherical particle aggregates appear whose shape is modeled through a collision diameter, leading to an improved prediction of the size distribution.

An emerging field of curvilinear magnetizm brings about new geometry-induced phenomena in usual magnetic materials, balancing between fundamental research, material sciences and technologies [1]. Modern technological advances allow to consider antiferromagnets (AFMs) as promising building blocks for spintronic and spin-orbitronic applications [2]. In this respect, curvilinear spin chains with AFM coupling are of fundamental interest as simplest systems possessing interplay between geometry and magnetic subsystem.
Here, we analyze the ground states of AFM ring with the nearest-neighbour Heisenberg exchange and strong single-ion anisotropy in the presence of external magnetic field, which is normal to the ring plane. We consider collinear two-sublattice 1D curved AFM spin chain with even number of spins. The hard axis of anisotropy is oriented tangentially to the chain. Within the classical continuum approach [3], its magnetic state is determined by the vector fields of Néel and ferromagnetism. In the ground state, the Néel vector is oriented perpendicularly to the ring plane (binormal state, see Fig.1) [3,4]. The magnetic field applied along the ring normal allows to observe spin-flop and spin-flip orientational phase transitions. We determine the dependency of spin-flop and spin-flip transition fields on the ring curvature. There is a critical curvature (κc), separating two topologically different ground states above spin-flop. The first one with the Néel order parameter within the normal plane is mainly determined by the anisotropy at small curvatures (normal state, see Fig.1). The second ground state at large curvatures is represented by oninon ordering of the Néel vector (onion state, see Fig.1). With the applied fields h>h0, Néel order parameter vanishes (ferromagnetic state). The phase diagram of AFM as a function of applied field intensity is presented in Fig.1: all analytical predictions are well-confirmed by the SLaSi spin-lattice simulations [5].

1] E.Vedmedenko et al, Journal of Physics D: Applied Physics 53, 453001(2020).
[2] V. Baltz et al, Reviews of Modern Physics 90, 015005 (2018)
[3] O. V. Pylypovskyi et al, Nano Letters 20, 8157 (2020)
[4] S. Castillo-Sepulveda et al, Physical Review B 96, 024426 (2017)
[5] [SLaSi spin–lattice simulations package]

Resection of tumor tissue represents one of the standard curative treatment options for the clinical management of prostate cancer. However, intraoperative localization and precise delineation of malignant tissue from surrounding healthy structures still remain challenging. The development of PSMA-targeting hybrid molecules enabling the pre- and intraoperative detection of tumor tissue supported by both radioactivity (e.g., using DROP-IN technology) and fluorescence might help to overcome these limitations. Here, we report for the first time preoperative PET/CT imaging and subsequent fluorescence-guided surgery aided by a PSMA-11-derived peptidomimetic PSMA-targeting hybrid molecule.

Telemedicine used to be slow, difficult, expensive and widely neglected by doctors and patients. COVID-19 changed everything; telemedicine is entering a period of rapid economic and business growth. This paper discusses the reasons for change in telemedicine over the last 20 years, through real-life medical technology projects, telemetry, ehealth and health IT. Our methods are based on the analysis of telemedicine projects we have implemented and characteristic historical data. The results of our investigation demonstrate a clear increase of significance in telemedicine in the present and near future. We envision the evolution of mobile phones to personal telehealth monitors. Prior to COVID-19, market penetration and economic factors of telemedicine evolved slowly and in an uneven manner on a global scale. Many of the projects remained active only as long as the grant or corporate or national support was provided. The age of novel globally spreading infectious diseases, exemplified by COVID-19, has created an unusual, different setting. Recent pandemics and epidemics have changed global economics significantly and generated a new motivation and a new market with a projected trillion- dollar market value. Post COVID-19, regular and periodic epidemics and pandemics are expected to continue to occur. This will generate an enormous global market for isolated high-tech services, including telemedicine and telemetry.

Cellular surface recognition and behavior are driven by a host of physical and chemical features which have been exploited to influence particle–cell interactions. Mechanical and topographical cues define the physical milieu which plays an important role in defining a range of cellular activities such as material recognition, adhesion, and migration through cytoskeletal organization and signaling. In order to elucidate the effect of local mechanical and topographical features generated by the adsorption of particles to an underlying surface on primary human monocyte‐derived macrophages (MDM), a series of poly(N‐isopropylacrylamide) (pNIPAM) particles with differing rigidity are self‐assembled to form a defined particle‐decorated surface. Assembly of particle‐decorated surfaces is facilitated by modification of the underlying glass to possess a positive charge through functionalization using 3‐aminopropyltriethoxysilane (APTES) or coating with poly(L‐lysine) (PLL). MDMs are noted to preferentially remove particles with higher degrees of crosslinking (stiffer) than those with lower degrees of crosslinking (softer). Alterations to the surface density of particles enabled a greater area of the particle‐decorated surface to be cleared. Uniquely, the impact of particle adsorption is evinced to have a direct impact on topographical recognition of the surface, suggesting a novel approach for controllably affecting cell‐surface recognition and response.

The B-site ordered double perovskites Sr₂Cu(Te_1−xW_x)O₆ provide an excellent arena for investigating exotic phases expected for the J₁-J₂ square-lattice Heisenberg antiferromagnet. Here, combining magnetic susceptibility and specific-heat measurements with electron spin resonance (ESR) and muon spin rotation/relaxation (μSR) techniques, we explore a spin-liquid-like state in the vicinity of the Néel critical end point (x = 0.05–0.1). The specific heat and the ESR and muon relaxation rates give evidence for an energy hierarchy of low-energy excitations, reminiscent of randomness-induced singlet states. In addition, the weak transverse μSR data show a fraction of frozen magnetic moments in the random-singlet background. The origin of a random-singlet-like state near the phase boundary is discussed in terms of concomitant exchange randomness and local strain generated by the W⁶⁺-for-Te⁶⁺ substitution.

We report on the low-energy dynamics in the kagome antiferromagnet CaCu₃(OD)₆Cl₂·0.6D₂O (Ca-kapellasite) as studied by use of ²D-NMR measurements. Previous ³⁵Cl-NMR measurements revealed that the nuclear spin–lattice relaxation rate (1/T₁) shows two peaks at temperatures, T* = 7.2 K and T_s ≃ 25 K. While the low-temperature peak at T* is ascribed to the critical fluctuations near the long-range magnetic ordering, the origin of the high-temperature peak has not been fully understood. From the 1/T₁ measurements on the D sites at the OD groups (D_OD), we find no peak at T_s, evidencing that the high-temperature peak is not related to the molecular dynamics of the OD groups. We discuss the possibility of a frustration-induced short-range ordered state below T_s before the long-range order is stabilized by the Dzyaloshinskii–Moriya interaction. We also observed static internal fields at the DOD site in the long-range ordered state below T*, and confirm the previously proposed negative-chirality q = 0 magnetic structure.

In the research article of EBioMedicine [1], Fjeldbo and colleagues developed a combined biomarker based on hypoxic fraction from dynamic contrast enhanced (DCE)-MRI imaging and genetic data of cervical cancer. They were able to predict the response to radiochemotherapy of these patients. The patients were divided into groups less or more hypoxic, based on a previously defines cut-off for the gene-based biomarkers (6 hypoxia-related genes) [2]. In the same group of 41 patients, a cut-off for the imaging biomarker was newly assessed by analyzing DCE-MRI data and using ABrix-images as parameter for the hypoxic fraction. In the next step these cut-offs were validated in 77 patients and subsequently a combined hypoxic biomarker was generated. The combination of the biomarkers revealed the same hypoxic status in 75% of the 118 patients. Therefore, besides the more and less hypoxic group, a third group with different hypoxia status was constituted.

Rare Earth Magnets (REM), especially the NdFeB type, are essential components in high-performance electric motors and wind turbines, playing an important role in the shift towards a low-carbon energy matrix. However, little work has been done to understand how the production of REM can be in line with the global sustainable transition. To overcome this lack and help with future research, as well as decision-making, this paper provides a literature overview of which aspects of sustainability are being investigated in the REM supply chain, and how each of them contributes to achieving Sustainable Development Goals (SDG). This research is developed through a consistent analysis of 44 peer-reviewed publications, followed by an analysis of strengths, weaknesses, opportunities, and threats. Four main subjects of studies were identified: environmental impact; social impact; economic aspects and circular economy. Most of the studies focus on computing the environmental impact through life cycle assessment and discussing techniques towards exploring the circular economy concept. In addition to contributing to a greener economy, the majors identified strengths of REM are the great potential of its supply chain in reducing primary resource extraction, since REM recovery and recycling seem to be viable, and the promising techniques to minimize environmental impacts along the rare earth elements production chain.

Purpose: To report on experimental results of a high spatial resolution silicon-based detector exposed to therapeutic quality proton beams in a 0.95 T transverse magnetic field. These experimental results are important for the development of accurate and novel dosimetry methods in future potential real-time MRI-guided proton therapy systems.
Methods: A permanent magnet device was utilized to generate a 0.95 T magnetic field over a 4 9 20 9 15 cm3 volume. Within this volume, a high-resolution silicon diode array detector was positioned inside a PMMA phantom of 4 9 15 9 12 cm3. This detector contains two orthogonal strips containing 505 sensitive volumes spaced at 0.2 mm apart. Proton beams collimated to a circle of 10 mm diameter with nominal energies of 90 MeV, 110 MeV, and 125 MeV were incident on the detector from an edge-on orientation. This allows for a measurement of the Bragg peak at 0.2 mm spatial resolution in both the depth and lateral profile directions. The impact of the magnetic field on the proton beams, that is, a small deflection was also investigated. A Geant4 Monte Carlo simulation was performed of the experimental setup to aid in interpretation of the results.
Results: The nominal Bragg peak for each proton energy was successfully observed with a 0.2 mm spatial resolution in the 0.95 T transverse magnetic field in both a depth and lateral profiles. The proton beam deflection (at 0.95 T) was a consistent 2 +-0.5 mm at the center of the magnetic volume for each beam energy. However, a pristine Bragg peak was not observed for each energy. This was caused by the detector packaging having small air gaps between layers of the phantom material surrounding the diode array. These air gaps act to degrade the shape of the Bragg peak, and further to this, the nonwater equivalent silicon chip acts to separate the Bragg peak into multiple peaks depending on the proton path taken. Overall, a promising performance of the silicon detector array was observed, however, with a qualitative assessment rather than a robust quantitative dosimetric evaluation at this stage of development.
Conclusions: For the first time, a high-resolution silicon-based radiation detector has been used to measure proton beam Bragg peak deflections in a phantom due to a strong magnetic field. Future efforts are required to optimize the detector packaging to strengthen the robustness of the dosimetric quantities obtained from the detector. Such high-resolution silicon diode arrays may be useful in future efforts in MRI-guided proton therapy research.

This pandemic is an imposition! We all are exhausted by repeated discussions on the current situation. Would like to be “back to normal”—whatever that might be—very soon.
Unfortunately, this is still a dream and we are in the middle of the corona reality. Almost forgotten: the initial panic that radiooncology could no longer operate according to law under pandemic conditions was quickly and effectively countered by an unprecedented concerted response from the authorities.
Then we had all these practical questions: How to deal with potentially limited personnel resources? How to treat potentially infected patients in routine care? To this end, at a very early stage, the German Society for Radiooncology (DEGRO), together with the Working Group for Radiooncology (ARO) of the German Cancer Society and the National Association of German Radiotherapists (BVDST), compiled two helpful statements and recommendations [1–3].
At a previously unimagined speed, we then dealt with hygiene concepts, made friends with hypofractionation, optimized our workflow, discussed home office solutions, formed staff groups, and reorganized the aftercare outpatient clinics. In their interesting survey in this issue, Matuschek et al. report on how well all this has worked out [4]. Overall, in Germany, only a relatively small number of COVID-positive patients have had to be treated by radiotherapy so far. We will see how the situation will develop during the remainder of this year. At least we are very well prepared—both with concepts and organizational skills—for higher infection rates.

Altered expression of miRNAs in tumor tissue encourages the translation of this specific molecular pattern into clinical practice. However, the establishment of a selective biomarker signature for many tumor types remains an inextricable challenge. For this purpose, a preclinical experimental design, which could maintain a fast and sensitive discovery of potential biomarkers, is in demand.
The present study suggests that the approach of 3D cell cultures as a preclinical cancer model that is characterized to mimic a natural tumor environment maintained in solid tumors could successfully be employed for the biomarker discovery and validation. Subsequently, in this study, we investigated an environment-dependent miRNA expression changes in colorectal adenocarcinoma DLD1 and HT29 cell lines using next-generation sequencing (NGS) technology. We detected a subset of 16 miRNAs differentially expressed in both cell lines cultivated in multicellular spheroids compared to expression levels in cells grown in 2D. Furthermore, results of in silico miRNA target analysis showed that miRNAs, which were differentially expressed in both cell lines grown in MCS, are involved in the regulation of molecular mechanisms implicated in cell adhesion, cell-ECM interaction, and gap junction pathways. In addition, integrins and platelet-derived growth factor receptors were determined to be the most significant target genes of deregulated miRNAs, which was concordant with the environment-dependent gene expression changes validated by RT-qPCR. Our results revealed that 3D microenvironment-dependent deregulation of miRNA expression in CRC cells potentially triggers essential molecular mechanisms predominantly including the regulation of cell adhesion, cell–cell, and cell–ECM interactions important in CRC initiation and development. Finally, we demonstrated increased levels of selected miR-142-5p in rectum tumor tissue samples after neoadjuvant long course treatment compared to miR-142-5p expression levels in tumor biopsy samples collected before the therapy. Remarkably, the elevation of miR-142-5p expression remained in tumor samples compared to adjacent normal rectum tissue as well. Therefore, the current study provides valuable insights into the molecular miRNA machinery of CRC and proposes a potential miRNA signature for the assessment of CRC in further clinical research.

This article compares the expression and applicability of biomarkers, from single genes and gene signatures, identified in patients with locally advanced head and neck squamous cell carcinoma using the GeneChip Human Transcriptome Array 2.0, nCounter, and real-time PCR analyses. Two multicenter, retrospective cohorts of patients with head and neck squamous cell carcinoma from the German Cancer Consortium Radiation Oncology Group who received postoperative radiochemotherapy or primary radiochemotherapy were considered. Real-time PCR was performed for a limited number of 38 genes of the cohort who received postoperative radiochemotherapy only. Correlations between the methods were evaluated by the Spearman rank correlation coefficient. Patients were stratified based on the expression of putative cancer stem cell markers, hypoxia-associated gene signatures, and a previously developed seven-gene signature. Locoregional tumor control was compared between these patient subgroups using log-rank tests. Gene expressions obtained from nCounter analyses were moderately correlated to GeneChip analyses (median r Z approximately 0.68). A higher correlation was obtained between nCounter analyses and real-time PCR (median r Z 0.84). Significant associations with locoregional tumor control were observed for most of the considered biomarkers evaluated by GeneChip and nCounter analyses. In general, all applied biomarkers (single genes and gene signatures) classified approximately 70% to 85% of the patients similarly. Overall, gene signatures seem to be more robust and had a better transferability among different measurement methods.

In search of new biomarkers suitable for the diagnosis and treatment of prostate cancer, genome-wide transcriptome sequencing was carried out with tissue specimens from 40 prostate cancer (PCa) and 8 benign prostate hyperplasia patients. We identified two intergenic long non-coding transcripts, located in close genomic proximity, which are highly expressed in PCa. Microarray studies on a larger cohort comprising 155 patients showed a profound diagnostic potential of these transcripts (AUC~0.94), which we designated as tumor associated prostate cancer increased lncRNA (TAPIR-1 and -2). To test their therapeutic potential, knockdown experiments with siRNA were carried out. The knockdown caused an increase in the p53/TP53 tumor suppressor protein level followed by downregulation of a large number of cell cycle- and DNA-damage repair key regulators. Furthermore, in radiation therapy resistant tumor cells, the knockdown leads to a renewed sensitization of these cells to radiation treatment. Accordingly, in a preclinical PCa xenograft model in mice, the systemic application of nanoparticles loaded with siRNA targeting TAPIR-1 significantly reduced tumor growth. These findings point to a crucial role of TAPIR-1 and -2 in PCa.

Knowledge of the physiological and pathological processes taking place in bone during fracture healing or defect regeneration is essential in order to develop strategies to enhance bone healing under normal and critical conditions. Preclinical testing allows a wide range of imaging modalities that may be applied both simultaneously and longitudinally which will in turn lower the number of animals needed to allow a comprehensive assessment of the healing process. This work provides an up-to-date review on morphological, functional, optical, biochemical and biophysical imaging techniques including their advantages, disadvantages, and potential for combination of different modalities. The focus lies on preclinical testing of biomaterials modified with artificial extracellular matrices (aECM) in various animal models to enhance bone remodeling and regeneration.

We present a detailed ³¹P nuclear magnetic resonance (NMR) study of the molecular rotation in the compound Cu(pz)₂(2-HOpy) theory quantifies the related activation energies as E_a/k_B = 250 and 1400 K. Further, the anisotropy of the second spectral moment of the ³¹P absorption line was calculated for the rigid lattice, as well as in the presence of several sets of PF₆ reorientation modes, and is in excellent agreement with the experimental data. Whereas the anisotropy of the frequency shift and enhancement of nuclear spinrelaxation rates is driven by the molecular rotation with respect to the dipole fields stemming from the Cu ions, the second spectral moment is determined by the intramolecular interaction of nuclear ¹⁹F and ³¹P moments in the presence of the distinct rotation modes.

ZnO thin films were deposited by RF-magnetron sputtering of ZnO powder target using pure argon and argon with methane as reactive gas. It is found that growth morphology and electronic properties of the films are strongly affected by adding of methane to argon during the deposition process. Adding of methane resulted in a high energy shift of near band edge ultraviolet photoluminescence band and quenching of deep level emission in the visible spectral range. The strongest effect of methane has been found for electrical resistivity that reduced by 3 orders of magnitude in comparison with films deposited in pure argon. Unexpectedly, the analysis of the chemical composition showed no carbon incorporated from methane. Therefore, modification effects were assigned to hydrogen incorporation. However, the direct comparison of resistivity of the films deposited using methane and molecular hydrogen as doping precursors has demonstrated that doping efficiency of the methane is about an order of magnitude larger than that of molecular hydrogen under similar deposition conditions. This advantage of the methane is discussed and assigned to specific surface chemistry of Zn–O–C–H system that enhances the formation of shallow donor defects during plasma assisted deposition process.

Herein, the properties of ZnO:N/n‐SiC heterojunctions (HJs) and light‐emitting diodes based on them are studied. The HJs are grown by molecular beam epitaxy. Active nitrogen generated by a radio frequency plasma source is used for p‐type doping. The location of the space charge area on the ZnO:N/n‐SiC interface is revealed by electron‐beam‐induced current (EBIC) scans. The diffusion lengths of holes and electrons are calculated. This article presents the characterization of ZnO:N/n‐SiC HJs and reveals the presence of tunneling‐related current transport in them as well as the contribution of exponentially distributed traps at large voltage bias. Electroluminescence (EL) is measured at ambient pressure by a standard EL system and also at 77 K in vacuum by a system utilizing EBIC in a scanning electron microscope. Analysis of the light output power at higher current level indicates the limited effect of nonradiative defects in this structure. EL results are compared with cathodoluminescence spectra. Color temperature for HJs based on the EL spectra is also calculated.

The impact of Ta incorporation (up to similar to 21 at.%) in titanium dioxide (TiO2) films subjected to post-deposition millisecond-range flash-lamp annealing (FLA) is addressed. Phase formation with short-range information was established by means of soft X-ray absorption near-edge structure (XANES) in combination with standard X-ray diffraction. As-grown films are X-ray amorphous, but display a significant structural improvement upon FLA. Up to relatively large Ta concentrations (similar to 12 at.%), FLA can be used to effectively incorporate Ta into a nano-crystalline anatase TiO2 phase, although its structural quality deteriorates progressively with the Ta content. For the intermediate Ta range between 12 and 17 at.%, the structure of the FLA films is highly disordered, being unable to overcome the initial distorted arrangement. In any case, rutile- or Ta2O5-like environments emerge for low and high contents, respectively. Finally, for the highest Ta content (similar to 21 at.%), the formation of good-quality nanocrystalline Ta2O5 phase occurs after FLA. As assessed by XANES, the structural evolution upon FLA seems to be determined by the initial (amorphous) structure. Lastly, all the samples are highly transparent from the visible to the near-infrared region, and the band-gap can be tailored from similar to 3.2 to similar to 3.8 eV with increasing the amount of incorporated Ta.

Float‐zone (FZ) silicon often has grown‐in defects that are thermally activated in a broad temperature window (≈300–800 °C). These defects cause efficient electron‐hole pair recombination, which deteriorates the bulk minority carrier lifetime and thereby possible photovoltaic conversion efficiencies. Little is known so far about these defects which are possibly Si‐vacancy/nitrogen‐related (VxNy). Herein, it is shown that the defect activation takes place on sub‐second timescales, as does the destruction of the defects at higher temperatures. Complete defect annihilation, however, is not achieved until nitrogen impurities are effused from the wafer, as confirmed by secondary ion mass spectrometry. Hydrogenation experiments reveal the temporary and only partial passivation of recombination centers. In combination with deep‐level transient spectroscopy, at least two possible defect states are revealed, only one of which interacts with H. With the help of density functional theory V1N1‐centers, which induce Si dangling bonds (DBs), are proposed as one possible defect candidate. Such DBs can be passivated by H. The associated formation energy, as well as their sensitivity to light‐induced free carriers, is consistent with the experimental results. These results are anticipated to contribute to a deeper understanding of bulk‐Si defects, which are pivotal for the mitigation of solar cell degradation processes.

In this paper, we present optical, structural and electrical studies of the phenomenon called concentration quenching effect occurring in ZnO doped with Rare Earth (RE) ions. For this purpose, the epitaxial ZnO layers grown by the Atomic Layer Deposition (ALD) are doped by ion implantation with Yb and Er elements with fluencies ranging from 5 × 1013 to 1 × 1016/cm2. In order to activate optically the implanted RE and to remove defects, the post-implantation thermal annealing was performed at 800 °C for 10 min in the O2 atmosphere using a Rapid Thermal Annealing (RTA) system. Two-step processed samples, before and after annealing, were evaluated by Rutherford Backscattering Spectrometry (RBS/c) to investigate the damage build-up process in the ZnO lattice after RE ion bombardment and the lattice site location of RE. The annealed samples were examined using the photoluminescence (PL) spectroscopy and Hall effect measurements. Our studies show that the luminescence quenching effect, as well as the electrical resistivity response to the increased RE concentration, are strongly connected with the threshold of the structural transformation due to defects accumulation. It suggests that during structural transformations the RE-ion centers are sufficiently close together to be able to interact and transfer the excitation energy between each other, increasing ipso facto the probability to lose the excitation energy by non-radiative processes. Moreover, in contrast to the popular belief, that the concentration quenching effect in RE-doped ZnO depends strongly on the kind of RE-doped ion, the presented results do not provide any evidence to support such an assumption.

In this work, a comparison of the microstructure of black and classic reflective aluminum films is provided. The N2 concentration during the magnetron sputtering deposition has a key impact on the growth process and final moth-eye-like morphology of black Al films. The study of films with thickness ~1.5 μm and ~8 μm and fully developed microstructure enabled us to clarify the origin of different optical properties of black and reflective Al. Atomic force microscopy measurements showed high roughnesses for both types of films leading to light scattering from their surface. In the case of black Al, the incident light is absorbed in a fractallike nanoporous surface. Less than 3 % of the intensity in the wavelength range from 190 nm to 1200 nm is reflected. Positronium formation in columnar nanopores with a diameter of 4 – 5 Å was observed by positron annihilation lifetime spectroscopy. The nanoporosity rather than the roughness is the key feature of black films compared to reflective ones.