Electrochemical Synthesis of Zeolite Coatings with Controlled Crystal Polymorphism and Self-Regulating Growth.

Zeolite coatings are studied as molecular sieves for membrane separation, membrane reactors, and chemical sensor applications. They are also studied as anticorrosive films for metals and alloys, antimicrobial and hydrophobic films for heating, ventilation, and air conditioning, and dielectrics for semiconductor applications. Zeolite coatings are synthesized by hydrothermal, ionothermal, and dry-gel conversion approaches, which require high process temperatures and lengthy times (ranging from hours to days).

Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis.

Supported ionic-liquid phase (SILP) technology in a biphasic setting with n-heptane as the transport phase was applied to the Ru-alkylidene-N-heterocyclic carbene (NHC) catalyzed macrocyclization of α,ω-dienes to elucidate the effect of ionic liquid (IL)-film thickness, flow rate as well as substrate and product concentration on macrocyclization efficiency, and Z-selectivity. To understand the molecular-level behavior of the substrates and products at the n-heptane/IL interphase, atomistic molecular dynamics simulations were conducted and correlated with experimental observations. The thickness of the IL layer strongly influences the Z/E ratio of the products in that a thin IL layer favors higher Z/E ratios by confining the catalyst between the pore wall and the liquid-liquid interphase whereas a thick IL layer favors formation of the E-product and Ru-hydride catalyzed isomerization reactions.

Optimal Operation of Cryogenic Calorimeters Through Deep Reinforcement Learning.

Cryogenic phonon detectors with transition-edge sensors achieve the best sensitivity to sub-GeV/c dark matter interactions with nuclei in current direct detection experiments. In such devices, the temperature of the thermometer and the bias current in its readout circuit need careful optimization to achieve optimal detector performance. This task is not trivial and is typically done manually by an expert.

Rare adrenal schwannoma treated with robotic-assisted adrenalectomy: A case report.

Schwannomas are benign neoplasms that arise from peripheral nerve sheaths. Typically found in peripheral nerves of the head, neck, and extremities, these tumors seldom arise in the retroperitoneum. We report the case of a 50-year-old male with a 5 cm right adrenal mass removed via robotic-assisted laparoscopic approach due to concerns for adrenocortical carcinoma, which surgical pathology revealed to be a rare adrenal schwannoma.

Enhancing the the electrical readout of the spin-dependent recombination current in SiC JFETs for EDMR based magnetometry using a tandem (de-)modulation technique.

Electrically detected magnetic resonance (EDMR) is a promising method to readout spins in miniaturized devices utilized as quantum magnetometers. However, the sensitivity has remained challenging. In this study, we present a tandem (de-)modulation technique based on a combination of magnetic field and radio frequency modulation.

Thermal Rearrangement of Thiocarbonyl-Stabilised Triphenylphosphonium Ylides Leading to ()-1-Diphenylphosphino-2-(phenylsulfenyl)alkenes and Their Coordination Chemistry.

While thiocarbonyl-stabilised phosphonium ylides generally react upon flash vacuum pyrolysis by the extrusion of PhPS to give alkynes in an analogous way to their carbonyl-stabilised analogues, two examples with a hydrogen atom on the ylidic carbon are found to undergo a quite different process. The net transfer of a phenyl group from P to S gives ()-configured 1-diphenylphosphino-2-(phenylsulfenyl)alkenes in a novel isomerisation process via intermediate λ-1,2-thiaphosphetes. These prove to be versatile hemilabile ligands with a total of seven complexes prepared involving five different transition metals.

First Dark Matter Search Results from the LUX-ZEPLIN (LZ) Experiment.

The LUX-ZEPLIN experiment is a dark matter detector centered on a dual-phase xenon time projection chamber operating at the Sanford Underground Research Facility in Lead, South Dakota, USA. This Letter reports results from LUX-ZEPLIN's first search for weakly interacting massive particles (WIMPs) with an exposure of 60 live days using a fiducial mass of 5.5 t.

How Large is the Potential of Brain Dead Donors and what Prevents Utilization? A Multicenter Retrospective Analysis at Seven University Hospitals in North Rhine-Westphalia.

Organ donation after brain death is constantly lower in Germany compared to other countries. Instead, representative surveys show a positive attitude towards donation. Why this does not translate into more donations remains questionable.

Towards an automated data cleaning with deep learning in CRESST.

The CRESST experiment employs cryogenic calorimeters for the sensitive measurement of nuclear recoils induced by dark matter particles. The recorded signals need to undergo a careful cleaning process to avoid wrongly reconstructed recoil energies caused by pile-up and read-out artefacts. We frame this process as a time series classification task and propose to automate it with neural networks.

Secular equilibrium assessment in a CaWO target crystal from the dark matter experiment CRESST using Bayesian likelihood normalisation.

CRESST is a leading direct detection sub-GeVc dark matter experiment. During its second phase, cryogenic bolometers were used to detect nuclear recoils off the CaWO target crystal nuclei. The previously established electromagnetic background model relies on Secular Equilibrium (SE) assumptions.

Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange.

Umbrella sampling along a one-dimensional order parameter in combination with Hamiltonian replica exchange was employed to calculate the binding free energy of five guest molecules with known affinity to cucurbit[8]uril. A simple empirical approach correcting for the overestimation of the affinity by the GAFF force field was proposed and subsequently applied to the seven guest molecules of the "Drugs of Abuse" SAMPL8 challenge. Compared to the uncorrected binding free energies, the systematic error decreased but quantitative agreement with experiment was only reached for a few compounds.

AlO co-doped with Cr and Mn, a dual-emitter probe for multimodal non-contact luminescence thermometry.

Luminescence probes that facilitate multimodal non-contact measurements of temperature are of particular interest due to the possibility of cross-referencing results across different readout techniques. This intrinsic referencing is an essential addition that enhances accuracy and reliability of the technique. A further enhancement of sensor performance can be achieved by using two luminescent ions acting as independent emitters, thereby adding in-built redundancy to non-contact temperature sensing, using a single readout technique.

Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors.

Semiconducting polycrystalline thin films are cheap to produce and can be deposited on flexible substrates, yet high-performance electronic devices usually utilize single-crystal semiconductors, owing to their superior charge-carrier mobilities and longer diffusion lengths. Here we show that the electrical performance of polycrystalline films of metal-halide perovskites (MHPs) approaches that of single crystals at room temperature. Combining temperature-dependent terahertz conductivity measurements and ab initio calculations we uncover a complete picture of the origins of charge-carrier scattering in single crystals and polycrystalline films of CHNHPbI.

Multimodal Non-Contact Luminescence Thermometry with Cr-Doped Oxides.

Luminescence methods for non-contact temperature monitoring have evolved through improvements of hardware and sensor materials. Future advances in this field rely on the development of multimodal sensing capabilities of temperature probes and extend the temperature range across which they operate. The family of Cr-doped oxides appears particularly promising and we review their luminescence characteristics in light of their application in non-contact measurements of temperature over the 5-300 K range.

Bright and fast scintillations of an inorganic halide perovskite CsPbBr crystal at cryogenic temperatures.

Highly efficient scintillation crystals with short decay times are indispensable for improving the performance of numerous detection and imaging instruments that use- X-rays, gamma-quanta, ionising particles or neutrons. Halide perovskites emerged recently as very promising materials for detection of ionising radiation that motivated further exploration of the materials. In this work, we report on excellent scintillation properties of CsPbBr crystals when cooled to cryogenic temperatures.

Perdeuterated Conjugated Polymers for Ultralow-Frequency Magnetic Resonance of OLEDs.

The formation of excitons in OLEDs is spin dependent and can be controlled by electron-paramagnetic resonance, affecting device resistance and electroluminescence yield. We explore electrically detected magnetic resonance in the regime of very low magnetic fields (<1 mT). A pronounced feature emerges at zero field in addition to the conventional spin- Zeeman resonance for which the Larmor frequency matches that of the incident radiation.

Geant4-based electromagnetic background model for the CRESST dark matter experiment.

The CRESST (Cryogenic Rare Event Search with Superconducting Thermometers) dark matter search experiment aims for the detection of dark matter particles via elastic scattering off nuclei in crystals. To understand the CRESST electromagnetic background due to the bulk contamination in the employed materials, a model based on Monte Carlo simulations was developed using the Geant4 simulation toolkit. The results of the simulation are applied to the TUM40 detector module of CRESST-II phase 2.

Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization.

The synthesis of macrocycles is severely impeded by concomitant oligomer formation. Here, we present a biomimetic approach that utilizes spatial confinement to increase macrocyclization selectivity in the ring-closing metathesis of various dienes at elevated substrate concentration up to 25 mM using an olefin metathesis catalyst selectively immobilized inside ordered mesoporous silicas with defined pore diameters. By this approach, the ratio between macro(mono)cyclization (MMC) product and all undesired oligomerization products (O) resulting from acyclic diene metathesis polymerization was increased from 0.

OLEDs as models for bird magnetoception: detecting electron spin resonance in geomagnetic fields.

Certain species of living creatures are known to orientate themselves in the geomagnetic field. Given the small magnitude of approximately 48 μT, the underlying quantum mechanical phenomena are expected to exhibit coherence times in the microsecond regime. In this contribution, we show the sensitivity of organic light-emitting diodes (OLEDs) to magnetic fields far below Earth's magnetic field, suggesting that coherence times of the spins of charge-carrier pairs in these devices can be similarly long.

Megahertz non-contact luminescence decay time cryothermometry by means of ultrafast PbI scintillator.

Realtime in situ temperature monitoring in difficult experimental conditions or inaccessible environments is critical for many applications. Non-contact luminescence decay time thermometry is often the method of choice for such applications due to a favorable combination of sensitivity, accuracy and robustness. In this work, we demonstrate the feasibility of an ultrafast PbI scintillator for temperature determination, using the time structure of X-ray radiation, produced by a synchrotron.

Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain.

Relative folding free energies for a series of amide-to-ester mutations in the Pin1-WW domain are calculated using molecular dynamics simulations. Special focus is given to the identification and elimination of a simulation-related bias which was observed in previous work (Eichenberger et al. Biochim.

The Effects of Doping Density and Temperature on the Optoelectronic Properties of Formamidinium Tin Triiodide Thin Films.

Optoelectronic properties are unraveled for formamidinium tin triiodide (FASnI ) thin films, whose background hole doping density is varied through SnF addition during film fabrication. Monomolecular charge-carrier recombination exhibits both a dopant-mediated part that grows linearly with hole doping density and remnant contributions that remain under tin-enriched processing conditions. At hole densities near 10 cm , a strong Burstein-Moss effect increases absorption onset energies by ≈300 meV beyond the bandgap energy of undoped FASnI (shown to be 1.