Hybrid FeNiOOH/α‐Fe2O3/Graphene Photoelectrodes with Advanced Water Oxidation Performance

In this study, the photoelectrochemical behavior of electrodeposited FeNiOOH/Fe₂O₃/graphene nanohybrid electrodes is investigated, which has precisely controlled structure and composition. The photoelectrode assembly is designed in a bioinspired manner where each component has its own function: Fe₂O₃ is responsible for the absorption of light, the graphene framework for proper charge carrier transport, while the FeNiOOH overlayer for facile water oxidation. The effect of each component on the photoelectrochemical behavior is studied by linear sweep photovoltammetry, incident photon‐to‐charge carrier conversion efficiency measurements, and long‐term photoelectrolysis. 2.6 times higher photocurrents are obtained for the best‐performing FeNiOOH/Fe₂O₃/graphene system compared to its pristine Fe₂O₃ counterpart. Transient absorption spectroscopy measurements reveal an increased hole‐lifetime in the case of the Fe₂O₃/graphene samples. Long‐term photoelectrolysis measurements in combination with Raman spectroscopy, however, prove that the underlying nanocarbon framework is corroded by the photogenerated holes. This issue is tackled by the electrodeposition of a thin FeNiOOH overlayer, which rapidly accepts the photogenerated holes from Fe₂O₃, thus eliminating the pathway leading to the corrosion of graphene.     

Development of the high-pressure electro-dynamic gradient crystal-growth technology for semi-insulating CdZnTe growth for radiation detector applications

The high-pressure electro-dynamic gradient (HP-EDG) crystal-growth technology has been recently developed and introduced at eV PRODUCTS to grow large-volume, semi-insulating (SI) CdZnTe single crystals for room-temperature x-ray and gamma-ray detector applications. The new HP growth technology significantly improves the downstream CdZnTe device-fabrication yield compared to earlier versions of the HP crystal-growth technology because of the improved structural and charge-transport properties of the CdZnTe ingots. The new state-of-the-art, HP-EDG crystal-growth systems offer exceptional flexibility and thermal and mechanical stability and allow the growth of high-purity CdZnTe ingots. The flexibility of the multi-zone heater system allows the dynamic control of heat flow to optimize the growth-interface shape during crystallization. This flexibility combined with an advanced control system, improved system diagnostics, and realistic heat-transport modeling provides an excellent platform for continuing process development. Initial results on large-diameter (140 mm), SI Cd_1−xZn_xTe (x=0.1) ingots grown in low temperature gradients with the HP-EDG technique show reduced defect density and complete elimination of ingot cracking. The increased single-crystal yield combined with the improved charge transport allows the fabrication of large-volume, high-sensitivity, high energy-resolution detector devices at increased yield. The CdZnTe ingots grown to date produced large-volume crystals (≥1cm³) with electron mobility-lifetime product (μτ_e) in the (3–7) × 10⁻³ cm²/V range. The lower-than-desired charge-transport uniformity of the HP-EDG CdZnTe ingots is associated with the high density of Te inclusions formed in the ingots during crystallization. The latest process-development efforts show a reduction in the Te-inclusion density, an increase of the charge-transport uniformity, and improved energy resolution of the large-volume detectors fabricated from these crystals.     

Study of defect levels in CdTe using thermoelectric effect spectroscopy

We have studied the defect levels in as grown and post growth processed cadmium telluride (CdTe) using thermoelectric effect spectroscopy (TEES) and thermally stimulated current (TSC) techniques. We have extracted the thermal energy (E_th) and trapping cross section (σ_th) for the defect levels using the initial rise and variable heating rate methods. We have identified 10 different defect levels in the crystals. Thermal ionization energy values obtained experimentally were compared to theoretical values of the transition-energy levels of intrinsic and extrinsic defects and defect complexes in CdTe determined by first-principles band-structure calculations. On the basis of this comparison, we have associated the observed ionization levels with various native defects and impurity complexes.     

Spin-Wave Optics in YIG Realized by Ion-Beam Irradiation

Direct focused-ion-beam writing is presented as an enabling technology for realizing functional spin-wave devices of high complexity, and demonstrate its potential by optically-inspired designs. It is shown that ion-beam irradiation changes the characteristics of yttrium iron garnet films on a submicron scale in a highly controlled way, allowing one to engineer the magnonic index of refraction adapted to desired applications. This technique does not physically remove material, and allows rapid fabrication of high-quality architectures of modified magnetization in magnonic media with minimal edge damage (compared to more common removal techniques such as etching or milling). By experimentally showing magnonic versions of a number of optical devices (lenses, gratings, Fourier-domain processors) this technology is envisioned as the gateway to building magnonic computing devices that rival their optical counterparts in their complexity and computational power.     

N-Aminierung von Isochinolinbasen

N-Amination of Isoquinoline Bases 3, 3-Pentamethylene oxaziridine 1 forms an N N-bond with secondary isoquinoline bases 2a – f to give the cyclohexylidene hydrazines 3a – f . In some cases nitrogen elimination yielding indane derivatives 13b, 13e competes with hydrazone formation. The cyclic Schiff'base 14 and the β-carboline derivative 16 can also be aminated.     

Binding Networks Identify Targetable Protein Pockets for Mechanism-Based Drug Design

The human genome codes only a few thousand druggable proteins, mainly receptors and enzymes. While this pool of available drug targets is limited, there is an untapped potential for discovering new drug-binding mechanisms and modes. For example, enzymes with long binding cavities offer numerous prerequisite binding sites that may be visited by an inhibitor during migration from a bulk solution to the destination site. Drug design can use these prerequisite sites as new structural targets. However, identifying these ephemeral sites is challenging. Here, we introduce a new method called NetBinder for the systematic identification and classification of prerequisite binding sites at atomic resolution. NetBinder is based on atomistic simulations of the full inhibitor binding process and provides a networking framework on which to select the most important binding modes and uncover the entire binding mechanism, including previously undiscovered events. NetBinder was validated by a study of the binding mechanism of blebbistatin (a potent inhibitor) to myosin 2 (a promising target for cancer chemotherapy). Myosin 2 is a good test enzyme because, like other potential targets, it has a long internal binding cavity that provides blebbistatin with numerous potential prerequisite binding sites. The mechanism proposed by NetBinder of myosin 2 structural changes during blebbistatin binding shows excellent agreement with experimentally determined binding sites and structural changes. While NetBinder was tested on myosin 2, it may easily be adopted to other proteins with long internal cavities, such as G-protein-coupled receptors or ion channels, the most popular current drug targets. NetBinder provides a new paradigm for drug design by a network-based elucidation of binding mechanisms at an atomic resolution.     

Bioavailability Improvement Strategies for Icariin and Its Derivates: A Review

In recent years, there has been considerable interest in icariin (ICA) and its derivates, icariside II (ICS) and icaritin (ICT), due to their wide range of potential applications in preventing cancer, cardiovascular disease, osteoporosis, delaying the effects of Alzheimer’s disease, treating erectile dysfunction, etc. However, their poor water solubility and membrane permeability, resulting in low bioavailability, dampens their potential beneficial effects. In this regard, several strategies have been developed, such as pharmaceutical technologies, structural transformations, and absorption enhancers. All these strategies manage to improve the bioavailability of the above-mentioned flavonoids, thus increasing their concentration in the desired places. This paper focuses on gathering the latest knowledge on strategies to improve bioavailability for enhancing the efficacy of icariin, icariside II, and icaritin. We conclude that there is an opportunity for many further improvements in this field. To the best of our knowledge, no such review articles scoping the bioavailability improvement of icariin and its derivates have been published to date. Therefore, this paper can be a good starting point for all those who want to deepen their understanding of the field.     

Phenylalanine Ammonia‐Lyase‐Catalyzed Deamination of an Acyclic Amino Acid: Enzyme Mechanistic Studies Aided by a Novel Microreactor Filled with Magnetic Nanoparticles

Phenylalanine ammonia‐lyase (PAL), found in many organisms, catalyzes the deamination of l ‐phenylalanine (Phe) to (E)‐cinnamate by the aid of its MIO prosthetic group. By using PAL immobilized on magnetic nanoparticles and fixed in a microfluidic reactor with an in‐line UV detector, we demonstrated that PAL can catalyze ammonia elimination from the acyclic propargylglycine (PG) to yield (E)‐pent‐2‐ene‐4‐ynoate. This highlights new opportunities to extend MIO enzymes towards acyclic substrates. As PG is acyclic, its deamination cannot involve a Friedel–Crafts‐type attack at an aromatic ring. The reversibility of the PAL reaction, demonstrated by the ammonia addition to (E)‐pent‐2‐ene‐4‐ynoate yielding enantiopure l ‐PG, contradicts the proposed highly exothermic single‐step mechanism. Computations with the QM/MM models of the N‐MIO intermediates from l ‐PG and l ‐Phe in PAL show similar arrangements within the active site, thus supporting a mechanism via the N‐MIO intermediate.