Facile synthesis approach of bifunctional Co-Ni-Fe oxyhydroxide and spinel oxide composite electrocatalysts from hydroxide and layered double hydroxide composite precursors.

Zinc-air batteries (ZABs) are promising candidates for the next-generation energy storage systems, however, their further development is severely hindered by kinetically sluggish oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). Facile synthesis approaches of highly active bifunctional electrocatalysts for OER and ORR are required for their practical applications. Herein, we develop a facile synthesis procedure for composite electrocatalysts composed of OER-active metal oxyhydroxide and ORR-active spinel oxide containing Co, Ni and Fe from composite precursors consisting of metal hydroxide and layered double hydroxide (LDH).

Migration mediated by the oxysterol receptor GPR183 depends on arrestin coupling but not receptor internalization.

The chemotactic G protein-coupled receptor GPR183 and its most potent endogenous oxysterol ligand 7α,25-dihydroxycholesterol (7α,25-OHC) are important for immune cell positioning in secondary lymphoid tissues. This receptor-ligand pair is associated with various diseases, in some cases contributing favorably and in other cases adversely, making GPR183 an attractive target for therapeutic intervention. We investigated the mechanisms underlying GPR183 internalization and the role of internalization in the main biological function of the receptor, chemotaxis.

Wood and bark structure in : anatomical background of stem morphology.

Bark (all tissues outside of the vascular cambium) has been extensively studied in recent years, especially its anatomy and physiology. Macromorphological bark characters can be important taxonomically for many plant groups, including the genus (Scrophulariaceae). However, the relationship between macroscopic bark appearance and its microscopic structure remains obscure, hampering the use and interpretation of bark traits in plant taxonomy and phylogenetics as well as in other fields of botany.

The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials.

In X-ray constrained wavefunction (XCW) fitting, external information, such as electron correlation and polarization, is included into a single-determinantal isolated-molecule wavefunction. In a first step, we show that the extraction of these two physical effects by XCW fitting is complete and accurate by comparing to theoretical reference calculations. In a second step, we show that fitting to data from single-crystal x-ray diffraction measurements provides the same results qualitatively and how the physical effects can be separated, although always inherently convolved in the experiment.

Fungal Biostarter Effect on the Quality of Dry-Aged Beef.

Meat aging is a process consisting of its storage in specific conditions which leads to an increase in its organoleptic qualities. The most common method of meat aging is the wet vacuum-bag based method, whereas the traditional method, called dry-aging, involves keeping meat at a low temperature for an extended time. However, this process is characterized by low repeatability of the results.

Ligand-Receptor Interactions of : A View from Charge Density Study and QM/MM Calculations.

The nature and strength of interactions for an anti-HIV drug, , were studied in a pure crystal form of the drug and the ligand-receptor complexes. High-resolution single-crystal X-ray diffraction studies of the tetragonal polymorph allowed the drug's experimental charge density distribution in the solid state to be obtained. The QM/MM calculations were performed for a simplified model of the complex with deoxycytidine kinase (two complexes with different binding modes) to reconstruct the theoretical charge density distribution.

Computational evaluation of halogen-bonded cocrystals enables prediction of their mechanochemical interconversion reactions.

Periodic density-functional theory (DFT) calculations were used to predict the thermodynamic stability and the likelihood of interconversion between a series of halogen-bonded cocrystals. The outcomes of mechanochemical transformations were in excellent agreement with the theoretical predictions, demonstrating the power of periodic DFT as a method for designing solid-state mechanochemical reactions prior to experimental work. Furthermore, the calculated DFT energies were compared with experimental dissolution calorimetry measurements, marking the first such benchmark for the accuracy of periodic DFT calculations in modelling transformations of halogen-bonded molecular crystals.

Application of biocompatible and ultrastable superparamagnetic iron(III) oxide nanoparticles doped with magnesium for efficient magnetic fluid hyperthermia in lung cancer cells.

Magnetic fluid hyperthermia (MFH) is a promising therapeutic strategy that targets malignant tissues by heating to 40-43 °C using magnetic nanoparticles (MNPs) subjected to an alternating magnetic field (AMF). In this study, novel magnetic iron(III) oxide nanoparticles doped with magnesium (Mg-γ-FeO(mPEG-silane)) were synthesized, and their structural, chemical, and magnetic properties were analyzed using the following techniques: Fourier-transform infrared spectroscopy, Raman spectroscopy, vibrating magnetometer analysis, powder X-ray diffraction, inductively coupled plasma mass spectrometry, scanning electron microscopy, high-resolution transmission electron microscopy, and energy-dispersive X-ray spectroscopy. The as-synthesized MNPs were used as water ferrofluids for MFH under an AMF in two calorimetric setups, namely phantom and lung cancer cell (A549) models.

Specificities of Protein Homology Modeling for Allosteric Drug Design.

The allosteric binding sites are usually located in the flexible areas of proteins, which are hardly visible in the crystal structures. However, there are notable exceptions like allosteric sites in receptors in class B and C of GPCRs, which are located within a well-defined bundle of transmembrane helices. Class B and C evolved from class A and even after swapping of orthosteric and allosteric sites the central binding site persisted and it can be used for easy design of allosteric drugs.

Protein Homology Modeling for Effective Drug Design.

The effective drug design, especially for combating the multi-drug-resistant bacterial pathogens, requires more and more sophisticated procedures to obtain novel lead-like compounds. New classes of enzymes should be explored, especially those that help bacteria overcome existing treatments. The homology modeling is useful in obtaining the models of new enzymes; however, the active sites of them are sometimes present in closed conformations in the crystal structures, not suitable for drug design purposes.

Locomotor behavior and hearing sensitivity in an early lagomorph reconstructed from the bony labyrinth.

The structure of the bony labyrinth is highly informative with respect to locomotor agility (semicircular canals [SCC]) and hearing sensitivity (cochlear and oval windows). Here, we reconstructed the agility and hearing sensitivity of the stem lagomorph from the early Oligocene of the Brule Formation of Nebraska (USA). has proportionally smaller SCCs with respect to its body mass compared with most extant leporids but within the modern range of variability, suggesting that it was less agile than most of its modern relatives.

Euglenozoan kleptoplasty illuminates the early evolution of photoendosymbiosis.

Kleptoplasts (kP) are distinct among photosynthetic organelles in eukaryotes (i.e., plastids) because they are routinely sequestered from prey algal cells and function only temporarily in the new host cell.

Mechanisms regulating the CRISPR-Cas systems.

The CRISPR-Cas (Clustered Regularly Interspaced Short Palindromic Repeats- CRISPR associated proteins) is a prokaryotic system that enables sequence specific recognition and cleavage of nucleic acids. This is possible due to cooperation between CRISPR array which contains short fragments of DNA called spacers that are complimentary to the targeted nucleic acid and Cas proteins, which take part in processes of: acquisition of new spacers, processing them into their functional form as well as recognition and cleavage of targeted nucleic acids. The primary role of CRISPR-Cas systems is to provide their host with an adaptive and hereditary immunity against exogenous nucleic acids.

Application of Monoferrocenylsumanenes Derived from Sonogashira Cross-Coupling or Reactions in Highly Sensitive and Selective Cesium Cation Electrochemical Sensors.

This paper reports the synthesis and characterization of novel monoferrocenylsumanenes obtained by means of the Sonogashira cross-coupling or reaction as well as their application in cesium cation electrochemical sensors. A new synthetic protocol based on Sonogashira cross-coupling was developed for the synthesis of monoferrocenylsumanene or ethynylsumanene. The reaction was introduced to the sumanene chemistry through the synthesis of 1,2,3-triazole containing monoferrocenylsumanene.

Micro-Evolutionary Processes in at Metalliferous Sites.

Tolerance to heavy metals in plants is a model process used to study adaptations to extremely unfavorable environments. One species capable of colonizing areas with high contents of heavy metals is (Mill.) Wild.

Intermittent and temporally variable bioturbation by some terrestrial invertebrates: implications for ichnology.

Bedding planes and vertical sections of many sedimentary rock formations reveal bioturbation structures, including burrows, produced by diverse animal taxa at different rates and durations. These variables are not directly measurable in the fossil record, but neoichnological observations and experiments provide informative analogues. Comparable to marine invertebrates from many phyla, a captive beetle larva burrowing over 2 weeks showed high rates of sediment disturbance within the first 100 h but slower rates afterwards.

How genomics can help biodiversity conservation.

The availability of public genomic resources can greatly assist biodiversity assessment, conservation, and restoration efforts by providing evidence for scientifically informed management decisions. Here we survey the main approaches and applications in biodiversity and conservation genomics, considering practical factors, such as cost, time, prerequisite skills, and current shortcomings of applications. Most approaches perform best in combination with reference genomes from the target species or closely related species.

Synthesis of π-extended and bowl-shaped sumanene-ferrocene conjugates and their application in highly selective and sensitive cesium cations electrochemical sensors.

Carbon-carbon bond formation, condensation or reactions were used to synthesize novel bowl-shaped sumanene-ferrocene conjugates, along with the extended π-electron framework in good yields. For the first time, the present study uses sumanene derivatives tris-substituted at the benzylic positions as the materials to begin the study on the or the metal-catalyzed coupling reactions, Suzuki-Miyaura or Sonogashira couplings. The synthesized conjugates exhibited the property of selective recognizing cesium cations.

Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time-accuracy trade-off.

Aspherical atom refinement is the key to achieving accurate structure models, displacement parameters, hydrogen-bond lengths and analysis of weak interactions, amongst other examples. There are various quantum crystallographic methods to perform aspherical atom refinement, including Hirshfeld atom refinement (HAR) and transferable aspherical atom model (TAAM) refinement. Both HAR and TAAM have their limitations and advantages, the former being more accurate and the latter being faster.

Liquid-Droplet-Mediated ATP-Triggered Amyloidogenic Pathway of Insulin-Derived Chimeric Peptides: Unraveling the Microscopic and Molecular Processes.

Disease-associated progression of protein dysfunction is typically determined by an interplay of transition pathways leading to liquid-liquid phase separation (LLPS) and amyloid fibrils. As LLPS introduces another layer of complexity into fibrillization of metastable proteins, a need for tunable model systems to study these intertwined processes has emerged. Here, we demonstrate the LLPS/fibrillization properties of a family of chimeric peptides, ACCK, in which the highly amyloidogenic fragment of insulin (ACC) is merged with oligolysine segments of various lengths (K, = 8, 16, 24, 32, 40).

The first dataset of vascular plant species occurrences on kurgans in Southern Ukraine.

Background: The dataset contains the records of vascular plant species occurrences and distribution on Ukrainian kurgans (burial mounds, barrows), located in various zones of steppe vegetation: desert steppe, grass steppe, herb-rich grass steppe and forest steppe. Much of the studied kurgans belongs to the territory historically known as the "Wild Fields". Besides the occurrence data, the publication presents a comparison of the floristic richness amongst five microhabitats distinguished on kurgans (top, northern slope, northern bottom, southern slope, and southern bottom) and amongst kurgans located in different steppe zones.

Co nanoparticles supported on mixed magnesium-lanthanum oxides: effect of calcium and barium addition on ammonia synthesis catalyst performance.

The synthesis of ammonia in the Haber-Bosch process produces millions of tons of ammonia annually needed for producing fertilisers required to feed the growing population. Although this process has been optimised extensively, it still accounts for about 2% of global energy consumption. It is, therefore, desirable to develop an efficient ammonia synthesis catalyst.