ALBERT

Description: Walstromite, BaCa2Si3O9, known only from metamorphic rocks of North America, was found in small veins of unusual rankinite paralava within gehlenite hornfelses of the Hatrurim Complex, Israel. It was detected at two localities—Gurim Anticline and Zuk Tamrur, Hatrurim Basin, Negev Desert. The structure of Israeli walstromite [with P space group and cell parameters a = 6.74874(10)Å, b = 9.62922(11) Å, c = 6.69994(12) Å, α = 69.6585(13)°, β = 102.3446(14)°, γ = 96.8782(11)°, Z = 2, V = 398.314(11) Å3) is analogous to the structure of walstromite from type locality—Rush Creek, eastern Fresno County, California, USA. The Raman spectra of all tree minerals exhibit bands related to stretching symmetric vibrations of Si-O-Si at 650–660 cm−1 and Si-O at 960–990 cm−1 in three-membered rings (Si3O9)6−. This new genetic pyrometamorphic type of walstromite forms out of the differentiated melt portions enriched in Ba, V, S, P, U, K, Na, Ti and F, a residuum after crystallization of rock-forming minerals of the paralava (rankinite, gehlenite-åkermanite-alumoåkermanite, schorlomite-andradite series and wollastonite). Walstromite associates with other Ba-minerals, also products of the residual melt crystallization as zadovite, BaCa6[(SiO4)(PO4)](PO4)2F and gurimite, Ba3(VO4)2. The genesis of unusual barium mineralization in rankinite paralava is discussed. Walstromite is isostructural with minerals—margarosanite, BaCa2Si3O9 and breyite, CaCa2(Si3O9), discovered in 2018.

Description: In order to ensure security of supply in a future energy system with a high share of volatile electricity generation, flexibility technologies are needed. Industrial demand-side management ranks as one of the most efficient flexibility options. This paper analyses the effect of the integration of industrial demand-side management through the flexibilisation of aluminium electrolysis and other flexibilities of the electricity system and adjacent sectors. The additional flexibility options include electricity storage, heat storage in district heating networks, controlled charging of electric vehicles, and buffer storage in hydrogen electrolysis. The utilisation of the flexibilities is modelled in different settings with an increasing share of renewable energies, applying a dispatch model. This paper compares which contributions the different flexibilities can make to emission reduction, avoidance of curtailment, and reduction of fuel and CO2 costs, and which circumstances contribute to a decrease or increase of overall emissions with additional flexibilities. The analysis stresses the rising importance of flexibilities in an energy system based on increasing shares of renewable electricity generation, and shows that flexibilities are generally suited to reduce carbon emissions. It is presented that the relative contribution towards the reduction of curtailment and costs of flexibilisation of aluminium electrolysis are high, whereby the absolute effect is small compared to the other options due to the limited number of available processes.

Description: The Molybdenum rich ternary alloys Mo-M-B (M = Zr, Hf) contain, next to the Mo solid solution (bcc Mo with small amounts of Zr or Hf as substitutional atoms), the binary borides Mo2B, MB and MB2. Recently, it was found that there is also ternary Mo2MB2, but the crystal structure and further properties are currently unknown. Density functional theory (DFT) calculations were used not only to predict the crystal structure of the Mo2MB2 phases, but also to estimate the isotropic and anisotropic elastic properties like bulk, shear and Young’s modulus, as well as the Vickers hardness of these new borides. Several known crystal structures that fulfill the criterion of the chemical composition were investigated, and the AlMn2B2 type structure seems to be the most stable crystal structure for Mo2HfB2 and Mo2ZrB2 as there are no signs of electronic or dynamic instability. Regarding the elastic properties, it was found that Mo2HfB2 shows higher elastic moduli and is less elastically anisotropic than Mo2ZrB2.

Description: The cardioprotective properties of extracellular vesicles (EVs) derived from mesenchymal stromal cells (MSCs) are currently being investigated in preclinical studies. Although microRNAs (miRNAs) encapsulated in EVs have been identified as one component responsible for the cardioprotective effect of MSCs, their potential off-target effects have not been sufficiently characterized. In the present study, we aimed to investigate the miRNA profile of EVs isolated from MSCs that were derived from cord blood (CB) and adipose tissue (AT). The identified miRNAs were then compared to known targets from the literature to discover possible adverse effects prior to clinical use. Our data show that while many cardioprotective miRNAs such as miR-22-3p, miR-26a-5p, miR-29c-3p, and miR-125b-5p were present in CB- and AT-MSC-derived EVs, a large number of known oncogenic and tumor suppressor miRNAs such as miR-16-5p, miR-23a-3p, and miR-191-5p were also detected. These findings highlight the importance of quality assessment for therapeutically applied EV preparations.

Description: Fluctuations of motor symptoms make clinical assessment in Parkinson’s disease a complex task. New technologies aim to quantify motor symptoms, and their remote application holds potential for a closer monitoring of treatment effects. The focus of this study was to explore the potential of a stepping in place task using RGB-Depth (RGBD) camera technology to assess motor symptoms of people with Parkinson’s disease. In total, 25 persons performed a 40 s stepping in place task in front of a single RGBD camera (Kinect for Xbox One) in up to two different therapeutic states. Eight kinematic parameters were derived from knee movements to describe features of hypokinesia, asymmetry, and arrhythmicity of stepping. To explore their potential clinical utility, these parameters were analyzed for their Spearman’s Rho rank correlation to clinical ratings, and for intraindividual changes between treatment conditions using standard response mean and paired t-test. Test performance not only differed between ON and OFF treatment conditions, but showed moderate correlations to clinical ratings, specifically ratings of postural instability (pull test). Furthermore, the test elicited freezing in some subjects. Results suggest that this single standardized motor task is a promising candidate to assess an array of relevant motor symptoms of Parkinson’s disease. The simple technical test setup would allow future use by patients themselves.

Description: Kirkwood-Buff (KB) integrals provide a connection between microscopic properties and thermodynamic properties of multicomponent fluids. The estimation of KB integrals using molecular simulations of finite systems requires accounting for finite size effects. In the small system method, properties of finite subvolumes with different sizes embedded in a larger volume can be used to extrapolate to macroscopic thermodynamic properties. KB integrals computed from small subvolumes scale with the inverse size of the system. This scaling was used to find KB integrals in the thermodynamic limit. To reduce numerical inaccuracies that arise from this extrapolation, alternative approaches were considered in this work. Three methods for computing KB integrals in the thermodynamic limit from information of radial distribution functions (RDFs) of finite systems were compared. These methods allowed for the computation of surface effects. KB integrals and surface terms in the thermodynamic limit were computed for Lennard–Jones (LJ) and Weeks–Chandler–Andersen (WCA) fluids. It was found that all three methods converge to the same value. The main differentiating factor was the speed of convergence with system size L. The method that required the smallest size was the one which exploited the scaling of the finite volume KB integral multiplied by L. The relationship between KB integrals and surface effects was studied for a range of densities.

Description: Metal-ceramic composite particles are of increasing interest due to their potential applications in photonic metamaterials as well as next-generation catalysts. The zirconia-gold system has received little attention due to the lack of controllable preparation methods. Well-known methods for the deposition of gold nanoshells on silica spheres, however, should be adaptable for similar zirconia-based materials. Here, we present a novel synthetic approach to the well-controlled deposition of gold on the surface of sol-gel derived zirconia mesoparticles by a stepwise method involving the immobilization of gold nanoparticles and repeated seeded-growth steps. We show that the immobilization efficiency is strongly enhanced by acidification with hydrochloric acid and additional employment of aminomethylphosphonic acid as coupling agent. The optimum conditions are identified and the subsequent incremental growth by seeded reduction of gold is demonstrated. The results shed light on the parameters governing the preparation of zirconia@gold composite particles and our synthetic approach provides a promising tool for future developments in complex nanomaterials design.

Description: As water scarcity becomes of greater concern in arid and semi-arid regions due to altered weather patterns, greater and more accurate knowledge regarding evapotranspiration of crops produced in these areas is of increased significance to better manage limited water resources. This study aimed at determining the actual evapotranspiration (ETa) and crop coefficients (Ka) in California date palms. The residual of energy balance method using a combination of surface renewal and eddy covariance techniques was applied to measure ETa in six commercial mature date palm orchards (8–22 years old) over one year. The experimental orchards represent various soil types and conditions, irrigation management practices, canopy characteristics, and the most common date cultivars in the region. The results demonstrated considerable variability in date palm consumptive water use, both spatially and temporally. The cumulative ETa (CETa) across the six sites ranged from 1299 to 1501 mm with a mean daily ETa of 7.2 mm day−1 in June–July and 1.0 mm day−1 in December at the site with the highest crop water consumption. The mean monthly Ka values varied between 0.63 (December) and 0.90 (June) in the non-salt-affected, sandy loam soil date palms with an average density of 120 plants ha−1 and an average canopy cover and tree height of more than 80% and 11.0 m, respectively. However, the values ranged from 0.62 to 0.75 in a silty clay loam saline-sodic date palm orchard with 55% canopy cover, density of 148 plants ha−1, and 7.3 m tree height. Inverse relationships were derived between the CETa and soil salinity (ECe) in the crop root zone; and between the mean annual Ka and ECe. This information addresses the immediate needs of date growers for irrigation management in the region and enables them to more efficiently utilize water and to achieve full economic gains in a sustainable manner, especially as water resources become less available or more expensive.

Description: Forecasting fire growth, plume rise and smoke impacts on air quality remains a challenging task. Wildland fires dynamically interact with the atmosphere, which can impact fire behavior, plume rises, and smoke dispersion. For understory fires, the fire propagation is driven by winds attenuated by the forest canopy. However, most numerical weather prediction models providing meteorological forcing for fire models are unable to resolve canopy winds. In this study, an improved canopy model parameterization was implemented within a coupled fire-atmosphere model (WRF-SFIRE) to simulate a prescribed burn within a forested plot. Simulations with and without a canopy wind model were generated to determine the sensitivity of fire growth, plume rise, and smoke dispersion to canopy effects on near-surface wind flow. Results presented here found strong linkages between the simulated fire rate of spread, heat release and smoke plume evolution. The standard WRF-SFIRE configuration, which uses a logarithmic interpolation to estimate sub-canopy winds, overestimated wind speeds (by a factor 2), fire growth rates and plume rise heights. WRF-SFIRE simulations that implemented a canopy model based on a non-dimensional wind profile, saw significant improvements in sub-canopy winds, fire growth rates and smoke dispersion when evaluated with observations.

Description: The development of new bio-friendly alternatives for wood conservation is of great interest and necessary for environmental protection. In this paper, the preparations based on the propolis extract and silicon compounds were used as green wood preservatives. The wood was treated with 15% propolis extract (EEP) and two propolis-silane preparations, namely, EEP-VTMOS/TEOS (EEP with vinyltrimethoxysilane and tetraethyl orthosilicate) and EEP-MPTMOS/TEOS (EEP with 3-(trimethoxysilyl) propyl methacrylate and tetraethyl orthosilicate). The aim of the research was to determine the properties of treated wood, which was characterized by Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), atomic absorption spectroscopy (AAS), X-ray fluorescence (XRF), and scanning electron microscopy (SEM). Moreover, the resistance against brown-rot fungus Coniophora puteana and the mechanical properties of treated wood were also determined. The analysis of phenolic compounds concentration in treated wood indicated that phenols were in greater extent leached from wood treated with the propolis extract than from wood impregnated with the propolis-silane preparations. The presence of silicon in treated wood both before and after leaching was confirmed by CP MAS NMR measurements. In turn, AAS and XRF analyses indicated that the degree of Si leaching from wood impregnated with EEP-VTMOS/TEOS was approximately two times lower than from EEP-MPTMOS/TEOS treated wood. The results of chemical analyses confirmed that the constituents of the propolis-silane preparations formed permanent bonds with wood. In turn, the results of the antifungal efficacy against C. puteana showed that the propolis extract and the propolis-silane preparations limited the fungus activity, even the wood was subjected to leaching procedure. The treated wood showed an increase in bending strength and a decrease in the modulus of elasticity compared to untreated wood. The obtained results indicate that the propolis-silane preparations can be promising green wood preservatives, harmless for the natural environment.