Abstract: The thermodynamic aspects of various 2D materials are explored using Density Functional Theory (DFT). Various metal chalcogenides (MX2, M = metal, chalcogen X = S, Se, Te) are investigated with respect to their interaction and stability under different ambient conditions met in the integration process of a transistor device. Their interaction with high- dielectrics is also addressed, in order to assess their possible integration in Complementary Metal Oxide Semiconductor (CMOS) field effect transistors. 2D materials show promise for high performance nanoelectronic devices, but the presence of defects (vacancies, grain boundaries,...) can significantly impact their electronic properties. To assess the impact of defects, their enthalpies of formation and their signature levels in the density of states have been studied. We find, consistently with literature reports, that chalcogen vacancies are the most likely source of defects. It is shown that while pristine 2D materials are in general stable whenever set in contact with different ambient atmospheres, the presence of defective sites affects the electronic properties of the 2D materials to varying degrees. We observe that all the 2D materials studied in the present work show strong reactivity towards radical oxygen plasma treatments while reactivity towards other common gas phase chemical such as O-2 and H2O and groups present at the high- surface varies significantly between species. While energy band-gaps, effective masses and contact resistivities are key criteria in selection of 2D materials for scaled CMOS and tunneling based devices, the phase and ambient stabilities might also play a very important role in the development of reliable nanoelectronic applications.

Abstract: Climate change impact, food security concerns, and greenhouse gas emissions are pressuring agricultural production systems in developing countries. There is a need for a shift toward sustainable food systems. One of the concepts introduced to drive this shift is climate-smart agriculture (CSA), endorsed by international organizations to address multifaceted challenges. Despite widespread attention and support, the adoption of CSA among African farmers remains low. This systematic literature review aims to shed light on the factors influencing CSA adoption amongst African farmers. Within the articles identified as relevant, over 50 CSA practices and more than 40 factors influencing CSA adoption were distinguished. These influencing factors can be categorized as personal, farm- related, financial, environmental, and informational. The focus of this review is to identify and explain the overall impact (positive, negative, or mixed) of these factors on CSA adoption. Overall, many factors result in mixed effects, only some factors have an unambiguous positive or negative effect on CSA adoption. For instance, educational level emerges as a key personal factor, positively impacting CSA adoption, along with positive influences from farmers’ experience and farm size among farm-related factors. Financial factors reveal distinct patterns, with income from farming and access to credit positively influencing adoption, while off-farm income exhibits a negative effect. Environmental factors, though less researched, indicate positive impacts related to changes in rainfall patterns, temperature, and droughts. Lastly, informational factors consistently exhibit a positive effect on CSA adoption, with training, access to extension, group memberships, climate information, and CSA awareness playing crucial roles. These findings provide valuable insights for policymakers seeking to enhance CSA adoption in Africa, offering a nuanced understanding of the multifaceted dynamics at play.

Abstract: Synchrotron radiation, high-resolution transmission electron microscopy (HRTEM), X-ray powder diffraction, and Raman spectroscopy were used to study the structure and thermal behavior of malayaite, CaSnSiO5. No indications of deviation from A2/a symmetry and no structural transitions were observed between 100 and 870 K. HRTEM revealed that the material is free of domains and antiphase boundaries. However, the lattice constants, cell volume, and Raman-active phonons show a thermal discontinuity near 500 K, which is possibly related to variation of the coordination sphere around the highly anisotropic Ca position.

Abstract: A study of wood dust exposure in 20 small- and medium-scale wood-processing enterprises was performed in Ethiopia. Sampling was conducted daily from January to June, 2013 and a total of 360 samples from 113 workers were collected with Institute of Occupational Medicine (IOM) personal samplers. Eight-hour time-weighted average exposure to wood dust ranged from 0.24 to 23.3mg m−3 with a geometric mean (GM) of 6.82mg m−3 and a geometric standard deviation of 1.82. Although Ethiopia did not have any defined standard of Occupational Exposure Limit for wood dust exposure, 71% of the measurements exceeded the limit of 5mg m−3 set by the European Union (EU). Higher than the EU exposure limit was measured while workers perform sanding and sawing activities with a GM of 9.72 and 7.60mg m−3, respectively. In conclusion, wood workers in the small- and medium-scale enterprises are at a higher risk of developing different respiratory health problems with continuous exposure trends.

Abstract: Various bulk and surface analytical techniques were used to study the chemical deterioration of the 13th-to-15th century limestone cathedral in Mechelen, Belgium. The weathering crust on the walls was found to be rich in sulfate, regardless of the geographic orientation. Nitrate and chloride were only detected in minor amounts in the crust and run-off samples. Attack by gaseous sulfur compounds seems to play a dominant role in the stone deterioration mechanism. Electron microprobe analysis showed predominantly bar-shaped gypsum crystals in the crust, and laser microprobe mass spectrometry showed that carbon seems to be responsible for the blackness of most crust samples. Automated electron microprobe analysis also indicated significant differences in the analytical composition of suspensions in run-off water and in rain-water.

Abstract: Natural deep eutectic solvents (NADES) show great promise as media for enzymatic reactions in areas where (bio)compatibility with natural or medicinal products is a must. While in theory they can be tailored to the intended reaction to ensure optimized yields, the knowledge to date is predominantly empirical, with some mechanistic reports providing a fragmented view at best. Therefore, it is not easy to explain experimental observations, let alone make predictions. The aim of this study was to develop a structured, holistic understanding of the effects of NADES media on enzymatic reactions, distinguishing between effects on solubility, solvation, viscosity, inhibition and denaturation. Experimental and computational chemistry methods were combined to separately study the interactions between enzyme, substrate, and NADES as reaction media. The initial enzyme activity and the final conversion of vinyl laurate transesterification by immobilized Candida antarctica lipase were studied experimentally. The direct effect of NADES on the same enzyme was modeled by molecular dynamics simulation. The effect of solubility was studied by both experimental and computational methods. To predict the solubility and viscosity of NADES, data-driven models were developed by combining group contribution and machine learning methods, based on the accumulated experimental knowledge on NADES found in the literature. Finally, the composed relationships and prediction models were applied to the practical example of deacetylation of mannosylerythritol lipids (MELs). The experimental findings show that the chosen NADES system has a significant effect on both the apparent initial activity and the final conversion. However, in the simulations, the enzyme retains its original structure; moreover, NADES has an additional stabilizing effect on the enzyme. In addition, changes in the molar ratio of the compounds in NADES do not show a significant effect on the stability of the enzyme. These results indicate that the main effect of NADES on the reaction is mainly related to the substrate-solvent interactions (solvation energy) and the viscosity of the system. On the other hand, the experimental results only confirmed the significance of solvation, viscosity did not show a clear correlation with the studied reaction parameters. The machine learning models built for solubility and viscosity gave quantitative predictions of these properties. The accumulated knowledge was used to optimize the yield in the deacetylation reaction of MELs. The combination of these methods provides fundamental knowledge about the effect of NADES on biocatalysis, but the results are also applicable to other uses of NADES.

Abstract: Polymetallic nodules found in the Clarion Clipperton Fracture Zone in the NE Pacific contain more nickel, manganese and cobalt than all terrestrial reserves combined. Following the 1982 Law of the Sea Convention and its 1994 Implementing Agreement, the resources of the international seabed beyond the limits of national jurisdiction will be developed for the benefit of mankind by attracting investment and technology, whilst demanding that necessary measures be taken to ensure effective protection of the marine environment. To date, no single commercial seabed mining activity has taken place in international waters, and the development of balanced and stimulating exploitation regulation is needed, based on accurate economic analysis. This paper presents the first detailed, vertically integrated, stochastic techno-economic assessment from a contractor's perspective, and contributes to the development of the world's first exploitation regulations. The economic performance measured by the internal rate of return was compared using deterministic and probabilistic commodity price forecasting models. Different levels of a financial payment regime, comprising of a royalty payment and a payment to internalize environmental costs, were considered. When real growth was included, the internal rate of return remains above the hurdle rate when a transitional, total-cost, financial payment regime is below 2 per cent during the initial period and below 4 per cent for the remaining tenure period. Following a 10-year moving average of commodity prices, including real growth, a 77.51 per cent probability was calculated of achieving a hurdle rate of 18 per cent.

Abstract: Identifying priority areas is an essential step in developing management strategies to reduce pesticide loads in surface water. A spatially explicit model-based approach was developed to detect priority areas for diffuse pesticide pollution at catchment scale. The method uses available datasets and considers different pesticide pathways in the environment post-application. The approach was applied in a catchment area in SE Flanders (Belgium) as a case study. Calculated risk areas were obtained using detailed landscape data and combining pesticide emissions and hydrological connectivity. The risk areas obtained were further compared with an alternative observation-based method, developed specifically for this study site that includes long-term field observations and local expert knowledge. Both methods equally classified 50% of the areas. The impact of crop rotation on the calculated risk was analysed. High-risk areas were identified and added to a cumulative map over all five years to evaluate temporal variations. The model-based approach was used for the initial identification of risk areas at the study site. The tool helps to prioritise zones and detect particular fields to target landscape mitigation measures to reduce diffuse pesticide pollution reaching surface water bodies.

Abstract: Although it is now relatively straightforward to identify protein binders in works of art, their proper localization within the corresponding layer still represents a significant analytical challenge. Until now, the identification of proteins has mainly been performed by peptide mass fingerprinting using mass spectrometric methods and their localization in polished paint cross-sections have been realized by optical microscopy via the use of fluorescent stain Sypro Ruby (SR). In this work we propose a simplified protocol for immuno-surface enhanced Raman scattering (immuno-SERS) using gold nanoparticles attached to biphenyl-4,4-dithiol (BPDT) as the SERS-nanotag. These nanoparticles are easily obtainable in the lab and have been used to label multilayered mock up samples prepared as cross-sections to estimate the detection limits of the suggested method. The layers contain egg, casein, and different animal glues binders (prepared in various ratios with linseed oil or a carbohydrate component) mixed with the pigments azurite, vermilion and chalk. The sensitivity of staining agent SR is compared to that of the immuno-SERS protocol for the first time.

Abstract: Egg geometry can be described using Preston's equation, which has seldom been used to calculate egg volume (V) and surface area (S) to explore S versus V scaling relationships. Herein, we provide an explicit re-expression of Preston's equation (designated as EPE) to calculate V and S, assuming that an egg is a solid of revolution. The side (longitudinal) profiles of 2221 eggs of six avian species were digitized, and the EPE was used to describe each egg profile. The volumes of 486 eggs from two avian species predicted by the EPE were compared with those obtained using water displacement in graduated cylinders. There was no significant difference in V using the two methods, which verified the utility of the EPE and the hypothesis that eggs are solids of revolution. The data also indicated that V is proportional to the product of egg length (L) and maximum width (W) squared. A 2/3-power scaling relationship between S and V for each species was observed, that is, S is proportional to (LW2)(2/3). These results can be extended to describe the shapes of the eggs of other species to study the evolution of avian (and perhaps reptilian) eggs.

Abstract: In this paper a particularly simple but efficient method is presented by which samples of alkali-doped C-60 materials or other air-sensitive materials can be prepared and transferred into a transmission electron microscope for direct observations and investigations. Flexible, transparent glove bags are used which are filled to a slight overpressure with dry nitrogen. Under this protective atmosphere, the air-sensitive sample is mounted in the specimen holder and inserted in the vacuum of the electron microscope. Rb6C60 which is prepared and transferred into the microscope in this way has been investigated by transmission electron microscopy (TEM). The results confirm the bcc structure and especially the location of the rubidium atoms.

Abstract: A simple procedure is proposed for the calculation of the absorption correction factor in electron-probe x-ray microanalysis. It is based on the concept of an effective depth of x-ray production, assuming a rectangular depth distribution function for x-ray generation. This effective x-ray production depth is expressed as a fraction of the x-ray excitation depth given by Whelan's expression. Adequate values for this fraction are presented. Two versions are considered. In the first the effective x-ray production is a function of both the characteristic x-ray energy and the atomic numbers of the matrix elements, whereas in the second one, which is indicated for routine use, the energy dependence is neglected. Calculations pointed to satisfactory results, even for low x-ray energies and high overvoltages.

Abstract: Increasingmass tourismcan generate importantmicroclimatic perturbations and also elevate indoor pollution by the transport of fine particulatematter. The purpose of this researchwas to study the indoor air conditions in the RoyalMuseum ofWawel Castle in Cracow, Poland, displaying amongst other valuable works of art also a unique collection of Flemish tapestries. The investigation involved in the determination of transport and deposition of particulate matter brought in by visitors. The microclimate inside the exhibition rooms was also monitored. Samples of suspended particulateswere collected inside and outside themuseuminwinterand summer2006.On days with intensive tourist visits the concentration of total suspended particulates was significantly higher (i.e., 130 µg/m3 inwinter and 49 µg/m3 in summer) than on those days without tourists (i.e., 73 µg/m3 and 22 µg/m3 in winter and summer, respectively). The concentrations of all investigated elementswere also considerably higher during the tourist flow. This was especially valid for soil dust associated elements (Si, K, Ca, Al, and Ti), with considerably higher levels in summer than winter. This could be linked with much more frequent tourist activity in the summer period. Also, the concentration of Clwasmuch higher inwinter than summer, due to the use of deicing salts on the roads and pavements.

Abstract: Defects on hollow silica spheres synthesized in a tetraethylorthosilicate-octylamine-HCl-H2O system were recorded by scanning microscope. Based on the results, influences of synthesis composition on the formation of these defects are discussed. It is evidenced that products prepared with different octylamine-to-tetraethylorthosilicate ratios may have surface depressions, cracks and non-hollow microspheres. However, by changing water and acid additions, these defects could be reduced or eliminated. Generally, samples synthesized with a large octylamine addition commonly exhibit surface depressions. A small octylamine or a large water addition benefits the formation of solid silica microspheres among the product. Acid, although is not indispensable for the formation of hollow spheres, helps to eliminate or reduce depressions on the hollow shells. It is explained that the added acid gives rise to a relative localized fast hydrolysis versus condensation, facilitating an easy mobility of hydrolyzed silica species, and consequently the shell surface is smoothened.