Rendiconti Lincei-Scienze Fisiche E Naturali最新文献

Sea level rise (SLR) is among the major climate change effects threating the coasts of the Mediterranean basin, which are increasingly exposed to coastal flooding, especially along the low lying coastal plains, river deltas, lagoons and reclamation areas. Coastal erosion, beach retreat and marine flooding are already causing unprecedented environmental and socio-economic impacts on coastal populations. According to the Intergovernmental Panel on Climate Change (IPCC) these effects are expected to worsen by 2100 and beyond with a projected global SLR up to about 1 m above the current level. This study provides an overview of the Mediterranean basin, focusing on the vulnerable city of Venice, which is particularly exposed to marine flooding due to SLR and land subsidence. We show the current and future sea level trend as well as a flooding scenarios in the absence of the Experimental Electromechanical Module (MoSE), which is protecting the city of Venice since 2020. To understand the awareness of citizens in Venice to address SLR, we have engaged a group of stakeholders through a structured participatory process to develop solution-oriented, case-specific and site-specific Policy Tools. Our results show that the Policy Tools contain relevant, effective and implementable actions stemming from stakeholder interaction and consensus building, identifying relevant issues that should be considered for SLR adaptation policies. A more extensive participation in public processes is required to materialize the Policy Tools into concrete actions to help vulnerable areas adapt to the expected SLR by the end of this century.

Abstract

Chalcones have gained attention due to their wide range of biological activities, including anticancer, antimalarial, antimicrobial, antitubercular, antimutagenic, anti-inflammatory, and anti-diabetic effects, as well as their physical properties on nonlinear optical materials. This work describes the synthesis and extensive characterization of a new chalcone (2E)-3-(4-hydroxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one. Single crystal X-ray diffraction and Hirshfeld surfaces were employed to analyze the molecular structure and supramolecular arrangement (stabilized primarily by O₂–H₂⋯O₁ and C₁₅–H₁₅⋯O₁ hydrogen bonds). The frontier molecular orbitals and molecular electrostatic potential maps were obtained to predict the chemical reactivity properties. The structured media supermolecule approach reaffirms its accuracy in gauging the dipole moment of crystals during their electric polarization processes. The significant shifts observed in molecular optical behaviors when placed within crystalline environments reinforce the impactful role of surroundings on both electrical and optical properties. This paper not only sheds light on the unique properties of the title compound but also underscores the potential applications of chalcones in both biological and material sciences.

Abstract

Geodesy can provide valuable information on marine current estimation based on the combination of gravity and altimetry. Gravity is standardly used to estimate the geoid undulation, i.e. the height of the geoid over a given reference ellipsoid. As it is well known, the geoid undulation over the oceans is closely related to the Mean Sea Surface (MSS) with discrepancies that can reach 1–2 m at global scale. By satellite altimetry, one can get the MSS and then estimate the Mean Dynamic Topography (MDT) as the difference between the MSS and the geoid undulation. As the MDT is related to the ocean circulation, information on the ocean circulation to be compared with oceanographic estimates can be provided using these geodetic measurements. In this context, the GeoMed2 project aims at estimating a high-accuracy and high-resolution geoid model for the Mediterranean Sea based on land and marine gravity data and on recent Global Geopotential Models. In this paper, the processing methodology based on the well-known remove–compute–restore approach for the determination of the geoid in the Mediterranean area is presented. In a pre-processing step, all available gravity observations for the wider Mediterranean basin have been collected, validated, homogenized, and unified in terms of their horizontal and gravity system. In this way, a reliable gravity database to be used for the determination of the geoid has been prepared. This data set has been used in computing a gravimetric geoid estimate based on which the MDT over the Mediterranean Sea was obtained. The results of this computation were then revised, commented and compared with other existing MDT solutions. By these comparisons, it can be concluded that the geodetic computed MDT is not yet satisfactory since it is too noisy. This is possibly due to some inconsistencies still present in the gravity data used for estimating the geoid undulation and to the adopted MSS which seems to be too smooth over the Mediterranean area.

Sea level rise due to climate change is an ongoing process that will continue for centuries and millennia. In response to this, France is increasingly considering sea level rise in its coastal risks and land use policies. Here, we show that despite real progress in coastal adaptation policies made so far, major challenges remain. We report progress regarding the consideration of ongoing erosion and flooding during storms, in particular owing to an evolving national regulation increasingly supporting the implementation of a nationally defined integrated coastal zones management strategy. Yet, chronic flooding at high-tides in ports and cities expected to emerge in the 2030s, as well as permanent flooding and shoreline retreat projected to take place within centuries without major protection works remain largely unaddressed to date. Major questions remain in terms of adaptation finance and other measures supporting coastal adaptation such as climate services. Finally, the topic of coastal adaptation lacks connections with the broader context of transformations needed to address climate change, biodiversity losses, and meet the sustainable development goals. The case of France exemplifies how an evolving adaptation planning, which takes decades to implement, can ultimately fall short of effectively addressing major transformational challenges and achieving climate resilient development. We argue that a clear and transparent public debate on climate change and the nature of solutions could help bridge the gap between ongoing adaptation and transformative measures in line with the challenges.

The discovery of non-toxic compounds with herbicidal activity remains a significant challenge in agricultural weed management practices. In this study, we conducted a comparative analysis of sulfonamide derivatives, namely sulfadiazine, sulfamerazine, and sulfamethazine, which are commonly used as antibiotic drugs. Our aim was to understand the impact of the –CH₃ substituent group on the pyrimidine ring and its potential as herbicide candidates. We examined the geometric and electronic structures using density functional theory with the M06-2X hybrid exchange–correlation functional, coupled with the 6-311++G(d, p) basis set, in the gas phase. These geometric parameters were then compared to crystallographic data for validation. The frontier molecular orbital energies were employed to predict chemical reactivity descriptors, while molecular electrostatic potentials and Fukui functions aided in identifying the reactive sites within the sulfonamides. To gain insights into the supramolecular arrangement, we conducted molecular topology analyses, including the Hirshfeld surface and quantum theory of atoms in molecules. These analyses revealed that the intermolecular interactions in the respective crystals are primarily closed-shell, characterized as van der Waals forces and hydrogen bonds. Additionally, the stability of these interactions was confirmed through natural bond orbital calculations. Furthermore, we carried out toxicophoric modeling against the acetolactate synthase enzyme to identify potential interacting groups. Molecular docking studies were carried out to examine the interactions of sulfonamides with the enzyme's binding site. The quantum theory of atoms in molecules was employed to gain insights into the nature of interactions between the toxicophoric groups and the lateral chains of amino acids present at the enzyme's binding site. Tests of Human Ether-a-go-go-Related Gene Inhibition, AMES Toxicity, Fish Toxicity, Tetrahymena Pyriformis toxicity, and honey bee toxicity showed that the sulfonamide derivatives do not cause toxicity in these species and may present good environmental tolerance. The results obtained in this study suggest the need for biological tests to validate the herbicidal potential of sulfonamides.

The origin of herbaria represented a revolution in the history of botany. An analysis of the earliest herbaria points to Bologna and Ferrara (Italy) as the cradle of this innovation. Ferrara, the seat of the Court of Este, was a hotspot of scientific humanism during the first half of the sixteenth century. Some evidence indicates that the physician and humanist Nicolò Leoniceno played a role in opening the way for this new science. Bologna was likewise a center of diffusion of the ars herbaria and Luca Ghini an undisputed leader. From there, the art of making herbaria spread rapidly in Italy and then throughout Europe. Three herbaria were certainly compiled before 1550, five more were completed or initiated in Italy before 1551, and by the end of the century, more than 20 herbaria had been compiled in Europe. In the earliest herbaria, plants were labeled with the names given by Dioscorides, as these were regarded as the ‘‘correct’’ ones. Starting from the middle of the century, however, several major botanical works were published, each one adopting a different nomenclature. This induced some authors to label their herbarium specimens with a rich synonymy. Herbaria offered an unprecedented opportunity for scientific communication: Dried plant specimens could be sent everywhere, so that any botanist could find out the meaning that colleagues abroad gave to a given plant name. Thus, for the first time in history, herbaria allowed a commonly accepted nomenclature to be established, a prerequisite for the development of a European scientific community.

Graphical Abstract

Human activities can impact avian populations leading to impaired fitness. It is, therefore, important to monitor their response to direct disturbance. Flight initiation distance (FID) is considered a measure of tolerance to humans and can be affected by age and gregariousness, yet few systematic data are available across species in similar environments. We measured FID in eight species of waterbirds in two coastal lagoon environments with different protection regimes, taking into account age classes and whether individuals were grouped or alone. Species markedly differed in FID: average distance ranged between 50 (little egret, Egretta garzetta, singletons) and 188 m (spoonbill, Platalea leucorodia, flocks). Overall, adults were more cautious than immatures, likely due to learning and experience, while flocks flew up sooner than singletons likely due to the “many eyes” effect. In areas strictly protected, where only low and non-threatening human activities are allowed, birds flew at a shorter distance than in areas with a less strict regime of protection. Interestingly, large-sized species flew at longer distance than small-sized species. These findings have important implications for management to reduce disturbance to avian wildlife by human activities and to assess the effectiveness of protected areas.

Abstract

Rosa majalis Herrm. (Rosaceae) is a shrub widespread throughout Eurasia. In West Siberia, it is cultivated as an ornamental plant and raw material for the manufacture of fruit multivitamin concentrates. Meanwhile, metabolites and biological activities of its roots are poorly studied. The aim of this investigation was to evaluate the potential of ethyl acetate (EtOAc), butanol (ButOH), aqueous ethanol (EtOH), and aqueous (H₂O) extracts of R. majalis roots as sources of antioxidant and anti-influenza compounds. Spectrophotometry and HPLC were used for metabolite quantification. Antioxidant activities were determined via the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay. The antiviral activities were assessed as half-maximal inhibitory concentrations (IC₅₀). The EtOAc extract manifested the highest concentrations of phenolic compounds (53.79 mg g⁻¹ of dry extract) and saponins (48.92 mg g⁻¹). Total gallic acid was the main phenolic compound in all extracts (24.98–38.68 mg g⁻¹). Catechin, free ellagic acid, and total ellagic acid had the highest levels in the EtOAc, H₂O, and EtOH extracts, respectively (30.83, 22.38, and 34.95 mg g⁻¹). The EtOAc extract showed the highest free-radical scavenging activity (2.31 trolox equivalents) and anti-influenza effects (IC₅₀ 61.8 and 50.3 µg mL⁻¹) against A/Aichi/2/68 (H3N2) and A/Chicken/05/2005 (H5N1), respectively. Our findings indicate good potential of these extracts for drug design against free-radical damage and influenza virus.

Candida albicans is an opportunistic fungal pathogen that lives as a commensal microorganism that transforms into a pathogenic form and builds a protective community called biofilms upon getting favorable conditions. The narrow range and debilitated efficiency of drug arsenals against the limited druggable target of C. albicans attracted the attention of researchers around the globe. From the proteomic database of C. albicans, 261 proteins playing functional roles during biofilm development were scrutinized through a literature survey. Upon further scrutiny, the proteins were first checked for non-homology with human proteome. After the establishment of non-homology, the protein's essentiality was established by constructing a protein–protein interaction network. Essentiality was found with two different confidence scores [High (0.7) and Highest (0.9)], and 45 and 15 proteins were selected, respectively. The highest confidence scorer 15 proteins were 3D modeled, and ligand binding grooves were predicted after structural validation. Lastly, the half-life of these 15 essential proteins was deduced, and expression levels during biofilm development were measured through a literature survey and web databases. Through the in-silico application, we established the 15 proteins as new druggable targets. The result of the study could further indicate the design of some effective antifungal drug candidates. However, these potential druggable targets need to be extended in vitro experiments and validation.

Groundwater in India is a critical resource, particularly in semi-arid regions of the country like Rajasthan. The deteriorated quality of surface water has led to the over-exploitation of groundwater, resulting in the drying up of shallow wells and deepening of groundwater levels. The increasing demand for water and drilling cost for boreholes have generated a prior need for exploration, monitoring, and assessment of groundwater aquifers in water-scarce agriculture-intensive areas. Identifying suitable aquifers is important; however, the emissions associated with the extraction of water from these aquifers should not be overlooked as fuel-aided extraction is a significant source of carbon emissions. A geophysical investigation based on electrical resistivity imaging using the dipole–dipole configuration was conducted in the agricultural belt of Alwar district, Rajasthan to detect aquifer depth and its hydrogeological characteristics. Resistivity survey data indicate the presence of a shallow alluvial aquifer at a depth of 9 m. The resistivity of the aquifer ranges from 15 to 84 Ωm, indicating that the soil is saturated with water in its weathered layer with a thin clay layer surrounding the saturated water zones. The groundwater and surface water represent high chemical variability which depicts that groundwater has deep meteoric percolation and subsurface geology has played a key role in regulating the water quality. Further, it was observed that electric and diesel pumps contribute significantly to carbon footprint with the values ranging from 249 to 1476 kgC/ha-yr and 60 to 266 kgC/ha-yr, respectively. Solar pumps can be a sustainable option to meet the target toward decarbonization with no emissions involved. The study concludes that solar pumping of groundwater is an important intervention for decarbonisation in agriculture sector along with judicious management interventions, improved methods of irrigation, and sustainable use of groundwater to ensure water availability and environmental quality in the region.