Search Results (180)

Policies aimed at reducing plant protection products (PPPs) are part of the UN’s 2030 Agenda for Sustainable Development. Sustainable management of PPPs is crucial for soil health, biodiversity, and ecosystem services, including food provision. While PPPs can control pests and enhance agricultural yields, they also pose environmental and health risks by contaminating water, soil, and non-target organisms through airborne drift. Investigating innovative and more sustainable distribution methods can support sustainability goals. This study aimed to evaluate the potential impact of the pesticide Spintor^® Fly on non-target soil organisms in olive orchards comparing two spraying methods: a traditional Casotti^® pump mounted on a tractor and an innovative Unmanned Aerial Vehicle (UAV) developed for the project. The study was conducted in 2021 in an organic olive orchard, which was divided into two plots: a Casotti-treated plot (CAS) and a drone-treated plot (DRO). A strip of uncultivated land at the edge of the orchard was used as a (non-treated) control plot (CAP). The impact on native soil microarthropod communities was assessed using the arthropod-based Soil Biological Quality Index (QBS-ar) and Bait Lamina Test (BLT). Soil samples were collected for earthworm avoidance tests and soil chemical–physical analysis. The results obtained with QBS-ar and BLT indicated no significant differences between DRO and CAS, in both sampling periods (pre- and post-treatment). However, DRO generally exhibited slightly better performance than CAS. The avoidance behaviour was confirmed for both CAS and DRO, although it was lower for the latter. Overall, drone aerial spray performed slightly better, suggesting a potentially lower impact on soil communities. Our results provide initial clues for the sustainable use of drones in agriculture with no increased risks for soil health compared to traditional methods. Further long-term studies should be conducted to validate these findings and possibly confirm the long-term benefits of drone applications compared to traditional methods. Full article

In the analytical quality by design (AQbD) framework, the design of experiments (DOE) plays a very important role, as it provides information about how experimental input variables influence critical method attributes. Based on the information obtained from the DOE, mathematical models are generated and used to build the method operable design region (MODR), which is a robust region of operability. Data treatment steps are usually carried out in software such as Fusion QbD, Minitab, or StaEase 360, among others. Although there are many studies in the literature that use the DOE, none of them address important aspects of data treatment for optimization and MODR generation and compare different software calculations. The purpose of this study is to contribute to a better understanding of data treatment aspects that are frequently misread or not fully understood, such as model selection, ANOVA results, and residual analysis. The discussion will be guided by the separation of curcuminoids, using ultra-high performance liquid chromatography and eight quality attributes as responses. This study highlights the importance of carefully selecting and evaluating models, as they significantly influence the generation of the MODR. Moreover, the findings emphasize that it is essential to incorporate uncertainties into the contour plots to accurately determine the MODR in compliance with the ICH Q14 guidelines and USP General Chapter <1220>. Full article

Background/Objectives: Skin wrinkles result from a myriad of multifaceted processes involving intrinsic and extrinsic aging. To combat this effect, plant stem cells offer a renewable and eco-friendly source for various industries, including cosmeceuticals. Salvia miltiorrhiza (SM), which contains the bioactive compound Rosmarinic acid (RA) and has been proposed for its anti-wrinkle effect. Methods: In the present study, calli from SM were cultured and Quality by Design (QbD) was implemented to investigate the effect of different types and concentrations of elicitors; jasmonic acid (JA) and salicylic acid (SA). Both raised RA levels yet, jasmonic acid (50 µM) has resulted in the highest yield for RA, at 16 mg/g. A nanofiber patch was prepared and characterized in-vitro by the release percentage, drug content, swelling degree, scanning electron microscope, and surface roughness. Then, the anti-wrinkle effect of the patch was tested in a UV wrinkle-induced mouse model. Results: Interestingly, after treatment, there were visibly fewer wrinkles, and the skin was softer than in the untreated control group. This study suggests that the treatment exerted its effect through the Nrf2/Keap1 pathway, which plays a crucial role in cellular antioxidant protective processes. By activating this pathway through boosting Nrf2 and diminishing Keap1 cellular content, the nanofiber patch enhances the production of antioxidant enzymes, such as superoxide dismutase and glutathione peroxidase, enhancesglutathione, and reduces the skin lipid peroxidation, collectively indicating enhanced skin quality. Conclusions: In conclusion, this study highlights the importance of this formula as an anti-wrinkle treatment, and future clinical studies are recommended to further unveil the potential of this formula. Full article

Disaccharide trehalose has been proven in many cases to be particularly effective in preserving the functional and structural integrity of biological macromolecules. In this work, we studied its effect on the electron transfer reactions that occur in the chromatophores of the photosynthetic bacterium Cereibacter sphaeroides. In the presence of a high concentration of trehalose, following the activation of the photochemistry by flashes of light, a slowdown of the electrogenic reactions related to the activity of the photosynthetic reaction center and cytochtome (cyt) bc₁ complexes is observable. The kinetics of the third phase of the electrochromic carotenoid shift, due to electrogenic events linked to the reduction in cyt b_H heme via the low-potential branch of the cyt bc₁ complex and its oxidation by quinone molecule on the Q_i site, is about four times slower in the presence of trehalose. In parallel, the reduction in oxidized cyt (c₁ + c₂) and high-potential cyt b_H are strongly slowed down, suggesting that the disaccharide interferes with the electron transfer reactions of the high-potential branch of the bc₁ complex. A slowing effect of trehalose on the kinetics of the electrogenic protonation of the secondary quinone acceptor Q_B in the reaction center complex, measured by direct electrometrical methods, was also found, but was much less pronounced. The direct detection of carbohydrate content indicates that trehalose, at high concentrations, permeates the membrane of chromatophores. The possible mechanisms underlying the observed effect of trehalose on the electron/proton transfer process are discussed in terms of trehalose’s propensity to form strong hydrogen bonds with its surroundings. Full article

Background: Skin inflammation represents a hallmark of many skin conditions, from psoriasis to eczema. Here, we present a novel microemulsion formulation for delivering a low dose of potent immunosuppressant, tacrolimus, to the skin for local inflammation control. The efficacy of topically delivered tacrolimus in controlling skin inflammation can be enhanced by packaging it into microemulsions. Microemulsions are small-size, thermodynamically stable, and surfactant-rich emulsions that can enhance tissue penetration and local tissue retention of poorly soluble drugs, which can reduce dosing frequency and potentially improve patient compliance. Methods: We present a novel approach for microemulsion manufacturing that uses a combination of both low and high-energy methods. The microemulsion composition and manufacturing parameters were optimized by adopting Quality by Design methodologies. The FMECA (Failure, Mode, Effects, Criticality Analysis)-based risk assessment, D-optimal Design of Experiment (DoE), and statistical analysis of parameters impacting responses through the multiple linear regression (MLR) was implemented for identifying critical formulation and process parameters. Results: Through QbD strategy, a stable microemulsion with optimized drug loading that met all critical quality attributes (CQAs) was identified. The optimal microemulsion candidate was successfully scaled up three-fold with retained CQAs. The presented microemulsion showed a slow and extended drug release profile in vitro. Conclusions: Presented findings suggest that microemulsions are a promising novel approach for tacrolimus delivery to the skin. Further, we also demonstrated that a combination of low-energy emulsification and microfluidization processes can produce stable and robust microemulsions with small droplet size that can be implemented in drug delivery of poorly soluble anti-inflammatory drugs. To the best of our knowledge, this is the first report of QbD-driven optimization of microemulsion manufacturing by microfluidization. Full article

The Balun Mahai Basin (BLMH), located in the northern Qaidam Basin (QB), is endowed with substantial brine resources; however, the genetic mechanisms and potential of these brine resources remain inadequately understood. This study investigated the intercrystalline brine (inter-brine) in BLMH, performing a comprehensive geochemical analysis of elemental compositions and H-O-Sr isotopes. It evaluated the water source, solute origin, evolutionary process, and genetic model associated with this brine. Moreover, a mass balance equation based on the ⁸⁷Sr/⁸⁶Sr isotopic ratio was developed to quantitatively evaluate the contributions of Ca-Cl water and river water to the inter-brine in the study area. The results suggest that the hydrochemical type of inter-brine in the north part of BLMH is Cl-SO₄-type and in the south part is Ca-Cl-type. The solutes in brine are mainly derived from the dissolution of minerals such as halite, sylvite, and gypsum. The hydrochemical process of brine is controlled by evaporation concentration, water–rock interaction, and ion exchange interaction. Hydrogen and oxygen isotopes suggest that the inter-brine originates from atmospheric precipitation or ice melt water and has experienced intense evaporation concentration and water–rock interaction. The strontium isotopes suggest that the inter-brine was affected by the recharge and mixing of Ca-Cl water and river water, which controlled the spatial distribution and formation of brine hydrochemical types. The analysis of ionic ratios suggest that the inter-brine is derived from salt dissolution and filtration, characterized by poor sealing and short sealing time in the salt-bearing formation. The differences in hydrochemical types and spatial distribution between the north and the south are fundamentally related to the replenishment and mixing of these two sources, which can be summarized as mixed origin model of “dissolution and filtration replenishment + deep replenishment” in BLMH. Full article

The pH dependence of the free energy level of the flash-induced primary charge pair P⁺I_A⁻ was determined by a combination of the results from the indirect charge recombination of P⁺Q_A⁻ and from the delayed fluorescence of the excited dimer (P*) in the reaction center of the photosynthetic bacterium Rhodobacter sphaeroides, where the native ubiquinone at the primary quinone binding site Q_A was replaced by low-potential anthraquinone (AQ) derivatives. The following observations were made: (1) The free energy state of P⁺I_A⁻ was pH independent below pH 10 (–370 ± 10 meV relative to that of the excited dimer P*) and showed a remarkable decrease (about 20 meV/pH unit) above pH 10. A part of the dielectric relaxation of the P⁺I_A⁻ charge pair that is not insignificant (about 120 meV) should come from protonation-related changes. (2) The single exponential decay character of the kinetics proves that the protonated/unprotonated P⁺I_A⁻ and P⁺Q_A⁻ states are in equilibria and the rate constants of protonation k_on^H +k_off^H are much larger than those of the charge back reaction k_back ~10³ s⁻¹. (3) Highly similar pH profiles were measured to determine the free energy states of P⁺Q_A⁻ and P⁺I_A⁻, indicating that the same acidic cluster at around Q_B should respond to both anionic species. This was supported by model calculations based on anticooperative proton distribution in the cluster with key residues of GluL212, AspL213, AspM17, and GluH173, and the effect of the polarization of the aqueous phase on electrostatic interactions. The larger distance of I_A⁻ from the cluster (25.2 Å) compared to that of Q_A⁻ (14.5 Å) is compensated by a smaller effective dielectric constant (6.5 ± 0.5 and 10.0 ± 0.5, respectively). (4) The P* → P⁺Q_A⁻ and I_A⁻Q_A → I_AQ_A⁻ electron transfers are enthalpy-driven reactions with the exemption of very large (>60%) or negligible entropic contributions in cases of substitution by 2,3-dimethyl-AQ or 1-chloro-AQ, respectively. The possible structural consequences are discussed. Full article

The intramolecular H-migration reaction of R^IOR^IIOO· radicals constitute a key class of reactions in the low-temperature combustion mechanism of ethers. Despite this, there is a dearth of direct computations regarding the potential energy surface and rate constants specific to ethers, especially when considering large molecular systems and intricate branched-chain structures. Furthermore, combustion kinetic models for large molecular ethers generally utilize rate constants derived from those of structurally similar alcohols or alkane fuels. Consequently, chemical kinetic studies involve the calculation of energy barriers and rate rules for the intramolecular H-migration reaction class of R^IOR^IIOO· radicals, which are systematically conducted using the isodesmic reaction method (IRM). The geometries of the species participating in these reactions are optimized, and frequency calculations are executed using the M06–X method in tandem with the 6–31+G(d,p) basis set by the Gaussian 16 program. Moreover, the M06–2X/6–31+G(d,p) method acts as the low-level ab initio method, while the CBS–QB3 method is utilized as the high-level ab initio method for calculating single-point energies. Rate constants at the high-pressure-limit are computed based on the reaction class transition state theory (RC-TST) by ChemRate program, incorporating asymmetric Eckart tunneling corrections for intramolecular H-migration reactions across a temperature range of 500 to 2000 K. It was found that the isodesmic reaction method gives accurate energy barriers and rate constants, and the rate constants of the H-migration reaction for R^IOR^IIOO· radicals diverge from those of comparable reactions in alkanes and alcohol fuels. There are significant disparities in energy barriers and rate constants across the entire reaction classes of the H-migration reaction for R^IOR^IIOO· radicals, necessitating the subdivision of the H-migration reaction into subclasses. Rate rules are established by averaging the rate constants of representative reactions for each subclass, which is pivotal for the advancement of accurate low-temperature combustion reaction mechanisms for ethers. Full article

The ecological impact of windthrow disturbance on humipedons and soil microarthropod communities is examined in two areas of the Italian Alps (Val di Fassa and Cansiglio) five years after the Vaia Storm. The following soil coverage conditions were identified: herbaceous vegetation (G), decaying wood (W), no vegetation (B) in windthrow areas; and these were compared with conditions in adjacent undisturbed intact forests (IF) and, only in Val di Fassa, with permanent meadows (M). Soil pH, soil organic matter content (SOM), humus systems and microarthropod communities were analyzed. In Val di Fassa, SOM loss was observed in windthrow areas vs. IF, moving toward a Mull humus system, while G evolved toward M-like conditions, W maintained a thicker O horizon and lower pH and B exhibited severe soil erosion and the lowest SOM. In Cansiglio, windthrow areas showed a slower transition to a Mull system, with a trend toward increasing pH and decreasing SOM. A clear relationship between microarthropod communities and humus systems could not be established because the consistency and biological origins of the humus diagnostic horizons were not considered. Microarthropod communities under different conditions exhibited significant dissimilarity, with varying responses across groups; Shannon and QBS-ar indices remained stable except for a significant decrease in B. Community dissimilarity thus appears to be enhanced by post-windthrow disturbance, suggesting that destructive windstorms may also present an opportunity for enriched microarthropod diversity. Full article

DnaJ proteins, also known as HSP40s, play a key role in plant growth and development, and response to environmental stress. However, little comprehensive research has been conducted on the DnaJ gene family in maize. Here, we identify 91 ZmDnaJ genes from maize, which are likely distributed in the chloroplast, nucleus, and cytoplasm. Our analysis revealed that ZmDnaJs were classified into three types, with conserved protein motifs and gene structures within the same type, particularly among members of the same subfamily. Gene duplication events have likely contributed to the expansion of the ZmDnaJ family in maize. Analysis of cis-regulatory elements in ZmDnaJ promoters suggested involvement in stress responses, growth and development, and phytohormone sensitivity in maize. Specifically, four cis-acting regulatory elements associated with stress responses and phytohormone regulation indicated a role in adaptation. RNA-seq analysis showed constitutive expression of most ZmDnaJ genes, some specifically in pollen and endosperm. More importantly, certain genes also responded to salt, heat, and cold stresses, indicating potential interaction between stress regulatory networks. Furthermore, early responses to heat stress varied among five inbred lines, with upregulation of almost tested ZmDnaJ genes in B73 and B104 after 6 h, and fewer genes upregulated in QB1314, MD108, and Zheng58. After 72 h, most ZmDnaJ genes in the heat-sensitive inbred lines (B73 and B104) returned to normal levels, while many genes, including ZmDnaJ55, 79, 88, 90, and 91, remained upregulated in the heat-tolerant inbred lines (QB1314, MD108, and Zheng58) suggesting a synergistic function for prolonged protection against heat stress. In conclusion, our study provides a comprehensive analysis of the ZmDnaJ family in maize and demonstrates a correlation between heat stress tolerance and the regulation of gene expression within this family. These offer a theoretical basis for future functional validation of these genes. Full article

The removal of nitrogen trifluoride (NF₃) is of significant importance in atmospheric chemistry, as NF₃ is an important anthropogenic greenhouse gas. However, the radical species OH and O(¹D) in atmospheric conditions are nonreactive towards NF₃. It is necessary to explore possible ways to remove NF₃ in atmosphere. Therefore, the participation of water molecules in the reaction of NF₃ with OH was discussed, as water is abundant in the atmosphere and can form very stable complexes due to its ability to act as both a hydrogen bond donor and acceptor. Systemic DFT calculations carried out at the CBS-QB3 and ωB97XD/aug-cc-pVTZ level of theory suggest that water molecules could affect the NF₃ + OH reaction as well. The energy barrier of the S_N2 mechanism was decreased by 8.52 kcal/mol and 10.58 kcal/mol with the assistance of H₂O and (H₂O)₂, respectively. Moreover, the presence of (H₂O)₂ not only reduced the energy barrier of the reaction, but also changed the product channels, i.e., formation of NF₂O + (H₂O)₂-HF instead of NF₂OH + (H₂O)₂-F. Therefore, the removal of NF₃ by reaction with OH is possible in the presence of water molecules. The results presented in this study should provide useful information on the atmospheric chemistry of NF₃. Full article

Microbial biosurfactants are considered environmentally friendly alternatives to synthetic surfactants in numerous applications. One of the main bottlenecks to their widespread use is the lack of effective processes for their production on an industrial scale. Biosurfactant production using conventional aerated bioreactors results in excessive foaming due to the combination of air injection and their tensioactive properties. A not widely explored approach to overcome this problem is the development of foam-free production processes, which require the identification and characterization of appropriate microorganisms. Bacillus licheniformis EL3 was evaluated for biosurfactant production under oxygen-limiting conditions in a bioreactor, using a mineral medium containing glucose as a carbon source and NaNO₃ and NH₄Cl as nitrogen sources. After optimizing the operational conditions, glucose concentration, and inoculum strategy, B. licheniformis EL3 produced 75 ± 3 mg biosurfactant/L in 43 h. The purified biosurfactant exhibited exceptional surface active properties, with minimum surface tension values (29 mN/m) and a critical micelle concentration (27 mg/L) similar to those achieved with commercial surfactin. Furthermore, biosurfactant yield per substrate (Y_P/S = 0.007 g biosurfactant/g glucose) was similar to the figures reported for Bacillus subtilis strains grown in similar conditions, whereas biosurfactant yield per biomass (Y_P/X = 0.755 g biosurfactant/g biomass) and specific biosurfactant productivity (q_BS = 0.018 g biosurfactant/(g biomass × h)) were almost three times higher when compared to previous reports. The results obtained indicate that B. licheniformis EL3 is a promising candidate for the development of foam-free biosurfactant production processes at an industrial scale. Full article

Soluble N-ethylmaleimide-sensitive factor attachment protein receptors (SNAREs) are central components of the machinery mediating cell membrane fusion and intracellular vesicular trafficking in eukaryotic cells, and have been well-documented to play critical roles in growth, development, and pathogenesis in the filamentous fungal plant pathogens. However, little is known about the contributions of SNAREs to the physiology and biocontrol potential in entomopathogenic filamentous fungi. Here, a genome-wide analysis of SNARE genes was performed taking advantage of the available whole genome sequence of Beauveria bassiana, a classical entomopathogenic fungus. Based on the compared genomic method, 22 genes encoding putative SNAREs were identified from the whole genome of B. bassiana, and were classified into four groups (7 Qa-, 4 Qb-, 6 Qc-, and 5 R-SNAREs) according to the conserved structural features of their encoding proteins. An R-SNARE encoding gene BbSEC22 was further functionally characterized by gene disruption and complementation. The BbSEC22 null mutant showed a fluffy appearance in mycelial growth and an obvious lag in conidial germination. The null mutant also exhibited significantly increased sensitivity to oxidative stress and cell wall perturbing agents and reduced the yield of conidia production by 43.1% compared with the wild-type strain. Moreover, disruption of BbSEC22 caused a significant decrease in conidial virulence to Spodoptera litura larvae. Overall, our results provide an overview of vesicle trafficking in B. bassiana and revealed that BbSec22 was a multifunctional protein associated with mycelial growth, sporulation, conidial germination, stress tolerance, and insecticidal virulence. Full article

The current study investigates public intentions to use an innovative, off-grid renewably powered EV charging technology called FEVER (Future Electric Vehicle Energy networks supporting Renewables). We report the findings of a questionnaire-based survey (QBS) conducted at a zoo in the south of England, exploring the prospect of demonstrating FEVER. The QBS was designed around a context-specific technology acceptance model (TAM) and administered both face-to-face (n = 63) and online (n = 158) from April to May 2023. The results indicate that most participants were willing to pay to use FEVER, particularly where revenue would benefit the zoo. The participants agreed they intended to use the chargers, and that they would be useful and easy to use. The participants agreed that there would be normative pressure to use the chargers, but that their use would be enjoyable. Of greatest concern was that the chargers would be blocked by others. The participants were ambivalent about concerns over charging duration and charge sufficiency. Structural equation modelling confirmed that the context-specific TAM explained 58% of people’s use intentions. The core relationships of the TAM were confirmed, with ‘perceived usefulness’ additionally predicted by subjective norms and ‘perceived ease of use’ additionally predicted by anticipated enjoyment. Of the other variables, only concern that the chargers would be blocked was retained as a marginal predictor of ‘perceived ease of use’. The implications of these findings for the co-design and demonstration of FEVER are discussed. Full article

We present the atomic structures and nonequilibrium synthesis of a new class of materials, where the basic structural unit is a diamond tetrahedron. When units of one, two, and three tetrahedra are randomly packed, we create distinct phases of amorphous Q-carbon. Four tetrahedra in two adjacent layers lead to crystalline diamond lattice, which has four missing tetrahedra alternately. When these four missing tetrahedra are filled, we create subunit cell of crystalline Q-diamond. Theoretical calculations show that the superconducting transition temperature (T_c) in 50 atomic % B-doped Q-diamond can reach room temperature at ambient pressures. This is consistent with our earlier results using low-loss EELS measurements in 50 atomic % B-doped Q-carbon, which had mostly amorphous QB3 phase mixed with some crystalline Q-diamond phase. These EELS results showed that the T_c for these samples was between 90 K and 300 K. Theoretical calculations of density of states, Eliashberg function, electron–phonon interaction parameter, and root-mean-square and logarithmic average of frequency in crystalline Q-diamond show T_c in the range of 268 K to 300 K, which is in complete agreement with our EELS results in QB3. Full article