Abstract: In this theoretical study, we assess the impact of a graphene capping layer on the resistivity of defective, extremely scaled interconnects. We investigate the effect of graphene capping on the electronic transport in ultrascaled interconnects, in the presence of grain boundary defects in the metal layer. We compare the results obtained using our quantum mechanical model to a simple parallel-conductor model and find that the parallel-conductor model does not capture the effect of the graphene cap correctly. At 0.5 nm metal thickness, the parallel-conductor model underestimates the conductivity by 3.0% to 4.0% for single-sided and double sided graphene capping, respectively.

Abstract: A portable and highly sensitive sensor was designed for the specific detection of 3,4-methyl-enedioxy-methamphetamine (MDMA), in a range of field-testing situations. The sensor can detect MDMA in street samples, even when other controlled substances drugs, or adulterants are present. In this work, we report for the first time a sensor using electroactive molecularly imprinted polymer nanoparticles computationally designed to recognize MDMA and then produced using solid phase synthesis. A composite comprising chitosan, reduced graphene oxide, and molecularly imprinted polymer nanoparticles synthesized for MDMA for the first time was immobilized on screen-printed carbon electrodes. The sensors displayed a satisfactory sensitivity (106.8 nA x mu M-1), limit of detection (1.6 nM; 0.31 ng/mL), and recoveries (92-99%). The accuracy of the results was confirmed through validation using Ultra-High Performance Liquid Chromatography coupled with tandem Mass Spectrometry (UPLC-MS/MS). This technology could be used in forensic analysis and make it possible to selectively detect MDMA in street samples. A highly sensitive and portable sensor has been developed to detect MDMA in street samples. It uses electroactive molecularly imprinted polymer nanoparticles computationally designed to recognize MDMA, which were immobilized on screen-printed carbon electrodes with chitosan and graphene. The sensor showed good sensitivity and satisfactory recoveries (92-99%), confirmed with UPLC-MS/MS validation. This technology has the potential to be used in forensic analysis.image

Abstract: This study examines five benzyl alcohol derivatives and three chemically similar compounds and compares them against benzyl alcohol in gelled emulsions for the removal of overpaint during cleaning of oil paintings. Comparative cleaning tests using xanthan gels, Pemulen® TR-2 gels, and neat solvent were made on overpaint on fragments of a seventeenth-century test painting. This approach demonstrated that molecular changes to a benzyl alcohol core resulted in enhanced control during the cleaning process. In some cases a benzyl alcohol derivative enabled selective removal of non-original material, when benzyl alcohol appeared to affect the original paint. Select derivatives were also tested in an area of overpaint on a sixteenth-century oil on panel painting by Jan van Scorel in the Rijksmuseum Collection through modifying the chemical activity of benzyl alcohol. Finally, two GC-MS-based methods were used to monitor benzyl alcohol retention and possible oxidation in paint layers post-treatment.

Abstract: Gian Giacomo Inchiocchio (1604-1656), better known as Barbelli, was one of the main exponents of Lombard painting of the seventeenth century. A large body of work is attributed to him, encompassing a wide range of drawings, murals, and oil paintings. However, despite his broad production, there are still many open questions regarding his painting techniques and materials. In this paper, a multi-analytical study of the cycle Stories of the life of Saint George that originally decorated the presbytery of the parish church of Casaletto Vaprio (Cremona, Italy) was performed, combining non-invasive techniques with the characterisation of selected micro samples. Results show that Barbelli used a very limited number of inorganic pigments, often mixing them together to create different colours and shades. Remains of caseinate and degradation products (i.e. weddellite and whewellite) related to the strappo intervention were also highlighted. The study helped to decipher the materials and technique of this painting, providing data that can be used as a reference to study his extensive production.

Abstract: Mixed-halide perovskites show promising applications in tandem solar cells owing to their adjustable bandgap. One major obstacle to their commercialization is halide phase segregation, which results in large open-circuit voltage deficiency and J-V hysteresis. However, the ambiguous interplay between structural origin and phase segregation often results in aimless and unspecific optimization strategies for the device's performance and stability. An atomic scale is directly figured out the abundant Ruddlesden-Popper anti-phase boundaries (RP-APBs) within a CsPbIBr2 polycrystalline film and revealed that phase segregation predominantly occurs at RP-APB-enriched interfaces due to the defect-mediated lattice strain. By compensating their structural lead halide, such RP-APBs are eliminated, and the decreasing of strain can be observed, resulting in the suppression of halide phase segregation. The present work provides the deciphering to precisely regulate the perovskite atomic structure for achieving photo-stable mixed halide wide-bandgap perovskites of high-efficiency tandem solar cell commercial applications. The phase segregation in mixed halide perovskite film predominantly occurs at Ruddlesden-Popper anti-phase boundaries (RP-APBs)-enriched interfaces due to the defect-mediated lattice strain. The RP-APBs defects can be eliminated by compensating for their structural lead halide deficiency, resulting in the suppression of halide phase segregation. image

Abstract: Coupling photosensitizers (PSs) with plasmonic nanoparticles increases the photocatalytic activity of PSs as the localized surface plasmon resonance (LSPR) of plasmonic nanoparticles leads to extreme concentration of light in their vicinity known as the near-field enhancement effect. To realize this in a colloidal phase, efficient conjugation of the PS molecules with the plasmonic nanoparticle surface is critical. In this work, we demonstrate the coupling of phthalocyanine (Pc) molecules with gold nanoparticles (AuNPs) in the colloidal phase via click chemistry. This conjugated Pc-AuNPs colloidal system is shown to enhance the photocatalytic singlet oxygen (1O2) production over non-conjugated Pcs and hence improve the photoelectrochemical detection of phenols. The plasmonic enhancement of the 1O2 generation by Pcs was clearly elucidated by complementary experimental and computational classical electromagnetic models. The dependence of plasmonic enhancement on the spectral position of the excitation laser wavelength and the absorbance of the Pc molecules with respect to the wavelength specific near-field enhancement is clearly demonstrated. A high similar to 8 times enhancement is obtained with green laser (532 nm) at the LSPR due to the maximum near-field enhancement at the resonance wavelength. Zinc phthalocyanine is covalently linked to plasmonic AuNPs via click chemistry to investigate the synergistic effect that boosts the overall activity toward the detection of HQ under visible light illumination. The 1O2 quantum yield of ZnPc improved significantly after conjugating with AuNPs, resulting in enhanced photoelectrochemical activity. image

Abstract: Plasma medicine has attracted tremendous interest in a variety of medical conditions, ranging from wound healing to antimicrobial applications, even in cancer treatment, through the interactions of cold atmospheric plasma (CAP) and various biological tissues directly or indirectly. The underlying mechanisms of CAP treatment are still poorly understood although the oxidative effects of CAP with amino acids, peptides, and proteins have been explored experimentally. In this study, machine learning (ML) technology is introduced to efficiently unveil the interaction mechanisms of amino acids and reactive oxygen species (ROS) in seconds based on the data obtained from the reactive molecular dynamics (MD) simulations, which are performed to probe the interaction of five types of amino acids with various ROS on the timescale of hundreds of picoseconds but with the huge computational load of several days. The oxidative reactions typically start with H-abstraction, and the details of the breaking and formation of chemical bonds are revealed; the modification types, such as nitrosylation, hydroxylation, and carbonylation, can be observed. The dose effects of ROS are also investigated by varying the number of ROS in the simulation box, indicating agreement with the experimental observation. To overcome the limits of timescales and the size of molecular systems in reactive MD simulations, a deep neural network (DNN) with five hidden layers is constructed according to the reaction data and employed to predict the type of oxidative modification and the probability of occurrence only in seconds as the dose of ROS varies. The well-trained DNN can effectively and accurately predict the oxidative processes and productions, which greatly improves the computational efficiency by almost ten orders of magnitude compared with the reactive MD simulation. This study shows the great potential of ML technology to efficiently unveil the underpinning mechanisms in plasma medicine based on the data from reactive MD simulations or experimental measurements. In this study, since reactive molecular dynamics simulation can currently only describe interactions between a few hundred atoms in a few hundred picoseconds, deep neural networks (DNN) are introduced to enhance the simulation results by predicting more data efficiently. image

Abstract: Farmers should increasingly adopt more water‐efficient irrigation technologies—such as drip irrigation—as a result of climate warming and aggravating water scarcity. We analyze how Italian farmers adapt to climate change by changing their irrigation technology mix. We apply a two‐stage econometric model to data from 5876 Italian farms. We find that farmers' initial reaction to increasing temperatures is reducing their surface‐irrigated fractions. When temperatures increase further, farmers switch toward more sprinkler irrigation. Our results show that farmers are not autonomously moving to drip irrigation in response to climate change, suggesting that government incentives are needed to encourage this transition.

Abstract: New Cinema History broadened film studies by emphasising the complexity of cinema as a multifaceted phenomenon that includes the socio-economic context in which films were made, circulated, shown and received. As part of the digital turn, the discipline adopted computational methods and created quantitative research data to research this socio-economic context at scale. However, not all datasets created in this context adhere to FAIR principles, decreasing their reusability. By reconciling 14 cinema-related datasets, Cinema Belgica facilitates research into the history of Belgian cinema. This research paper documents and critically reflects on the choices made when selecting, modelling and reconciling information for the Cinema Belgica database.

Abstract: This study introduces solid-state tuning of a mesostructured cellular foam (MCF) to enhance hydrogen (H-2) storage in clathrate hydrates. Grafting of promoter-like molecules (e.g., tetrahydrofuran) at the internal surface of the MCF resulted in a substantial improvement in the kinetics of formation of binary H-2-THF clathrate hydrate. Identification of the confined hydrate as sII clathrate hydrate and enclathration of H-2 in its small cages was performed using XRD and high-pressure H-1 NMR spectroscopy respectively. Experimental findings show that modified MCF materials exhibit a similar to 1.3 times higher H-2 storage capacity as compared to non-modified MCF under the same conditions (7 MPa, 265 K, 100% pore volume saturation with a 5.56 mol% THF solution). The enhancement in H-2 storage is attributed to the hydrophobicity originating from grafting organic molecules onto pristine MCF, thereby influencing water interactions and fostering an environment conducive to H-2 enclathration. Gas uptake curves indicate an optimal tuning point for higher H-2 storage, favoring a lower density of carbon per nm(2). Furthermore, a direct correlation emerges between higher driving forces and increased H-2 storage capacity, culminating at 0.52 wt% (46.77 mmoles of H-2 per mole of H2O and 39.78% water-to-hydrate conversions) at 262 K for the modified MCF material with fewer carbons per nm(2). Notably, the substantial H-2 storage capacity achieved without energy-intensive processes underscores solid-state tuning's potential for H-2 storage in the synthesized hydrates. This study evaluated two distinct kinetic models to describe hydrate growth in MCF. The multistage kinetic model showed better predictive capabilities for experimental data and maintained a low average absolute deviation. This research provides valuable insights into augmenting H-2 storage capabilities and holds promising implications for future advancements.

Abstract: Appropriate use of agricultural technologies and diversifying the farming activities is critical to addressing food security problems in Africa, including Ethiopia. The country is experimenting with the new Agricultural Innovation System (AIS) approach alongside the well-established Transfer of Technology (ToT) approach. This paper analyzes the gaps between policy discourses (as reflected in policy documents and strategic orientation documents) and extension practices (as reflected in the daily exchanges between farmers and the frontline staff of the Ethiopian extension system). It provides insights into the challenges faced and emphasizes the need for better coordination between policy formulation and implementation to enhance extension services. Policymakers, practitioners, and researchers can benefit from the valuable perspectives the findings offer. The study contributes to understanding the relationship between policy discourses and extension practices, and its implications can inform policy design and implementation in similar contexts. A qualitative research approach was deployed to analyze policy discourse and practice. Data were collected in Fogera, a district in Northwest Ethiopia, between August 2018 and February 2019. The data for the paper were obtained from 23 Focus Group Discussions conducted with men and women. 13 Informant Interviews (KIIs) were also carried out with personnel at different levels of government agricultural services and departments. Transcripts of recordings of the Focus Group Discussions (FGDs) and Key Informant Interviews (KIIs) were analyzed using a deductive approach. The study focuses on rice crops in the Fogera district, which are crucial for food security and reducing poverty. Although the geographic area is limited, the results can be used to improve the extension system in other areas facing similar challenges. Specifically, the study suggests switching from the traditional transfer of technology approach to the agricultural innovation system approach. Furthermore, the study's techniques, such as qualitative interviews, may have limitations and not fully capture the intricacies of policy and extension practices. The findings demonstrate that, although the policy documents strongly adhere to agricultural innovation system principles, top-down transfer of technology approaches continues to dominate in practice. Moreover, we have found potential discrepancies between the training content delivered and the specific needs of smallholder farmers. Practically, prescriptive systems are still used because agricultural innovation system approaches are not well understood by the Extension Agents. To realize a genuine agricultural innovation system, Ethiopia's extension apparatus should move forward with building committed and robust relationships between farmers, extension agents, researchers, private sectors, and non-governmental organizations. To this end, more research, enhanced training, and improved institutions are needed on what genuine agricultural innovation system could look like at the grass-roots level. This also includes understanding the roles that different actors within Ethiopia's development army should assume how a multi-actor policy dialogue can be organized.