Quantitative Analysis of the Synergy of Doping and Nanostructuring of Oxide Photocatalysts.

In this paper, the effect of doping and nanostructuring on the electrostatic potential across the electrochemical interface between a transition metal oxide and a water electrolyte is investigated by means of the Poisson-Boltzmann model. For spherical nanoparticles and nanorods, compact expressions for the limiting potentials at which the space charge layer includes the whole semiconductor are reported. We provide a quantitative analysis of the distribution of the potential drop between the solid and the liquid and show that the relative importance changes with doping.

Nonstabilizerness via Matrix Product States in the Pauli Basis.

Nonstabilizerness, also known as "magic," stands as a crucial resource for achieving a potential advantage in quantum computing. Its connection to many-body physical phenomena is poorly understood at present, mostly due to a lack of practical methods to compute it at large scales. We present a novel approach for the evaluation of nonstabilizerness within the framework of matrix product states (MPSs), based on expressing the MPS directly in the Pauli basis.

Drivers and impact of the 2021 extreme warm event in the tropical Angolan upwelling system.

Benguela Niños are extreme warm events that typically occur during the main downwelling season (austral fall) in the tropical Angolan upwelling system when the biological productivity is low. However, the extreme warm event that occurred between April and August 2021 stands out due to its late timing. It occurred and peaked during the main upwelling season in austral winter with sea surface temperature anomalies exceeding 2 °C in the Angola-Benguela area in June 2021.

Giant Graviton Expansion from Bubbling Geometry: Discreteness from Quantized Geometry.

The superconformal index of half-BPS states in N=4 supersymmetric Yang-Mills with gauge group U(N) admits an expansion in terms of giant gravitons, I_{N}(q)=I_{∞}(q)∑_{m=0}^{∞}q^{mN}I[over ^]_{m}(q), where m is the number of giant gravitons and I_{∞}(q) is the graviton index. The expansion can be viewed as the implementation of trace relations for finite N. We derive this expansion directly in supergravity from the class of half-BPS solutions due to Lin, Lunin, and Maldacena in type IIB supergravity.

Fluid-responsive tunable metasurfaces for high-fidelity optical wireless communication.

Optical wireless communication (OWC), with its blazing data transfer speed and unparalleled security, is a futuristic technology for wireless connectivity. Despite the significant advancements in OWC, the realization of tunable devices for on-demand and versatile connectivity still needs to be explored. This presents a considerable limitation in utilizing adaptive technologies to improve signal directivity and optimize data transfer.

Stabilization of Short- and Long-Range Magnetic Ordering through the Cooperative Effect of 1D [CuO] Chains and [CuOX] Quadrilateral in Quasi-1D Spin-1/2 Systems.

Quasi-1D chain antiferromagnets with reduced structural dimensionality are a rich playground for investigating novel quantum phenomena. We report the synthesis, crystal structure, and magnetism of two novel quasi-1D antiferromagnets, β-PbCu(TeO)Cl (I) and PbCu(TeO)Br (II). Their magnetic frameworks are constructed via Cu-based quasi-1D [Cu(2)O] zigzag chains with square-planar [Cu(1)OX] (X=Cl or Br) separated among 1D chains.

An increase in global daily precipitation records in response to global warming based on reanalysis and observations.

Understanding trends in extreme precipitation events in the context of global warming is critical for assessing climate change impacts. This study employs a novel methodology developed by Giorgi and Ciarlo (2022) to analyze record-breaking daily precipitation events from 1980 to 2020, utilizing three reanalysis products (ERA5, MERRA-2, and JRA-55) and one global observation dataset (MSWEP). Our results indicate a consistent and statistically significant increase in record-breaking precipitation events globally, with variations across different latitude bands and between land and ocean areas.

Network science: Ising states of matter.

Network science provides very powerful tools for extracting information from interacting data. Although recently the unsupervised detection of phases of matter using machine learning has raised significant interest, the full prediction power of network science has not yet been systematically explored in this context. Here we fill this gap by providing an in-depth statistical, combinatorial, geometrical, and topological characterization of 2D Ising snapshot networks (IsingNets) extracted from Monte Carlo simulations of the 2D Ising model at different temperatures, going across the phase transition.

Maximally informative feature selection using Information Imbalance: Application to COVID-19 severity prediction.

Clinical databases typically include, for each patient, many heterogeneous features, for example blood exams, the clinical history before the onset of the disease, the evolution of the symptoms, the results of imaging exams, and many others. We here propose to exploit a recently developed statistical approach, the Information Imbalance, to compare different subsets of patient features and automatically select the set of features that is maximally informative for a given clinical purpose, especially in minority classes. We adapt the Information Imbalance approach to work in a clinical framework, where patient features are often categorical and are generally available only for a fraction of the patients.

Stability, Chemical Bonding, and Electron Lone Pair Localization in AsN at High Pressure by Density Functional Theory Calculations.

The covalent bonding framework of crystalline single-bonded cubic AsN, recently synthesized under high pressure and high temperature conditions in a laser-heated diamond anvil cell, is here studied by means of density functional theory calculations and compared to single crystal X-ray diffraction data. The precise localization of the nonbonding electron lone pairs and the determination of their distances and orientations are related to the presence of characteristic structural motifs and space regions of the unit cell dominated by repulsive electronic interactions, with the relative orientation of the electron lone pairs playing a key role in minimizing the energy of the structure. We find that the vibrational modes associated with the expression of the lone pairs are strongly localized, an observation that may have implications for the thermal conductivity of the compound.

Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method.

Recent experimental findings reveal nonconventional fluorescence emission in biological systems devoid of conjugated bonds or aromatic compounds, termed (NAF). This phenomenon is exclusive to aggregated or solid states and remains absent in monomeric solutions. Previous studies focused on small model systems in vacuum show that the carbonyl stretching mode along with strong interaction of short hydrogen bonds (SHBs) remains the primary vibrational mode explaining NAF in these systems.

Incorporating plan complexity into the statistical process control of volumetric modulated arc therapy pre-treatment verifications.

Background: Statistical process control (SPC) is a powerful statistical tool for process monitoring that has been highly recommended in healthcare applications, including radiation therapy quality assurance (QA). The AAPM TG-218 report described the clinical implementation of SPC for Volumetric Modulated Arc Therapy (VMAT) pre-treatment verifications, pointing out the need to adjust tolerance limits based on plan complexity. However, the quantification of plan complexity and its integration into SPC remains an unresolved challenge.

The effect of explicit convection on simulated malaria transmission across Africa.

Malaria transmission across sub-Saharan Africa is sensitive to rainfall and temperature. Whilst different malaria modelling techniques and climate simulations have been used to predict malaria transmission risk, most of these studies use coarse-resolution climate models. In these models convection, atmospheric vertical motion driven by instability gradients and responsible for heavy rainfall, is parameterised.

Unrevealing the Nitrogen Elusive Chirality of 3-Sulfanyl and 3-Sulfinyl N-Tosyl Isoindolinones by ECD Spectra: An Experimental and Theoretical Investigation.

The nitrogen-hybridization/pyramidalization of two solvated N-tosylisoindolinone derivatives having chiral residues in adjacent (I) or adjacent and distal (II) position has been investigated by a theoretical-computational procedure based on Molecular Dynamics simulations and Quantum-Chemical calculations. After validation of our methodology in providing a reliable repertory of conformations by modeling the electronic circular dichroism (EDC) spectra, the electronic features associated with N-pyramidalization were further characterized through Natural Bond Order (NBO) analysis. Comparing against the N-geometry observed in crystal structures as a reference, our findings reveal that the presence of neighbouring chiral centers induces a more pronounced N-pyramidalization in solution than in the solid state, both in I and II.

Climate-influenced vector-borne diseases in Africa: a call to empower the next generation of African researchers for sustainable solutions.

We look at the link between climate change and vector-borne diseases in low- and middle-income countries in Africa. The large endemicity and escalating threat of diseases such as malaria and arboviral diseases, intensified by climate change, disproportionately affects vulnerable communities globally. We highlight the urgency of prioritizing research and development, advocating for robust scientific inquiry to promote adaptation strategies, and the vital role that the next generation of African research leaders will play in addressing these challenges.

Diversity begets stability: Sublinear growth and competitive coexistence across ecosystems.

The worldwide loss of species diversity brings urgency to understanding how diverse ecosystems maintain stability. Whereas early ecological ideas and classic observations suggested that stability increases with diversity, ecological theory makes the opposite prediction, leading to the long-standing "diversity-stability debate." Here, we show that this puzzle can be resolved if growth scales as a sublinear power law with biomass (exponent <1), exhibiting a form of population self-regulation analogous to models of individual ontogeny.

Sticky issues in turbulent transport.

We investigate the role of partial stickiness among particles or with a surface for turbulent transport. For the former case, we re-derive known results for the case of the compressible Kraichnan model by using a method based on bi-orthogonality for the expansion of the propagator in terms of left and right eigenvectors. In particular, we show that enforcing the constraints of orthogonality and normalization yields results that were previously obtained by a rigorous, yet possibly less intuitive method.

Thermodynamic probes of life.

Nonequilibrium fluctuations reveal nonuniform heat dissipation in living cells.

Eco-evolutionary dynamics: The repeatability of diversification in an experimental microbial community.

Understanding the evolution and subsequent maintenance of ecological diversity is a daunting task. Using a historical microbial evolution experiment, a new paper demonstrates the extent to which diversity can re-emerge in reduced communities and the traits through which rediversification occurs.

Machine learning at the mesoscale: A computation-dissipation bottleneck.

The cost of information processing in physical systems calls for a trade-off between performance and energetic expenditure. Here we formulate and study a computation-dissipation bottleneck in mesoscopic systems used as input-output devices. Using both real data sets and synthetic tasks, we show how nonequilibrium leads to enhanced performance.

Ability of a dynamical climate sensitive disease model to reproduce historical Rift Valley Fever outbreaks over Africa.

Rift Valley Fever (RVF) is a zoonosis transmitted by Aedes and Culex mosquitoes, and is considered a priority pathogen by the WHO. RVF epidemics mostly occur in Africa and can decimate livestock herds, causing significant economic losses and posing health risks for humans. RVF transmission is associated with the occurrence of El Niño events that cause floods in eastern Africa and favour the emergence of mosquitoes in wetlands.

Risk factors for tick attachment in companion animals in Great Britain: a spatiotemporal analysis covering 2014-2021.

Background: Ticks are an important driver of veterinary health care, causing irritation and sometimes infection to their hosts. We explored epidemiological and geo-referenced data from > 7 million electronic health records (EHRs) from cats and dogs collected by the Small Animal Veterinary Surveillance Network (SAVSNET) in Great Britain (GB) between 2014 and 2021 to assess the factors affecting tick attachment in an individual and at a spatiotemporal level.

Methods: EHRs in which ticks were mentioned were identified by text mining; domain experts confirmed those with ticks on the animal.

The Role of Water Molecules on Polaron Behavior at Rutile (110) Surface: A Constrained Density Functional Theory Study.

Understanding the behavior of a polaron in contact with water is of significant importance for many photocatalytic applications. We investigated the influence of water on the localization and transport properties of polarons at the rutile (110) surface by constrained density functional theory. An excess electron at a dry surface favors the formation of a small polaron at the subsurface Ti site, with a preferred transport direction along the [001] axis.