Coulomb Contribution to Shockley-Read-Hall Recombination.

A nonradiative recombination channel is proposed, which does not vanish at low temperatures. Defect-mediated nonradiative recombination, known as Shockley-Read-Hall (SRH) recombination, is reformulated to accommodate Coulomb attraction between the charged deep defect and the approaching free carrier. It is demonstrated that this effect may cause a considerable increase in the carrier velocity approaching the recombination center.

Deep learning domain adaptation to understand physico-chemical processes from fluorescence spectroscopy small datasets and application to the oxidation of olive oil.

Fluorescence spectroscopy is a fundamental tool in life sciences and chemistry, with applications in environmental monitoring, food quality control, and biomedical diagnostics. However, analysis of spectroscopic data with deep learning, in particular of fluorescence excitation-emission matrices (EEMs), presents significant challenges due to the typically small and sparse datasets available. Furthermore, the analysis of EEMs is difficult due to their high dimensionality and overlapping spectral features.

Information Thermodynamics: From Physics to Neuroscience.

This paper provides a perspective on applying the concepts of information thermodynamics, developed recently in non-equilibrium statistical physics, to problems in theoretical neuroscience. Historically, information and energy in neuroscience have been treated separately, in contrast to physics approaches, where the relationship of entropy production with heat is a central idea. It is argued here that also in neural systems, information and energy can be considered within the same theoretical framework.

Role of EDTA protonation in chelation-based removal of mercury ions from water.

A robust method of hazardous metal ion removal from an aqueous environment involves the use of chelating agents, such as ethylenediaminetetraacetic acid (EDTA). Here, we focus on mercury (Hg) uptake by EDTA using both molecular dynamics and density functional theory simulations. Our results indicate that the deprotonation of the EDTA carboxylate groups improves the localization of negative charge on the deprotonated sites.

Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization.

Linear regression (LR) is used to predict thermochemical properties of alkanes at temperatures (0-1000) K to study chemical reaction equilibria inside zeolites. The thermochemical properties of C until C isomers reported by Scott are used as training data sets in the LR model which is used to predict these properties for alkanes longer than C isomers. Second-order groups are used as independent variables which account for the interactions between the neighboring groups of atoms.

CFN42 and 1021 bioinformatic transcriptional regulatory networks from culture and symbiosis.

CFN42 proteome-transcriptome mixed data of exponential growth and nitrogen-fixing bacteroids, as well as 1021 transcriptome data of growth and nitrogen-fixing bacteroids, were integrated into transcriptional regulatory networks (TRNs). The one-step construction network consisted of a matrix-clustering analysis of matrices of the gene profile and all matrices of the transcription factors (TFs) of their genome. The networks were constructed with the prediction of regulatory network application of the RhizoBindingSites database (http://rhizobindingsites.

Molecular dynamics simulation for phase transition of CsPbI3 perovskite with the Buckingham potential.

The CsPbI3 perovskite is a promising candidate for photovoltaic applications, for which several critical phase transitions govern both its efficiency and stability. Large-scale molecular dynamics simulations are valuable in understanding the microscopic mechanisms of these transitions, in which the accuracy of the simulation heavily depends on the empirical potential. This study parameterizes two efficient and stable empirical potentials for the CsPbI3 perovskite.

Deep unfolding network with spatial alignment for multi-modal MRI reconstruction.

Multi-modal Magnetic Resonance Imaging (MRI) offers complementary diagnostic information, but some modalities are limited by the long scanning time. To accelerate the whole acquisition process, MRI reconstruction of one modality from highly under-sampled k-space data with another fully-sampled reference modality is an efficient solution. However, the misalignment between modalities, which is common in clinic practice, can negatively affect reconstruction quality.

Economic viability requires higher recycling rates for imported plastic waste than expected.

The environmental impact of traded plastic waste hinges on how it is treated. Existing studies often use domestic or scenario-based recycling rates for imported plastic waste, which is problematic due to differences in recyclability and the fact that importers pay for it. We estimate the minimum required recycling rate (RRR) needed to break even financially by analysing import prices, recycling costs, and the value of recycled plastics across 22 leading importing countries and four plastic waste types during 2013-2022.

A Numerical Study of Crack Penetration and Deflection at the Interface Between Peritubular and Intertubular Dentin.

Dentin is a biological composite exhibiting multilevel hierarchical structure, which confers excellent damage tolerance to this tissue. Despite the progress in characterization of fracture behavior of dentin, the contribution of composite structure consisting of peritubular dentin (PTD), intertubular dentin (ITD) and tubules to fracture resistance remains elusive. In this study, calculations are carried out for energy release rate associated with crack propagation in the microstructure of dentin.

Cost-effectiveness and health impact of screening and treatment of Mycobacterium tuberculosis infection among formerly incarcerated individuals in Brazil: a Markov modelling study.

Background: Individuals who were formerly incarcerated have high tuberculosis incidence, but are generally not considered among the risk groups eligible for tuberculosis prevention. We investigated the potential health impact and cost-effectiveness of Mycobacterium tuberculosis infection screening and tuberculosis preventive treatment (TPT) for individuals who were formerly incarcerated in Brazil.

Methods: Using published evidence for Brazil, we constructed a Markov state transition model estimating tuberculosis-related health outcomes and costs among individuals who were formerly incarcerated, by simulating transitions between health states over time.

Delayed blow-up and enhanced diffusion by transport noise for systems of reaction-diffusion equations.

This paper is concerned with the problem of regularization by noise of systems of reaction-diffusion equations with mass control. It is known that solutions to such systems of PDEs may blow-up in finite time. Moreover, for many systems of practical interest, establishing whether the blow-up occurs or not is an open question.

Ocean wave energy harvesting with high energy density and self-powered monitoring system.

Constructing a ocean Internet of Things requires an essential ocean environment monitoring system. However, the widely distributed existing ocean monitoring sensors make it impractical to provide power and transmit monitored information through cables. Therefore, ocean environment monitoring systems particularly need a continuous power supply and wireless transmission capability for monitoring information.

Temperature-dependent ejection evolution arising from active and passive effects in DNA viruses.

Recent experiments have demonstrated that the ejection velocity of different species of DNA viruses is temperature dependent, potentially influencing the cellular infection mechanisms of these viruses. However, due to the challenge in quantifying the multiscale characteristics of DNA virus systems, there is currently a lack of systematic theoretical research on the temperature-dependent evolution of ejection dynamics. This work presents a multiscale model to quantitatively explore the temperature-dependent mechanical properties during the virus ejection process, and unveil the underlying mechanisms.

Validation of Citizen Science Meteorological Data: Can They Be Considered a Valid Help in Weather Understanding and Community Engagement?

Citizen science has emerged as a potent approach for environmental monitoring, leveraging the collective efforts of volunteers to gather data at unprecedented scales. Within the framework of the I-CHANGE project, MeteoTracker, a citizen science initiative, was employed to collect meteorological measurements. Through MeteoTracker, volunteers contributed to a comprehensive dataset, enabling insights into local weather patterns and trends.

Global stability and optimal control of an age-structured SVEIR epidemic model with waning immunity and relapses.

The efficacy of vaccination, incomplete treatment and disease relapse are critical challenges that must be faced to prevent and control the spread of infectious diseases. Age heterogeneity is also a crucial factor for this study. In this paper, we investigate a new age-structured SVEIR epidemic model with the nonlinear incidence rate, waning immunity, incomplete treatment and relapse.

Inferring phylogenetic networks from multifurcating trees via cherry picking and machine learning.

The Hybridization problem asks to reconcile a set of conflicting phylogenetic trees into a single phylogenetic network with the smallest possible number of reticulation nodes. This problem is computationally hard and previous solutions are limited to small and/or severely restricted data sets, for example, a set of binary trees with the same taxon set or only two non-binary trees with non-equal taxon sets. Building on our previous work on binary trees, we present FHyNCH, the first algorithmic framework to heuristically solve the Hybridization problem for large sets of multifurcating trees whose sets of taxa may differ.

Inspection of defects in composite structures using long pulse thermography and shearography.

Long pulse thermography (LPT) and shearography have been developed as primary methods for detecting debonding or delamination defects in composites due to their full-field imaging, non-contact operation, and high detection efficiency. Both methods utilize halogen lamps as the excitation source for thermal loading. However, the defects detected by the two techniques differ due to their distinct inspection mechanisms.

Solvability analysis for the Boussinesq model of heat transfer under the nonlinear Robin boundary condition for the temperature.

We consider the new boundary value problem for the generalized Boussinesq model of heat transfer under the inhomogeneous Dirichlet boundary condition for the velocity and under mixed boundary conditions for the temperature. It is assumed that the viscosity, thermal conductivity and buoyancy force in the model equations, as well as the heat exchange boundary coefficient, depend on the temperature. The mathematical apparatus for studying the inhomogeneous boundary value problem under study based on the variational method is being developed.

Nonautonomous spectral submanifolds for model reduction of nonlinear mechanical systems under parametric resonance.

We use the recent theory of spectral submanifolds (SSMs) for model reduction of nonlinear mechanical systems subject to parametric excitations. Specifically, we develop expressions for higher-order nonautonomous terms in the parameterization of SSMs and their reduced dynamics. We provide these results for both general first-order and second-order mechanical systems under periodic and quasiperiodic excitation using a multi-index based approach, thereby optimizing memory requirements and the computational procedure.

Sex contribution to average age at onset of Huntington's disease depends on the number of (CAG) repeats.

Huntington's disease (HD) is a hereditary neurodegenerative disorder caused by the extension of the CAG repeats in exon 1 of the HTT gene and is transmitted in a dominant manner. The present study aimed to assess whether patients' sex, in the context of mutated and normal allele length, contributes to age on onset (AO) of HD. The study population comprised a large cohort of 3723 HD patients from the European Huntington's Disease Network's REGISTRY database collected at 160 sites across 17 European countries and in one location outside Europe.