Large Scale Raman Spectrum Calculations in Defective 2D Materials using Deep Learning.

We introduce a machine learning prediction workflow to study the impact of defects on the Raman response of 2D materials. By combining the use of machine-learned interatomic potentials, the Raman-active $\Gamma$-weighted density of states method and splitting configurations in independant patches, we are able to reach simulation sizes in the tens of thousands of atoms, with diagonalization now being the main bottleneck of the simulation. We apply the method to two systems, isotopic graphene and defective hexagonal boron nitride, and compare our predicted Raman response to experimental results, with good agreement.

Nanoparticles as Delivery Systems for Antigenic Saccharides: From Conjugation Chemistry to Vaccine Design.

Glycoconjugate vaccines have been effective in preventing numerous bacterial infectious diseases and have shown recent potential to treat cancers through active immunotherapy. Soluble polysaccharides elicit short-lasting immune responses and are usually covalently linked to immunogenic carrier proteins to enhance the antigen-specific immune response by stimulating T-cell-dependent mechanisms. Nonetheless, the conjugation of purified polysaccharides to carrier proteins complexifies vaccine production, and immunization with protein glycoconjugates can lead to the undesirable immunogenic interference of the carrier.

Identification of a non-canonical planar cell polarity pathway triggered by light in the developing mouse retina.

The coordinated spatial arrangement of organelles within a tissue plane, known as planar cell polarity (PCP), is critical for organ development and function. Gradients of morphogens and their receptors typically set-up PCP, but whether non-molecular cues, akin to phototropism in plants, also play a part remains unknown. Here, we report that basal bodies of newborn photoreceptor cells in the mouse retina are positioned centrally on the apical surface but then move laterally during the first postnatal week, generating cell-intrinsic asymmetry in the retinal plane.

Quality priorities related to the management of type 2 diabetes in primary care: results from the COMPAS + quality improvement collaborative.

Background: This study aims to describe the main type 2 diabetes mellitus (T2DM) quality improvement (QI) challenges identified by primary care teams in the province of Quebec who participated in the COMPAS + QI collaborative.

Methods: A qualitative descriptive design was used to analyse the results of 8 COMPAS + workshops conducted in 4 regions of the province between 2016 and 2020. Deductive content analysis was performed to classify the reported QI priorities under the Consolidated Framework for Implementation Research domains; and proposed change strategies under the Behavior Change Wheel (BCW) intervention functions.

An oxidative metal ions-free lignin-catalyzed multifunctional hydrogel bioelectronics for codable eye communication.

To meet the stringent requirements of wearable and flexible electronics for functionality and comfort, it is urgent to develop green conductive, self-adhesive, and stretchable functional hydrogels. The chelates of transition metal ions and lignosulfonate sodium (LS) can impart multi-functionality to the hydrogel and significantly improve the hydrogel's gelation speed. However, the presence of metal ions may weaken the adhesiveness of hydrogels by shielding the functional adhesive groups.

Fiscal externalities and underinvestment in early-life human capital: Optimal policy instruments for a developing country.

We study policy instruments to correct inefficiently low investment in maternal nutrition in India, where one-fifth of all births occur. We focus on fiscal externalities: healthier babies become more productive adults, who pay more tax. However, parents do not internalize this externality, which, combined with other distortions, results in mothers weighing too little during pregnancy.

Discovering Subtypes with Imaging Signatures in the Motoric Cognitive Risk Syndrome Consortium using Weakly-Supervised Clustering.

Introduction: Understanding the heterogeneity of brain structure in individuals with the Motoric Cognitive Risk Syndrome (MCR) may improve the current risk assessments of dementia.

Methods: We used data from 6 cohorts from the (N=1987). A weakly-supervised clustering algorithm called HYDRA was applied to volumetric MRI measures to identify distinct subgroups in the population with gait speeds lower than one standard deviation (1SD) above mean.

COVID-19 and its effects on food producers: panel data evidence from Burkina Faso.

Introduction: Burkina Faso implemented stringent measures in response to the COVID-19 pandemic that profoundly affected its economy and might have exacerbated food insecurity. While prior studies have assessed the impact of these measures on consumers, there is a dearth of evidence of its effects on food producers in Sub-Saharan Africa. This study aims (i) to evaluate the repercussions of COVID-19 on the possession of food production assets and on the number of livestock owned; and (ii) to determine the correlation between the food insecurity experience scale (FIES) score, ownership of these assets, and the number of livestock owned.

Enhancing Biological Control Efficacy: Insights into the Feeding Behavior and Fitness of the Omnivorous Pest .

(Palisot de Beauvois) (Hemiptera: Miridae), a true omnivorous insect, poses a significant threat to agriculture in the Neartic region. Understanding the feeding behavior of is crucial for developing integrated pest management strategies. This study aimed to evaluate the effects of different diets on the fitness of , with a focus on the diet source, feeding regime (phytophagy, zoophagy, and phytozoophagy), and number of diet items.

Robust unsupervised texture segmentation for motion analysis in ultrasound images.

Purpose: Ultrasound imaging has emerged as a promising cost-effective and portable non-irradiant modality for the diagnosis and follow-up of diseases. Motion analysis can be performed by segmenting anatomical structures of interest before tracking them over time. However, doing so in a robust way is challenging as ultrasound images often display a low contrast and blurry boundaries.

Hydrothermal synthesis of metal nanoparticles@hydrogels and statistical evaluation of reaction conditions' effects on nanoparticle morphologies.

We report a facile green hydrothermal synthesis (HTS) of monoliths of hydrogels decorated with noble metal nanoparticles (NPs). The one-pot approach requires solely water, a polysaccharide able to form a hydrogel, and a salt precursor (M-containing) for the metal NPs. The polysaccharide fulfills three roles: (i) it acts as the reducing agent of M to M under hydrothermal conditions, (ii) it stabilizes NPs surfaces, and (iii) it forms a hydrogel scaffold in which the metal NPs are embedded.

Diffusion mechanisms for spinel ferrite NiFe2O4 by using kinetic activation-relaxation technique.

Mass transport in bulk spinel ferrites NiFe2O4 is studied computationally using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo algorithm. Diffusion mechanisms-difficult to observe with molecular dynamics-are described by k-ART. Point defects are assumed to be responsible for ionic diffusion; thus, both cation and anion defects are investigated.

Converting the Amyloidogenic Islet Amyloid Polypeptide into a Potent Nonaggregating Peptide Ligand by Side Chain-to-Side Chain Macrocyclization.

The islet amyloid polypeptide (IAPP), also known as amylin, is a hormone playing key physiological roles. However, its aggregation and deposition in the pancreatic islets are associated with type 2 diabetes. While this peptide adopts mainly a random coil structure in solution, its secondary conformational conversion into α-helix represents a critical step for receptor activation and contributes to amyloid formation and associated cytotoxicity.

Probing the molecular determinants of the activation of toll-like receptor 2/6 by amyloid nanostructures through directed peptide self-assembly.

Amyloid fibrils are proteinaceous nanostructures known for their ability to activate the innate immune system, which has been recently exploited for their use as self-adjuvanted antigen delivery systems for vaccines. Among mechanisms of immunostimulation, the activation of the heterodimeric toll-like receptor 2/6 (TLR2/TLR6) by the cross-β-sheet quaternary conformation appears important. Nonetheless, the lack of control over the process of self-assembly and the polydispersity of the resulting supramolecular architectures make it challenging to elucidate the molecular basis of TLR2/TLR6 engagement by amyloid assemblies.

How do outside-hosts-overwintering parasitoids, at the adult stage, cope with cold?

Introduction: When overwintering, most endoparasitoids are protected from the cold inside their hosts. However, some endoparasitoids, along with ectoparasitoids, fall into the category called outside-hosts-overwintering parasitoids (OHOP) at immature or adult stages. We compared the cold-hardiness capacity and strategy between adult OHOP and their hosts (HOST) by examining their supercooling points (SCP), with acclimation periods and acclimation temperatures, and their lower lethal temperatures at 50% mortality (LLT50).

Hospital referrals, exclusions from hospital care, and deaths among long-term care residents in the Community of Madrid during the March-April 2020 COVID-19 epidemic period: a multivariate time series analysis.

Background: From March 7 to April 7, 2020, the Community of Madrid (CoM), Spain, issued interventions in response to the COVID-19 epidemic, including hospital referral triage protocols for long-term care facility (LTCF) residents (March 18-25). Those with moderate to severe physical disability and cognitive impairment were excluded from hospital referral. This research assesses changes in the association between daily hospital referrals and the deaths of LTCF residents attributable to the triage protocols.

Influence of Particle Size on Mass Transport during the Oxygen Reduction Reaction at Single Silver Particles Using Scanning Electrochemical Cell Microscopy.

Single entity electrochemical measurements enable insight into the electrocatalytic activity of individual particles based on composition, shape, and crystallographic orientation. In addition to structural effects, particle size can further influence electrocatalytic activity and reaction mechanisms through mass transport effects. In this work, electrodeposition was used to grow well-separated silver particles of varying sizes from 100 to 500 nm in radius.

What Determines the Adoption of Conservation Agriculture? Evidence from Quebec.

Conservation agriculture (CA) is promoted by various organisations and scholars as alternative to conventional agriculture to meet growing food demand with minimal damage on environment; but its factors of adoption have not been well identified. The study uses the recent composite index of adoption of CA developed by Takam Fongang et al. (2023) to analyse the factors of adoption of conservation agriculture among maize and soybean farmers in Quebec.

Impact of Pre-Sleep Visual Media Exposure on Dreams: A Scoping Review.

A body of experimental research has aimed to investigate processes underlying dream formation by examining the effects of a range of pre-sleep stimuli and events on subsequent dream content. Given its ever-growing presence and salience in people's everyday lives, pre-sleep media consumption stands out as a key variable that could influence people's dreams. We conducted a scoping review to evaluate the experimental evidence of the effects of pre-sleep exposure to visual media on dream content.

Convergent Synthesis of a Group B Type III Epitope Toward a Semisynthetic Carbohydrate-Based Vaccine.

In this work, we synthesized an hexasaccharide derived from the capsular polysaccharide of group B type III capsular polysaccharide. Our convergent 3 + 3 strategy avoided the use of benzyl protecting groups allowing the installation of an azide anchoring group and providing a high yield for the final deprotection steps. Moreover, the minimal hexasaccharidic epitope was conjugated to CRM and BSA via copper-catalyzed azide-alkyne cycloaddition for the preparation of a semisynthetic carbohydrate-based vaccine.