Electrostatic Interaction between SARS-CoV-2 and Charged Surfaces: Spike Protein Evolution Changed the Game.

Previous works show the key role of electrostatics in the SARS-CoV-2 virus in aspects such as virus-cell interactions or virus inactivation by ionic surfactants. Electrostatic interactions depend strongly on the variant since the charge of the Spike protein (responsible for virus-environment interactions) evolved across the variants from the highly negative Wild Type (WT) to the highly positive Omicron variant. The distribution of the charge also evolved from diffuse to highly localized.

Microplasma Controlled Nanogold Sensor for SERS of Aliphatic and Aromatic Explosives with PCA-KNN Recognition.

Nanogold is an emerging material for enhancing surface-enhanced Raman scattering (SERS), which enables the detection of hazardous analytes at trace levels. This study presents a simple, single-step plasma synthesis method to control the size and yield of Au nanoparticles by using plasma-liquid redox chemistry. The pin-based argon plasma reduces the Au precursor in under 5 min, synthesizing Au spherical particles ranging from ∼20 nm at 0.

Synthesis, Trans-Cis Photoisomerization, Fluorescence Decay Studies of Methoxy Ester Functionalized Alkoxy Side Chain Azobenzene Compounds and Their Photoluminescence Dynamics.

In this study, a series of new methoxy ester functionalized core fluorinated, chloro-fluorinated azobenzene derivatives were synthesized. The molecular structures of the azobenzene derivatives (3a-3c and 4a-4c) were confirmed through various analytical methods, with variations in the alkoxy chain length on one end of the aromatic ring. Optical absorption studies of 3a, 3b revealed π-π* transitions around 368-392 nm.

Triclinic polymorph of bis-[2-methyl-3-(pyridin-2-yl)imidazo[1,5-]pyridin-2-ium] tetra-chloridocadmium(II).

The crystal structure of the title organic-inorganic hybrid salt, (CHN)[CdCl], (I), has been reported with four mol-ecules in the asymmetric unit in a monoclinic cell [Vassilyeva (2021 ▸). , , 7713-7722]. While using two different aldehydes in the oxidative cyclization-condensation involving CHNH·HCl to prepare a new monovalent cation with the imidazo[1,5-]pyridinium skeleton, a new polymorph was obtained for (I) in space group 1 and a unit cell with approximately half the volume of the monoclinic form.

Auger spectrum of the ultrafast dissociating 2pσ* resonance in HCl.

We present an theoretical method to calculate the resonant Auger spectrum in the presence of ultrafast dissociation. The method is demonstrated by deriving the L-VV resonant Auger spectrum mediated by the 2pσ* resonance in HCl, where the electronic Auger decay and nuclear dissociation occur on the same time scale. The Auger decay rates are calculated within the one-center approximation and are shown to vary significantly with the inter-nuclear distance.

Modified vaginal lactobacilli expressing fluorescent and luminescent proteins for more effective monitoring of their release from nanofibers, safety and cell adhesion.

Electrospun nanofibers offer a highly promising platform for the delivery of vaginal lactobacilli, providing an innovative approach to preventing and treating vaginal infections. To advance the application of nanofibers for the delivery of lactobacilli, tools for studying their safety and efficacy in vitro need to be established. In this study, fluorescent (mCherry and GFP) and luminescent (NanoLuc luciferase) proteins were expressed in three vaginal lactobacilli (Lactobacillus crispatus, Lactobacillus gasseri and Lactobacillus jensenii) and a control Lactiplantibacillus plantarum with the aim to use this technology for close tracking of lactobacilli release from nanofibers and their adhesion on epithelial cells.

Signatures of self-organized dynamics in rapidly driven critical sandpiles.

We study two prototypical models of self-organized criticality, namely sandpile automata with deterministic (Bak-Tang-Wiesenfeld) and probabilistic (Manna model) dynamical rules, focusing on the nature of stress fluctuations induced by driving-adding grains during avalanche propagation, and dissipation through avalanches that hit the system boundary. Our analysis of stress evolution time series reveals robust cyclical trends modulated by collective fluctuations with dissipative avalanches. These modulated cycles attain higher harmonics, characterized by multifractal measures within a broad range of timescales.

Up-Conversion Photoluminescence Reconfiguration in Silicon by Inner Microstructure Control of Hybrid Plasmonic-Semiconductor Nanoparticles.

Hybrid metal-semiconductor nanostructures unifying plasmonic and high-refractive-index materials in a single resonant system demonstrate a wide set of unique optical properties. Such systems are a perspective for a broad palette of applications, but the link between their inner structure and optical properties is a very sensitive issue, which is still not revealed. Here, we describe the influence of internal microstructure of a hybrid gold-silicon nanoparticle (the gold nanoparticle with embedded silicon nanograins) on the up-conversion white-light photoluminescence.

Computational Psychotherapy System for Mental Health Prediction and Behavior Change with a Conversational Agent.

Background: The importance of computational psychotherapy is increasing due to the record high prevalence of mental health issues worldwide. Despite advancements, current computational psychotherapy systems lack advanced prediction and behavior change mechanisms using conversational agents.

Purpose: This work presents a computational psychotherapy system for mental health prediction and behavior change using a conversational agent.

Magnetic Performance and Anticorrosion Coating Stability of Thermally Demagnetized Nd-Fe-B Permanent Magnets for Reuse Applications.

Nd-Fe-B-type permanent magnets, containing approximately 30% critical rare-earth elements by weight, are essential components in renewable energy systems (e.g., wind turbines, hydroelectric generators) and electric vehicles.

Spatial distribution and isotopic signatures of N and C in mosses across Europe.

The accumulation of nitrogen (N) in moss tissue has proven to be a reliable marker of increasing N deposition. However, this measurement does not offer additional data about the origin of pollution. In this respect, the analysis of the N isotopic ratios might be a helpful tool in providing supplementary information about the nature of the nitrogenous species in biomonitoring surveys.

A European aerosol phenomenology - 9: Light absorption properties of carbonaceous aerosol particles across surface Europe.

Carbonaceous aerosols (CA), composed of black carbon (BC) and organic matter (OM), significantly impact the climate. Light absorption properties of CA, particularly of BC and brown carbon (BrC), are crucial due to their contribution to global and regional warming. We present the absorption properties of BC (b) and BrC (b) inferred using Aethalometer data from 44 European sites covering different environments (traffic (TR), urban (UB), suburban (SUB), regional background (RB) and mountain (M)).

Comparison of calibration results for α, β surface contamination monitors.

Surface contamination monitors are used intensively in many facilities, like in the nuclear medicine departments for clearance measurements and decontamination and in decommissioning of nuclear installations. For a reliable use, all surface contamination monitors should have a valid calibration with traceability to the international standards. A comparison exercise for calibrations in terms of efficiency in 2π steradian for surface contamination monitors was organized between five dosimetry calibration laboratories, members of EURAMET (The European Association of National Metrology Institutes).

Sulfur Speciation in Li-S Batteries Determined by Laboratory X-ray Emission Spectroscopy.

In this work, sulfur X-ray emission measurements on a Li-S battery cathode were performed using a laboratory setup as an alternative to more common synchrotron radiation based absorption studies. Photoexcitation by an X-ray tube was used. Valence-to-core Kβ X-ray emission spectra were recorded with a wavelength dispersive crystal spectrometer in von Hamos geometry, providing excellent energy resolution and good detection efficiency.

Longitudinal interpretability of deep learning based breast cancer risk prediction.

Deep-learning-based models have achieved state-of-the-art breast cancer risk (BCR) prediction performance. However, these models are highly complex, and the underlying mechanisms of BCR prediction are not fully understood. Key questions include whether these models can detect breast morphologic changes that lead to cancer.

Efficacy of a prototype ventilated vest in mitigating physiological and cognitive impairments during simulated military tasks in hot environments.

Many occupations, including military and industrial, cannot benefit from large-scale cooling strategies; therefore, personal cooling strategies may be more appropriate. We assessed the efficacy of a ventilated vest (Vest) based on participant' autonomic and cognitive responses during military-related activities in the heat. Male soldiers conducted 90-min trials in 35 °C ambient temperature and 40% relative humidity: i) March with/without Vest (N = 10), ii) Guard duty with/without Vest (N = 8).

Dynamical Exciton Condensates in Biased Electron-Hole Bilayers.

Bilayer materials may support interlayer excitons comprised of electrons in one layer and holes in the other. In experiments, a nonzero exciton density is typically sustained by a bias chemical potential, implemented either by optical pumping or by electrical contacts connected to the two layers. We show that if charge can tunnel between the layers, the chemical potential bias means that an exciton condensate is in the dynamical regime of ac Josephson effect.

Predictive models for health-related quality of life built on two telemonitoring datasets.

Congestive heart failure (CHF) is an incurable disease where a key objective of the treatment is to maintain the patient's quality of life (QoL) as much as possible. A model that predicts health-related QoL (HRQoL) based on physiological and ambient parameters can be used to monitor these parameters for the patient's benefit. Since it is difficult to predict how CHF progresses, in this study we tried to predict HRQoL for a particular patient as an individual, using two different datasets, collected while telemonitoring CHF patients.

Electrified Dynamically Responsive Ammonia Decomposition to Hydrogen Based on Magnetic Heating of a Ru Nanocatalyst.

Storing and transporting pressurized or liquid hydrogen is expensive and hazardous. As a result, safer methods, such as chemical storage in ammonia, are becoming increasingly important. However, the instantaneous start of a conventionally heated decomposition reactor is challenging.

Precursor-free synthesis of carbon quantum dots and carbon microparticles in supercritical acetone.

Carbon quantum dots (CQDs) have recently received a lot of attention due to their unique physical properties, and their environmentally friendly features such as low toxicity and high biocompatibility. Supercritical fluids, which possess unusual properties such as high solubility, high diffusivity, low viscosity and zero surface tension, are now commonly used particularly in the fields of electronic, chemical and materials science and engineering. Here, we synthesise carbon nano/microparticles in supercritical acetone, in which neither external molecules nor starting materials are dissolved/dispersed.

Light-Assisted Catalysis and the Dynamic Nature of Surface Species in the Reverse Water Gas Shift Reaction over Cu/γ-AlO.

The reverse water gas shift (RWGS) reaction converts CO and H into CO and water. We investigated Cu/γ-AlO catalysts in both thermally driven and light-assisted RWGS reactions using visible light. When driven by combined visible light and thermal energy, the CO conversion rates were lower than in the dark.

Impact of stress-induced precipitate variant selection on anisotropic electrical properties of piezoceramics.

Precipitation hardening has been recently validated as a new mechanism for domain wall pinning and mechanical loss reduction in piezoelectrics. While anisometric precipitates have high pinning strengths, there is limited knowledge about the electrical anisotropy of the precipitation-hardened piezoceramics. In the present work, we successfully orient the precipitates in LiNaNbO piezoceramics by applying a uniaxial stress during the aging and studied its electrical anisotropy.

Species-Specific and Pollution-Induced Changes in Gene Expression and Metabolome of Closely Related Species Under Natural Conditions.

Hyperaccumulators within the genus possess many promising genetic and metabolic adaptations that could be potentially exploited to support phytoremediation efforts and/or crop improvement and biofortification. Although hyperaccumulation is very common in this genus, individual species display specific traits as they can accumulate different elements (e.g.