Interlayer and Intralayer Excitons in AlN/WS2 Heterostructure

The study of intra and interlayer excitons in 2D semiconducting vdW heterostructures is a very hot topic not only from a fundamental but also an applicative point of view. Due to their strong light–matter interaction, Transition Metal Dichalcogenides (TMD) and group-III nitrides are particularly attractive in the field of opto-electronic applications such as photo-catalytic and photo-voltaic ultra-thin and flexible devices. Using first-principles ground and excited-state simulations, we investigate here the electronic and excitonic properties of a representative nitride/TMD heterobilayer, the AlN/WS2. We demonstrate that the band alignment is of type I, and low energy intralayer excitons are similar to those of a pristine WS2 monolayer. Further, we disentangle the role of strain and AlN dielectric screening on the electronic and optical gaps. These results, although they do not favor the possible use of AlN/WS2 in photo-catalysis, as envisaged in the previous literature, can boost the recently started experimental studies of 2D hexagonal aluminum nitride as a good low screening substrate for TMD-based electronic and opto-electronic devices. Importantly, our work shows how the inclusion of both spin-orbit and many-body interactions is compulsory for the correct prediction of the electronic and optical properties of TMD/nitride heterobilayers.     

A Review of the Influence of Copper Slag on the Properties of Cement-Based Materials

Global copper slag (CS) emissions reached 57.2 million tons in 2021. Despite the increasing reuse of CS, the treatment of CS is still dominated by landfill so far, which not only occupies land resources but also causes damage to the environment. The application of CS to cement-based materials (CBMs) is one of the main approaches to its comprehensive utilization and has important economic and social implications. This article reviews the physicochemical properties, activity excitation, and heavy metal leaching properties of CS and summarizes the effect of CS on the working properties, mechanical properties, and durability of CBMs. At the end of the article, the existing problems in the research are analyzed, and the development trend is proposed, which provides technical guidance and reference for further research and application of CS in CBMs in the future.     

Polycrystalline PbTe:In Films on Amorphous Substrate: Structure and Physical Properties

Polycrystalline PbTe:In films on a polyimide substrate were obtained and investigated. Their structural and transport properties in a wide range of temperatures (10–300 K) were studied. The unique feature of In impurity in PbTe is the stabilization of the Fermi level (pinning effect) that allowed for the preparation polycrystalline films with the same carrier concentration. We found that heat treatment in an argon atmosphere does not change the average grain size and carrier concentration for as-grown films but greatly increases the Hall mobility and the electron mean free path. By comparing the mobility in the bulk and in the film after heat treatment, we extracted the value of the mobility that arises due to scattering at the grain boundary barriers. The ultimate goal of the present study is the development of these films in designing portable uncooled photodetectors for the mid-IR range.     

Evaluation of Thermophysical and Mechanical Properties of Sandstone Due to High-Temperature

In this study, thermophysical and mechanical tests were conducted on sandstone samples from room temperature to 1000 °C. Based on the test results, the thermophysical properties (such as specific heat capacity, thermal conductivity, and thermal expansion coefficient) of sandstone after high-temperature treatment and the variations of mechanical properties (including peak strength, peak strain, elastic modulus, and whole stress-strain curve) with temperature were analyzed. Indeed, the deterioration law of sandstone after high-temperature treatment was also explored with the aid of a scanning electron microscope (SEM). The results show that with the increase in temperature, the specific heat capacity and thermal expansion coefficient of sandstone samples after high-temperature treatment increase first and then decrease, while the thermal conductivity gradually decreases. The range from room temperature to 1000 °C witnesses the following changes: As temperature rises, the peak strength of sandstone rises initially and falls subsequently; the elastic modulus drops; the peak strain increases at an accelerated rate. Temperature change has a significant effect on the deterioration rules of sandstone, and the increase in temperature contributes to the transition in the failure mode of sandstone from brittle failure to ductile failure. The experimental study on the thermophysical and mechanical properties of sandstone under the action of high temperature and overburden pressure has a guiding significance for the site selection and safety evaluation of UCG projects.     

Geotechnical and Shear Behavior of Novel Lunar Regolith Simulants TUBS-M,TUBS-T,and TUBS-I

The return to the Moon is an important short-term goal of NASA and other international space agencies. To minimize mission risks, technologies, such as rovers or regolith processing systems, must be developed and tested on Earth using lunar regolith simulants that closely resemble the properties of real lunar soil. So far, no singular lunar simulant can cover the multitude of use cases that lunar regolith involves, and most available materials are poorly characterized. To overcome this major gap, a unique modular system for flexible adaptable novel lunar regolith simulants was developed and chemically characterized in earlier works. To supplement this, the present study provides comprehensive investigations regarding geotechnical properties of the three base regolith simulant systems: TUBS-M, TUBS-T, and TUBS-I. To evaluate the engineering and flow properties of these heterogeneous materials under various conditions, shear tests, particle size analyses, scanning electron microscope observations, and density investigations were conducted. It was shown that small grains <25 µm (lunar dust) are highly compressive and cohesive even at low external stress. They are particularly important as a large amount of fine dust is present in lunar regolith and simulants (x₅₀ = 76.7 to 96.0 µm). Further, ring shear and densification tests revealed correlations with damage mechanisms caused by local stress peaks for grains in the mm range. In addition, an explanation for the occurrence of considerable differences in the literature-based data for particle sizes was established by comparing various measurement procedures. The present study shows detailed geotechnical investigations of novel lunar regolith simulants, which can be used for the development of equipment for future lunar exploration missions and in situ resource utilization under realistic conditions. The results also provide evidence about possible correlations and causes of known soil-induced mission risks that so far have mostly been described phenomenologically.     

Physicochemical Properties of Water-Based Copolymer and Zeolite Composite Sustained-Release Membrane Materials

A nitrogen fertilizer slow-release membrane was proposed using polyvinyl alcohol (PVA), polyvinylpyrrolidone (PVP), epoxy resin, and zeolite as raw materials. The effects of the water-based copolymer (PVA:PVP) solution ratio A (A₁–A₄) and zeolite amount B (B₁–B₄) on the water absorption rate (XS), water permeability (TS), fertilizer permeability (TF), tensile strength (KL), elongation at break (DSL), and viscosity (ND) of the membrane were explored using the swelling method, a self-made device, and a universal testing machine. The optimal combination of the water-based copolymer and zeolite amount was determined by the coefficient-of-variation method. The results show that the effects of the decrease in A on KL and the increase in B on KL and DSL are promoted first and then inhibited. DSL and ND showed a negative response to the A decrease, whereas XS, TS, and TF showed a positive response. The effect of increasing B on ND, TS, and TF showed a zigzag fluctuation. In the condition of A₁–A₃, XS showed a negative response to the B increase, whereas in the condition of A₄, XS was promoted first and then inhibited. Adding PVP and zeolite caused the hydroxyl stretching vibration peak of PVA at 3300 cm⁻¹ to widen; the former caused the vibration peak to move to low frequencies, and the latter caused it to move to high frequencies. The XRD pattern shows that the highest peak of zeolite is located at 2θ = 7.18° and the crystallization peak of the composite membrane increases with the rise in the proportion of zeolite. Adding PVP made the surface of the membrane smooth and flat, and adding a small amount of zeolite improved the mechanical properties of the membrane and exhibited good compatibility with water-based copolymers. In the evaluation model of the physicochemical properties of sustained-release membrane materials, the weight of all indicators was in the following order: TF > ND > TS > KL > XL > DSL. The optimal membrane material for comprehensive performance was determined to be A₂B₃.     

Mechanical Properties Evaluation of Polymer-Binding C-S-H Structure from Nanoscale to Macroscale: Hydroxyl-Terminated Polydimethylsiloxane (PDMS) Modified C-S-H

Exploring and modifying the C-S-H structure at a micro–nano level is an effective solution to improve the performance of Portland cement. Compared with organics inserting C-S-H, the research on the performance of a polymer-binding C-S-H structure from nanoscale to macroscale is limited. In this work, the mechanical properties of a modified C-S-H, using hydroxyl-terminated polydimethylsiloxane (PDMS) as the binders, are evaluated. The PDMS-modified C-S-H structures are introduced into macro-defect-free cement to obtain stress–strain curves changes at a macro scale. The AFM–FM was adopted to measure the morphology and elastic modulus of C-S-H at a nano scale. The molecular dynamics (MD) simulation was performed to assess the toughness, tensile properties, and failure mechanism. The results show that the PDMS-modified C-S-H powders change the break process and enhance ductility of MDF cement. The elastic modulus of PDMS-modified C-S-H is lower than pure C-S-H. When PDMS molecules are located between the stacking crystal units, it can enhance the toughness of C-S-H aggregates. The PDMS-modified C-S-H stacking structure has better plasticity, and its tensile strains are higher than the pure C-S-H. PDMS molecules hinder the initial crack expansion, leading to the branching of the initial crack. In addition, the measurement of AFM–FM can identify and obtain the mechanical properties of basic units of C-S-H. This paper enhances the understanding of cement strength sources and modification methods.     

Intra-Patient Evolution of HIV-2 Molecular Properties

Limited data are available on the pathogenesis of HIV-2, and the evolution of Env molecular properties during disease progression is not fully elucidated. We investigated the intra-patient evolution of molecular properties of HIV-2 Env regions (V1–C3) during the asymptomatic, treatment-naïve phase of the infection in 16 study participants, stratified into faster or slower progressors. Most notably, the rate of change in the number of potential N-linked glycosylation sites (PNGS) within the Env (V1–C3) regions differed between progressor groups. With declining CD4⁺ T-cell levels, slower progressors showed, on average, a decrease in the number of PNGSs, while faster progressors showed no significant change. Furthermore, diversity increased significantly with time in faster progressors, whereas no such change was observed in slower progressors. No differences were identified between the progressor groups in the evolution of length or charge of the analyzed Env regions. Predicted virus CXCR4 use was rare and did not emerge as a dominating viral population during the studied disease course (median 7.9 years, interquartile range [IQR]: 5.2–14.0) in either progressor groups. Further work building on our observations may explain molecular hallmarks of HIV-2 disease progression and differences in pathogenesis between HIV-1 and HIV-2.     

Metabolism and Bioavailability of Olive Bioactive Constituents Based on In Vitro,In Vivo and Human Studies

Consumption of olive products has been established as a health-promoting dietary pattern due to their high content in compounds with eminent pharmacological properties and well-described bioactivities. However, their metabolism has not yet been fully described. The present critical review aimed to gather all scientific data of the past two decades regarding the absorption and metabolism of the foremost olive compounds, specifically of the phenylalcohols hydroxytyrosol (HTyr) and tyrosol (Tyr) and the secoiridoids oleacein (Olea), oleocanthal (Oleo) and oleuropein (Oleu). A meticulous record of the in vitro assays and in vivo (animals and humans) studies of the characteristic olive compounds was cited, and a critical discussion on their bioavailability and metabolism was performed taking into account data from their gut microbial metabolism. The existing critical review summarizes the existing knowledge regarding the bioavailability and metabolism of olive-characteristic phenylalchohols and secoiridoids and spotlights the lack of data for specific chemical groups and compounds. Critical observations and conclusions were derived from correlating structure with bioavailability data, while results from in vitro, animal and human studies were compared and discussed, giving significant insight to the future design of research approaches for the total bioavailability and metabolism exploration thereof.     

Evaluation of psychometric properties of patient-reported outcome measures frequently used in narcolepsy randomized controlled trials: a systematic review

Study ObjectivesTo systematically determine subjective and objective outcome measures used to measure the efficacy of narcolepsy interventions in randomized controlled trials (RCTs) in adults and children and assess psychometric properties of patient-reported outcome measures (PROMs) used.MethodsWe searched bibliographical databases and clinical trial registries for narcolepsy RCTs and extracted objective and subjective outcome measures. If PROMs were used, we searched for psychometric studies conducted in a narcolepsy population using bibliographical databases and appraised using Consensus-based Standards for the Selection of Health Measurement Instruments (COSMIN) guidelines.ResultsIn total, 80 different outcome measures were used across 100 RCTs. Epworth Sleepiness Scale (ESS) (n = 49) and Maintenance of Wakefulness Test (n = 47) were the most frequently used outcome measures. We found 19 validation studies of 10 PROMs in narcolepsy populations. There was limited evidence for validity or responsiveness of the ESS; yet sufficient reliability (pooled ICC: 0.81–0.87). Narcolepsy Severity Scale (NSS) had sufficient reliability (pooled ICC: 0.71–0.92) and both adult and pediatric versions had sufficient discriminant validity (treated/untreated). Content validity was only evaluated in pediatric populations for ESS-CHAD and NSS-P and rated inconclusive. Quality of evidence of the psychometric studies for all scales ranged from very low to low.ConclusionsAlthough recognized by regulatory bodies and widely used as primary outcome measures in trials, there is surprisingly little evidence for the validity, reliability, and responsiveness of PROMs frequently used to assess treatment efficacy in narcolepsy. The field needs to establish patient-centered minimal clinically important differences for the PROMs used in these trials.