Miracle-dz/UniFAR-FTUs huggingface dataset:
Lead‐Free Thermoelectrics: High Figure of Merit in p‐type AgSnmSbTem+2

Thermoelectric materials based on Pb‐free compositions are of considerable current interest in environmentally friendly power‐generation applications derived from waste‐heat sources. Here, a new study of the thermoelectric properties of the tin‐based compositions with the general formula AgSnmSbTem+2 (m = 2, 4, 5, 7, 10, 14, 18) is presented, where the m value is used as the tuning parameter of the thermoelectric properties. The electrical conductivity, Seebeck coefficient, and thermal conductivity are measured from 300 K to 723 K and the resulting thermoelectric figure of merit is determined as a function of the SnTe/AgSbTe2 ratio. A thermoelectric figure of merit ZT ≈1 is obtained at 710 K for m = 4, indicating that the system AgSnmSbTem+2 holds great promise as an alternative p‐type, lead‐free, thermoelectric material.
D1(2B2g)→D0(2Au) fluorescence from the matrix-isolated perylene cation following laser excitation into the D5(2B3g) and D2(2B3g) electronic states

Fluorescence spectra of the perylene cation, isolated in an argon matrix and pumped by direct laser excitation via the D2(2B3g)←D0(2Au) and D5(2B3g)←D0(2Au) transitions, are presented. Direct excitation into the D5 or D2 states is followed by rapid nonradiative relaxation to D1 that, in turn, relaxes radiatively. Excitation spectroscopy across the D2(2B3g)←D0(2Au) transition near 730 nm shows that site splitting plays little or no role in determining the spectral substructure in the ion spectra. Tentative assignments for ground state vibrational frequencies are made by a comparison of spectral intervals with calculated normal mode frequencies, with the strongest IR bands leading to the most intense vibronic bands.
The positive muon and μSR spectroscopy: powerful tools for investigating the structure and dynamics of free radicals and spin probes in complex systems

The positive muon (μ+) can be incorporated into free radicals where it acts as a probe of the structure and dynamics. The muoniated radicals are characterized by a series of magnetic resonance techniques known as μSR for muon spin rotation, resonance and relaxation spectroscopy. In this review it is shown how μSR can be used to obtain information about the structure, dynamics, and local environments of transient radicals in solids like zeolites, in solution or even in exotic solvents like supercritical water. It will also be demonstrated that muoniated radicals can be used as probes in complex systems, such as rod-like and discotic liquid crystals, bilayers and polymers, where they have advantages over traditional spin labelling.
Contagions in Social Networks: Effects of Monophilic Contagion, Friendship Paradox and Reactive Networks

We consider SIS contagion processes over networks where, a classical assumption is that individuals' decisions to adopt a contagion are based on their immediate neighbors. However, recent literature shows that some attributes are more correlated between two-hop neighbors, a concept referred to as monophily. This motivates us to explore monophilic contagion, the case where a contagion (e.g. a product, disease) is adopted by considering two-hop neighbors instead of immediate neighbors (e.g. you ask your friend about the new iPhone and she recommends you the opinion of one of her friends). We show that the phenomenon called friendship paradox makes it easier for the monophilic contagion to spread widely. We also consider the case where the underlying network stochastically evolves in response to the state of the contagion (e.g. depending on the severity of a flu virus, people restrict their interactions with others to avoid getting infected) and show that the dynamics of such a process can be approximated by a differential equation whose trajectory satisfies an algebraic constraint restricting it to a manifold. Our results shed light on how graph theoretic consequences affect contagions and, provide simple deterministic models to approximate the collective dynamics of contagions over stochastic graph processes.
Effect of Electrolyte pH on the Inherent Electrochemistry of Layered Transition‐Metal Dichalcogenides (MoS2, MoSe2, WS2, WSe2)

We set forth to investigate the changes in the inherent oxidative peaks of different transition-metal dichalcogenides (TMDs), namely MoS2, MoSe2, WS2, and WSe2, at different electrolyte pH values. Changing the pH of the electrolyte was found to influence and affect the inherent oxidation of TMDs, more noticeably the peak position. This could be attributed to the different reaction mechanisms and stability at the different pH values. An increase in the electrolyte pH from 0 to 8 shows a linear decrease in the peak potentials of the inherent oxidative peaks. However, small changes in peak potentials were observed at low alkaline pH levels (from 8 to 11). Beyond pH 11, the emergence of an additional peak at low potentials, apart from the inherent oxidative peak, was observed for most of the TMD materials studied. This insight into the pH dependence of the oxidation of TMD materials is of paramount importance for their electrochemical applications.
Fiber Forming Poly(Urethane Acylsemicarbazides) with Photochromic Behavior

Abstract Segmented poly(urethane acylsemicarbazides) (PUS) containing azobenzene groups in the main chain were synthesized by a two‐step polymerization process from polymeric polyol, diisocyanate, and 4,4′‐azobis(benzoylhydrazide). The hard segment content was varied by altering the NCO/OH ratio in order to study the effect of the variation on the properties. IR studies were carried out to confirm the structures and the polymers were characterized by TGA, DSC, DMA, and stress–strain analysis. Both the DSC and DMA measurements showed that T g of the soft segment shifted with variation in the hard segment content. UV/VIS spectroscopy of solutions and creep recovery studies of the films were carried out to confirm the photoisomerization behavior of polymers. Isomerization upon irradiation of polymer solutions with UV light was observed as decrease in intensity of absorbance corresponding to trans‐form and increase in the absorbance of cis‐form. A decrease in the deformation of films subjected to irradiation as revealed by creep studies further confirmed the photochromic nature. The influence of polymer structure and chromophore concentration on the photoisomerization rates were determined from UV/VIS spectroscopic studies which showed that the rates were independent of the structure of polymer backbone and concentration of chromophores.
Medium perturbations of atomic extravalence excitations

In this paper we present the results of an experimental study of the lowest 1S0→3P1 extravalence electronic excitation of atomic xenon in dense supercritical and subcritical fluid argon over the density range 0.1–1.4 g⋅cm−3, spanning the temperature region 80–300°K. Solvent perturbations were characterized in terms of the spectral shift, the linewidth and the first and the second moments of the absorption band. These energetic parameters exhibit a weak temperature sensitivity and a strong density dependence. The experimental data were analyzed in terms of the semiclassical theory of line broadening extended to account for guest–host and host–host correlations and incorporating realistic pair potentials in the ground and in the excited electronic states. The semiclassical theory results in manageable expressions for the first and for the second moments of the absorption band which are expressed in terms of a difference guest–host interaction potential together with the solute–solvent and the solvent–solven.
Dual stimuli responsive PEG based hyperbranched polymers

PEG based hyperbranched copolymers have been synthesised using a high concentration of ethylene glycol dimethacrylate (EGDMA) as the branching agent (up to 10% molar ratio of total feed monomers) via a new in situ deactivation enhanced atom transfer radical polymerisation (DE-ATRP). These hyperbranched copolymers exhibited a lower critical solution temperature (LCST) close to body temperature and photo-crosslinkable behavior.
Vertical sexual habitat segregation in a wintering migratory songbird

ABSTRACT Sexual habitat segregation during the wintering period is a widespread phenomenon and has important implications for the ecology and conservation of migratory birds. We studied Black-and-white Warblers (Mniotilta varia) wintering in second-growth scrub and old-growth mangrove forest in Jamaica to quantify sexual habitat segregation and explore whether patterns of habitat occupation have consequences on physical condition. We used this information along with a body size analysis and simulated territorial intrusions to assess whether behavioral dominance or habitat specialization was responsible for habitat segregation. Based on standardized capture data, we found that females were more abundant than males in both scrub and mangrove forests. Foraging observations, however, suggested vertical segregation within each habitat, with females foraging primarily near the ground and males in the mid-canopy and canopy, indicating that our sex ratio estimates may be biased. Using 2 measures of body condition, we show that males were in better body condition than females, regardless of habitat. We found that males were on average slightly larger than females, and home range analysis and simulated territorial intrusions indicated that males were more territorial than females. We argue that the observed vertical sexual habitat segregation is likely caused by behavioral dominance rather than habitat specialization. Winter body condition is known to carry over to affect migration timing, reproductive success, and annual survival in other songbirds, and therefore sexual habitat segregation may have important implications for year-round population dynamics in Black-and-white Warblers. LAY SUMMARY Female Black-and-white Warblers were partially excluded from the middle and upper parts of the forest canopy by more dominant males. This vertical habitat segregation may have resulted in poor body condition in females compared to males.
The ironical role of science in policymaking: the case of the spruce budworm

There is continuing controversy over the proper role of scientific information in policymaking. Opinions appear to be split along ideological lines, with those who subscribe to the technocratic mode favouring a central role for scientific experts in natural resource decision‐making, while the more humanistically‐inclined harbour doubts about such scientific influence. One version of this latter perspective argues that scientific information is often too ambivalent and contentious to be of use in resolving complex policy issues. In the face of such scientific conjecture, therefore, policymakers would be wise to make their decisions insensitive to these various scientific debates. This leaves science with the ironical role of ensuring that no single interpretation of events achieves dominance in policymaking. Aspects of this hypothesis are evaluated within the context of a case study: the spruce budworm problem in New Brunswick, Canada.
Environmental assessment of chemicals: methods and application to a case study of organic solvents

Suitable environmental assessment tools are needed for the development of sustainable chemical products and processes. In this paper, three methods for the environmental assessment of chemicals with different focus, fields of application, and data requirements are presented. The first method aims to identify potential environmental, health and safety hazards in the early phases of chemical process design. The second approach is to calculate screening indicators for unwanted environmental exposure to chemicals in terms of persistence and spatial range. The third approach is to perform a full life-cycle assessment. The differences between the methods are discussed, first, on a theoretical basis and then within a case study of 13 solvents. The results of all three methods indicate that the use of chlorinated solvents should be avoided, while solvents such as methanol, isopropanol, toluene and xylene are less problematic. Moreover, there are results that are unique to each method: in addition to the chlorinated solvents, nitrobenzene has a potential for long-lasting and widespread exposure; concerning environmental, health and safety aspects, care should be taken with respect to formaldehyde, benzene, and acetic acid; according to the life-cycle assessment, energy use makes up for a large fraction of the impact for solvents such as aniline. In the case study, the three methods provide consistent results both in the overall environmental assessment of the chemicals and with regard to single aspects such as degradability or toxicity. Since not all aspects are considered in all methods, the methods also provide complementary results.
Highly sensitive and selective volatile organic compound gas sensors based on mesoporous nanocomposite monoliths

We introduce the use of highly ordered mesoporous silica/metal oxide (HOM/MO) nanocomposite monoliths for volatile organic compound (VOC) gas sensor applications. Monoliths with various loadings of semiconducting metal oxides (SnO2, ZnO, NiO, CuO, and Fe2O3) were prepared through instant direct-templating method. The dependence of the doping elements and doping levels on the mesoporous structure of monoliths was investigated. The results indicate that the monoliths retained their ordered porous structure at up to 40% doping by SnO2. The high-resolution transmission electron microscopy and scanning transmission electron microscopy images revealed that the SnO2 nanocrystals were homogenously distributed in the matrix of the HOM monoliths up to 40% doping concentration. The gas-sensing properties of the HOM/SnO2 and HOM/ZnO monoliths to acetone, benzene, and ethanol were also investigated. Sensors based on the HOM/SnO2 nanocomposites showed highest sensitivity, selectivity, response rate, and response stability to acetone compared with the others. This finding provides interesting results on the large-scale synthesis of HOM/MO monoliths with the ability to control pore structure and opens a new strategy in the application of mesoporous nanocomposites for gas sensors. In addition, various HOM/MO nanocomposite monoliths are easily synthesized through this method. It expands the potential of HOM/MO nanocomposite monoliths to other applications, such as catalysis and adsorption.
Levels and neurodevelopmental effects of polycyclic aromatic hydrocarbons in settled house dust of urban dwellings on preschool–aged children in Nanjing, China

Abstract This study investigated levels and possible determinants of polycyclic aromatic hydrocarbons (PAHs) in settled house dust of urban dwellings with preschool–aged children in Nanjing, China. The possible neurodevelopmental effects of house–dust PAHs on the children were also investigated. Settled house dust was collected from 203 urban houses. Fifteen PAHs were measured using an HPLC with a fluorescence detector and wavelength programming. The Child Behavior Checklist and the Gesell Development Inventory were used to evaluate the overall development of the children. PAHs were detected in settled house dust of >90% of houses, where high molecular weight PAHs predominated. Most PAHs with two or three rings were found at significantly higher levels in indoor compared with outdoor dust. PAH isomeric ratios showed that PAHs with four or more rings might be derived from outdoor coal burning sources. Naphthalene was found at lower concentrations in houses with more hours of natural ventilation, while pyrene, chrysene (Chr) and benzo[k]fluoranthene (BkF) were present at higher concentrations in these houses. A higher floor level correlated with lower levels of PAHs, especially those with four or more rings, while older houses had higher PAH levels. Benzo[a]pyrene (BaP) and indeno[1,2,3–cd]pyrene levels were positively associated with most behavioral problem scores. Higher BaP and benzo[g,h,i]perylene levels showed lower Gesell language development quotient (DQs), and higher Chr and BkF were associated with lower Gesell social skill DQs. In conclusion, 15 PAHs are ubiquitous in urban settled house dust, where outdoor coal burning and indoor cooking oil fumes are the two main sources of PAHs in Nanjing, China. Natural ventilation, floor level and residence age potentially influence house dust PAH levels. The potential adverse effect of postnatal exposure to PAHs on the behavior and neurodevelopment of preschool–aged children requires follow up in larger studies.
The influence of applying purified municipal sewage on nickel content in plants

This research evaluated the impact of purified municipal wastes from Lublin on nickel accumulation in tested plants due to varied rates of sewage. Moreover, the fodder value of some plants was estimated. The experiment was localized in Bystrzyca river valley in 1996, covering an 8-hectare area. Studies were carried out on soils: (division) hydrogenic, (type) bog and bog-like, (sub-type) peat-bog and mineralbog. The experimental field was divided into 7 blocks and each block into 3 quarters (a, b c). Sewage was applied at three rates under every cultivation: a – control; b – sewage rate optimum for a given plant (established on a base of N content and water demands); c – double optimum rate. Plant material was randomly collected in July and September 1997. The ability for nickel accumulation in the investigated plants decreased along the sequence: grass mixtures > rape > hemp > maize > poplar (leaves) > willow (leaves).
Measurement of resistant starch in cooked cereal-based foods

Resistant starch, which has been defined as the sum of starch and products of starch degradation not absorbed in the small intestine of healthy individuals, is considered beneficial for health due to its effects on the human bowel and on carbohydrates and lipids metabolism. Cereals are daily consumed by the Italian population as bread, pasta, breakfast cereals, gruels, etc. Cereal-based foods (50 samples) belonging to the above categories were analysed, both raw and after cooking, by the in vitro method of McCleary and Monaghan (standard AOAC 2002.02 and AACC 32-40 methods) in order to assess their resistant starch content. Cooked potatoes and banana (raw and cooked) were used as a comparison. The cooked foods and also the bread samples were cooled at the temperature compatible with their consumption, rapidly frozen and freeze dried in order to standardize the analytical protocol. Freeze drying of cooked foods was important in achieving repeatability of measurements. Within each category of food, different amounts of resistant starch were found depending mainly on the nature of the cereals used as raw material and on other added flours (i.e. legume flours). Within all cereal-based samples values in the range 0.1‐3.4% d.m. were found.
Atomic Layer Deposition of Conductive Coatings on Cotton, Paper, and Synthetic Fibers: Conductivity Analysis and Functional Chemical Sensing Using “All‐Fiber” Capacitors

Conductive coatings on complex fibrous systems are attracting interest for new electronic and other functional systems. Obtaining a quantitative conductivity value for complex surface coatings is often difficult. This work describes a procedure to quantify the effective electrical conductivity of conductive coatings on non‐conductive fibrous networks. By applying a normal force orthogonal to the current and field direction, fiber/fiber contact is improved and consistent conductance values can be measured. Nylon fibers coated with an electroless silver plating shows effective conductivity up to 1950 S cm−1, and quartz fibers coated with tungsten by atomic layer deposition (ALD) show values up to ∼1150 S cm−1. Cotton fibers and paper coated with a range of ZnO film thicknesses by ALD show effective conductivity of up to 24 S cm−1 under applied normal force, and conductivity scaled as expected with film coating thickness. Furthermore, we use the conductive coatings to produce an “all‐fiber” metal–insulator–metal capacitor that functions as a liquid chemical sensor. The ability to reliably analyze the effective conductivity of coatings on complex fiber systems will be important to design and improve performance of similar devices and other electronic textiles structures.
Ion-energy distributions at a substrate in reactive magnetron sputtering discharges in Ar/H2S from copper, indium, and tungsten targets

Ion-energy distributions from copper, indium, and tungsten targets were measured during reactive sputtering in argon-hydrogen sulfide (H2S) mixtures, since reactive magnetron sputtering of sulfides from metallic targets is of increasing interest, especially for photovoltaic applications (buffer and absorber layers, i.e., CuInS2, In2S3, or WS2). The mass spectra of the ions show a wide range of molecules HxSn derived from H2S by plasma-assisted attachment both for positive (n≤9) and for negative (n≤6) ions. From the copper and the indium targets metallic ions (Cu+, In+) could be detected. While tungsten and indium sulfur compounds were found, copper does not form compounds with sulfur, caused by its lower chemical reactivity. Positive (Ar+, S+, W+, Cu+, In+, etc.) as well as negative ions (S−, InS−, WS3−) were measured for dc and rf (27 MHz) plasma excitations. The positive ions originate mainly from the plasma in front of the substrate and exhibit energies of about 12 eV for the dc and 18 eV for the rf di.
In vitro Antileishmanial, Antioxidant, Antitumor Activities and Phytochemical Estimation of Peucedanum Beluchistanicum Leaves Extracts and its Fractions

This study sought to give scientific basis to Peucedanum beluchistanicum already used for traditional purpose whose Antileishmanial, Antioxidant, Antitumor activities has not been evaluated. Different biological assays i.e. Antileishmanial, Antioxidant, Crown gall tumor inhibition (potato disc) assay and phytochemical estimation of Crude methanolic extract (CME) and its fractions that are, n-hexane fraction (NHF), chloroform fraction (CHF), acetone fraction (ACE), and aqueous fraction (AQF) were used. CME showed maximum Antileishmanial activity with IC50 value 32. 65µg/ml as comparable to other fractions. Moreover, with the presence of high concentration of phenols in CME, showed significant antioxidant activity with IC50 value 12. 48µg/ml with respect to Ascorbic acid. On the other hand, CME also showed tremendous antitumor activity with % inhibition 78.65% as compared to the standard drug. Furthermore, the phytochemical estimation of CME and its fractions showed the presence of Alkaloids, Flavonoids, Phenols, Tannins and Diterpenes. Further pharmacological studies are necessary to evaluate this plant.
Aggregation‐Induced Emission Features of Organometal Halide Perovskites and Their Fluorescence Probe Applications

Organometal hybrid perovskites exhibit tunable absorption and photoluminescence spectra that originate from the adjustable excitons of the self‐assembled quantum‐well structures. The aggregation‐induced emission (AIE) features of (RNH3)2PbI4 (R = alkyl, CnH2n+1, n = 4, 12, 16, 18) as well as their reversible photoluminescence response to pH value are demonstrated. This interesting phenomenon correlates with the formation of quantum‐well structure, which is a novel AIE mechanism. The temperature sensors based on organometal hybrid perovskites are also investigated. The combination of high sensitivity (1.3% K−1) and good reversibility (>500 cycles) of organometal halide perovskites to temperature in a large temperature range (0–80 °C) makes them to be versatile systems for the temperature sensor applications. Furthermore, as a proof of concept, the application of organometal hybrid perovskites in 2D spatial imaging and NIR light detection is also presented.