Computational screening of magnetocaloric alloys

An exciting development over the past few decades has been the use of high-throughput computational screening as a means of identifying promising candidate materials for a variety of structural or functional properties. Experimentally, it is often found that the highest-performing materials contain substantial atomic site disorder. These are frequently overlooked in high-throughput computational searches however, due to difficulties in dealing with materials that do not possess simple, well-defined crystallographic unit cells. Here we demonstrate that the screening of magnetocaloric materials with the help of the density functional theory-based magnetic deformation proxy can be extended to systems with atomic site disorder. This is accomplished by thermodynamic averaging of the magnetic deformation for ordered supercells across a solid solution. We show that the highly non-monotonic magnetocaloric properties of the disordered solid solutions Mn(Co$_{1-x}$Fe$_x$)Ge and (Mn$_{1-x}$Ni$_x$)CoGe are successfully captured using this method.Comment: Main text: 8 pages, 6 figures. Supplemental Material: 2 pages, 2 figure

Normal and anti Meyer-Neldel rule in conductivity of highly crystallized undoped microcrystalline silicon films

We have studied the electrical conductivity behavior of highly crystallized undoped hydrogenated microcrystalline silicon films having different microstructures. The dark conductivity is seen to follow Meyer Neldel rule (MNR) in some films and anti MNR in others, which has been explained on the basis of variation in the film microstructure and the corresponding changes in the effective density of states distributions. A band tail transport and statistical shift of Fermi level are used to explain the origin of MNR as well as anti-MNR in our samples. The observation of MNR and anti MNR in electrical transport behavior of microcrystalline silicon is discussed in terms of the basic underlying physics of their origin and the significance of these relationships.Comment: 5 pages, 1 figur

Evaluation of the use of Pycnoporus sanguineus fungus for phenolics and genotoxicity decay of a pharmaceutical effluent treatment

If not properly and efficiently treated, wastes produced by the chemical industry can contaminate the environment. Using fungi able to degrade organic compounds (e.g. phenol) seems to be a prominent method to treat pharmaceutical wastewaters, in particular, the white-rot fungus. The aim of this work was to treat pharmaceutical effluent by the Pycnoporus sanguineus fungus. Three effluent samples were collected in a pharmaceutical industry. The production of enzymes such as laccase and manganese peroxidase was determined. Their production increased throughout the treatment with the P. sanguineus fungus, reaching maximum concentration of 4.48 U.mL-1 (Effluent 1), 8.16 U.mL-1 (Effluent 2), 2.8 U.mL-1 (Effluent 3) and 0.03 Abs.min-1 (Effluent 2), respectively, during 96 hours of biological treatment. Genotoxic effects of the raw and treated effluents were also investigated using the in vivo mouse bone marrow micronucleus (MN) assay. Results showed the biological treatment reduced the frequency of MN, in a dose-dependent manner, when compared to untreated sample. The decreasing of around 20% and 45% of phenolics concentration was observed throughout the treatment, confirming that laccase production can be related to the degradation of toxic compounds present in the effluent. Therefore, the biodegradation by the P. sanguineus fungus seems a promising method for the mineralization of recalcitrant compounds present in pharmaceutical effluent

An expeditious green route toward 2-aryl-4- phenyl-1H-imidazoles

Background: Azaheterocycles are an important class of compounds because of their highly potent medicinal activities, and the imidazole subcategory is of special interest in regard to drug discovery research. Findings: An expeditious synthetic protocol of 2-aryl-4-phenyl-1H-imidazoles has been accomplished by reacting phenylglyoxal monohydrate, ammonium acetate, and aldehyde under sonication. Following this green approach a series of 2-aryl-4-phenyl-1H-imidazoles has been synthesized using diversely substituted aldehydes. Conclusions: A rapid and simple synthetic procedure to synthesize diversely substituted 2-aryl-4-phenyl-1H-imidazoles has been reported. Other salient features of this protocol include milder conditions, atom-economy, easy extraction, and minimum wastes. The present procedure may find application in the synthesis of biologically active molecules

Efficacy of atmospheric pressure dielectric barrier discharge for inactivating airborne pathogens

Atmospheric pressure plasmas have gained attention in recent years for several environmental applications. This technology could potentially be used to deactivate airborne microorganisms, surface-bound microorganisms, and biofilms. In this work, the authors explore the efficacy of the atmospheric pressure dielectric barrier discharge (DBD) to inactivate airborne Staphylococcus epidermidis and Aspergillus niger that are opportunistic pathogens associated with nosocomial infections. This technology uses air as the source of gas and does not require any process gas such as helium, argon, nitrogen, or hydrogen. The effect of DBD was studied on aerosolized S. epidermidis and aerosolized A. niger spores via scanning electron microscopy (SEM). The morphology observed on the SEM micrographs showed deformations in the cellular structure of both microor- ganisms. Cell structure damage upon interaction with the DBD suggests leakage of vital cellular materials, which is a key mechanism for microbial inactivation. The chemical structure of the cell surface of S. epidermidis was also analyzed by near edge x-ray absorption fine structure spectros- copy before and after DBD exposure. Results from surface analysis revealed that reactive oxygen species from the DBD discharge contributed to alterations on the chemistry of the cell membrane/ cell wall of S. epidermidis

Tactility as a function of grasp force: Effects of glove, orientation, pressure, load, and handle

One of the reasons for reduction in performance when gloves are donned is the lack of tactile sensitivity. It was argued that grasping force for a weight to be grasped will be a function of the weight to be lifted and the hand conditions. It was further reasoned that the differences in grasping force for various hand conditions will be a correlate of the tactile sensitivity of the corresponding hand conditions. The objective of this experiment, therefore, was to determine the effects of glove type, pressure, and weight of load on the initial grasping force and stable grasping force. It was hypothesized that when a person grasps an object, he/she grasps very firmly initially and then releases the grasp slightly after realizing what force is needed to maintain a steady grasp. This would seem to be particularly true when a person is wearing a glove and has lost some tactile sensitivity and force feedback during the grasp. Therefore, the ratio of initial force and stable force and the stable force itself would represent the amount of tactile adjustment that is made when picking up an object, and this adjustment should vary with the use of gloves. A dynamometer was fabricated to measure the grasping force; the tests were performed inside a glove box. Four female and four male subjects participated in the study, which measured the effects of four variables: load effect, gender effect, glove type, and pressure variance. The only significant effects on the peak and stable force were caused by gender and the weight of the load lifted. Neither gloves nor pressure altered these forces when compared to a bare-handed condition, as was suspected before the test. It is possible that gloves facilitate in holding due to coefficient of friction while they deter in peak grasp strength

Electron density extrapolation above F2 peak by the linear Vary-Chap model supporting new Global Navigation Satellite Systems-LEO occultation missions

The new radio-occultation (RO) instrument on board the future EUMETSAT Polar System-Second Generation (EPS-SG) satellites, flying at a height of 820 km, is primarily focusing on neutral atmospheric profiling. It will also provide an opportunity for RO ionospheric sounding, but only below impact heights of 500 km, in order to guarantee a full data gathering of the neutral part. This will leave a gap of 320 km, which impedes the application of the direct inversion techniques to retrieve the electron density profile. To overcome this challenge, we have looked for new ways (accurate and simple) of extrapolating the electron density (also applicable to other low-Earth orbiting, LEO, missions like CHAMP): a new Vary-Chap Extrapolation Technique (VCET). VCET is based on the scale height behavior, linearly dependent on the altitude above hmF2. This allows extrapolating the electron density profile for impact heights above its peak height (this is the case for EPS-SG), up to the satellite orbital height. VCET has been assessed with more than 3700 complete electron density profiles obtained in four representative scenarios of the Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC) in the United States and the Formosa Satellite Mission 3 (FORMOSAT-3) in Taiwan, in solar maximum and minimum conditions, and geomagnetically disturbed conditions, by applying an updated Improved Abel Transform Inversion technique to dual-frequency GPS measurements. It is shown that VCET performs much better than other classical Chapman models, with 60% of occultations showing relative extrapolation errors below 20%, in contrast with conventional Chapman model extrapolation approaches with 10% or less of the profiles with relative error below 20%.Peer ReviewedPostprint (published version

Asthma and dietary intake: an overview of systematic reviews

Epidemiological research on the relationship between diet and asthma has increased in the last decade. Several components found in foods have been proposed to have a series of antioxidant, anti-allergic and anti-inflammatory properties, which can have a protective effect against asthma risk. Several literature reviews and critical appraisals have been published to summarise the existing evidence in this field. In the context of this EAACI Lifestyle and asthma Task Force, we summarise the evidence from existing systematic reviews on dietary intake and asthma, using the PRISMA guidelines. We therefore report the quality of eligible systematic reviews and summarise the results of those with an AMSTAR score ≥32. The GRADE approach is used to assess the overall quality of the existing evidence. This overview is centred on systematic reviews of nutritional components provided in the diet only, as a way to establish what type of advice can be given in clinical practice and to the general population on dietary habits and asthma. This article is protected by copyright. All rights reserved

Use of recycled aggregate concrete in structural members : a review focused on Southeast Asia

This article presents a comprehensive review on the use of recycled concrete aggregate (RCA) and recycled aggregate concrete (RAC) in construction, with emphasis on structural applications and identification of challenges and opportunities of RCA/RAC materials in Southeast Asia. For the first time and as a first step towards potential standardization of RCA/RAC in Southeast Asia, the article critically examines the physical and mechanical performance of RCA and RAC in structural applications. Global aggregate demand is projected to surpass 50 billion tons by 2025, with major Asian countries accounting for 62% of consumption. At the same time, the global annual production of construction and demolition waste (C&DW) exceeds 3.57 billion tons, and Asia is responsible for 53% of this total. Recycling C&DW plays a crucial role in addressing environmental issues and promoting sustainable construction practices. Previous research indicates that RAC exhibits certain physical and mechanical deficiencies, with strengths 10% to 20% lower than natural aggregate concrete (NAC). At the structural level, RAC elements show reductions of up to 15% in axial, bonding, shear, and flexural strengths relative to NAC. Measures such as treatment of RCA, recycling process optimization, and optimized mixing techniques are recommended to enhance RAC properties. Prioritizing RCA treatment during construction and exploring novel strengthening techniques could elevate improve RAC and make it suitable for structural applications. The review also found that C&DW recycling efforts vary significantly across countries (particularly in Southeast Asia), with some countries lagging regarding recycling technologies and use of best practices. Various strategies to improve the performance of RAC elements are also proposed and discussed. The main findings and shortcomings of previous investigations are critically discussed, and further research needs are identified