Growing crystals and studying structure and electronic properties of Cu2ZnGe(SÑ Se1-x)4 compositions.

Single crystals of Cu2ZnGeSe4 and Cu2ZnGeS4 solid solutions were developed and successfully obtained using the chemical vapor transfer method, with iodine acting as a transporter. The structure, compositional dependences of lattice parameters, pycnometric and X-ray densities and microhardness were determined. The chemical composition determined by the X-ray microanalysis satisfactorily corresponds to the nominal one with a tolerance of ±5 %. The XRD analysis showed that all the obtained compounds and their solid solutions have unit cell described by tetragonal symmetry. The attice parameters were found to be а = 5.342 ± 0.005 Å, с = 10.51 ± 0.01 Å for the Сu2ZnGeS4 compound and а = 5.607 ± 0.005 Å, с = 11.04 ± 0.01 Å for the Cu2ZnGeSe4, respectively. Structural studies confirmed the validity of the Vegard's law in relation to the obtained samples. The pycnometric densities of ∼4.28 g/cm3 for the Cu2ZnGeS4 and ∼5.46 g/cm3 for the Cu2ZnGeSe4 were found to be slightly less than their X-ray densities of ∼4.32 g/cm3 and ∼5.52 g/cm3, respectively. The maximum microhardness of ∼398 kg/mm2 for these solid solutions corresponds to x = 0.60. The melt point of the solid solutions increases from ∼1180 °C for the Сu2ZnGeSe4 up to ∼1400 °C for the Сu2ZnGeS4. Based on X-ray fluorescence analysis and DTA data, the phase diagram of the Cu2ZnGeSe4-Cu2ZnGeS4 system was constructed. Analysis of the obtained diagram indicates its first type according to Rozbom's classification.

Norm in cultivated honey in Malaysia and concomitant effective dose to consumers.

Present study concerns the radiological character of Malaysian honey. A total of 18 samples (representative of the various most common types) were obtained from various honey bee farms throughout the country. Using a high-purity germanium γ-ray spectroscopic system, the samples were analysed for the naturally occurring radionuclides 226Ra, 228Ra and 40K. The respective range of activities (in Bq/kg) was: 3.49 ± 0.35 to 4.51 ± 0.39, 0.99 ± 0.37 to 1.74 ± 0.39 and 41.37 ± 3.26 to 105.02 ± 6.91. The estimated associated committed effective doses were derived from prevailing data on national consumption of honey, the annual dose being found low compared with the UNSCEAR reference dose limit of 290 µSv y-1. The estimated threshold consumption rate for honey indicates a maximum intake of 339 g/d, which poses an insignificant radiological risk to public health; however, the total dietary exposure may not, the guidance level of 290 µSv y-1 being applicable to dietary intake of all foodstuffs. The study is in support of the cultivation of a healthy lifestyle, acknowledging prevailing radioactivity within the environment.

The presence of toxic heavy metals in tuna fishes from Laccadive sea and concomitant health risk.

Concentrations of heavy metals in Yellowfin and Skipjack tuna fishes from the Laccadive sea were determined by inductively coupled plasma optical emission spectroscopy (ICP-OES) to evaluate the human health hazards via their consumption. The samples were collected from different atolls of Maldives to ensure a good representation of sample distribution. The metal concentration in tuna fish is found to be below the maximum tolerable limit set by different international organisations. The target hazard quotient values for individual metals were well below the limiting value of 1, indicating an insignificant health risk via the dietary intake of fish. The maximum targeted cancer risk value was 10 -4, indicating low carcinogenic risk from the consumption of tuna fish from the Maldives. Hence, the consumption of tuna from the Laccadive Sea is safe for human health.

In-silico approach to designing effective antiviral drugs against SARS-CoV-2 and SARS-CoV-1 from reported phytochemicals: a quality improvement study.

Computer-aided drug design by molecular docking, statistical analysis like multiple linear regression (MLR), principal component analysis (PCA), and molecular dynamics studies can emerge as an efficient approach to designing promising core scaffolds for coronavirus medication. The main protease [3-chymotrypsin-like protease (3CLpro)] of severe acute respiratory syndrome coronavirus (SARS-CoV)-1 and SARS-CoV-2 is one of the critical targets for designing and developing broad-spectrum antiviral therapeutic drugs. The main objective of this study was to investigate potential phytochemicals against SARS-CoV-1 and SARS-CoV-2 to ensure effective natural product-induced therapy. In this evaluation, we have selected 40 reported phytochemicals to design efficient core scaffolds that can act as potent inhibitors against the main proteases of SARS-CoV-2 and SARS-CoV-1. We categorized the selected phytochemicals into a more bioavailable and less bioavailable set, considering phytochemical drug likeliness properties. All the selected phytochemicals vigorously interacted with the catalytic dyads His41 and Cys145. Statistical analysis by MLR confirmed their contribution to structural features on binding affinities and PCA analysis for structural activity relationships for their structural pattern recognition to determine the core scaffold inhibitors. We confirmed that 4'-Hydroxyisolonchocarpin and BrussochalconeA were safe and exhibited excellent pharmacological properties. Because 4'-Hydroxyisolonchocarpin and BrussochalconeA are flavonoid derivatives, they exhibit the chalcone's ring. The presence of the reactive α,ß-unsaturated system in the chalcone's rings showed different potential pharmacokinetics with an insignificant toxicological profile. Our comprehensive computational and statistical analysis reveals that these selected phytochemicals (4'-Hydroxyisolonchocarpin, BrussochalconeA) can be used to design potential broad antiviral inhibitors against SARS-CoV-2 and SARS-CoV-1.

Preparation, phase stability, and magnetization behavior of high entropy hexaferrites.

The polycrystalline SrFe12O19 samples deeply substituted up to at.67% by Al3+, Ga3+, In3+, Co3+, and Cr3+ cations with a high configurational mixing entropy were prepared by solid-phase synthesis. Phase purity and unit cell parameters were obtained from XRD and analyzed versus the average ionic radius of the iron sublattice. The crystallite size varied around ∼4.5 µm. A comprehensive study of the magnetization was realized in various fields and temperatures. The saturation magnetization was calculated using the Law of Approach to Saturation. The accompanying magnetic parameters were determined. The magnetic crystallographic anisotropy coefficient and the anisotropy field were calculated. All investigated magnetization curves turned out to be nonmonotonic. The magnetic ordering and freezing temperatures were extracted from the ZFC and FC curves. The average size of magnetic clusters varied around ∼350 nm. The high values of the configurational mixing entropy and the phenomenon of magnetic dilution were taken into account.

The status of natural radioactivity in Nigerian environments.

Proper documentation of baseline radiation data of different environments is an important step toward adequate environmental monitoring, and it provides quick means to quantitatively check and determine possible radionuclide contamination by anthropogenic sources. Besides, such documentation is useful for decision making processes, assessment of dose rates to the public, epidemiological studies, and environmental regulations. This review summarizes the results of studies conducted on radioactivity in Nigerian environments. For most soil samples, the levels of radioactivity are well within the world averages of 33, 45, and 420 Bq kg-1 for 226Ra, 232Th and 40K, respectively. Other soil samples from regions such as Abeokuta in the southwest, and Jos in the northcentral have been described as high background radiation areas with radioactivity values comparable with those obtained from known high background radiation areas such as the Odisha (formerly Orissa) coast in India (with values reported as 350, 2,825, and 180 Bq kg-1 for 238U/226Ra, 232Th, and 40K, respectively). In some parts of Nigeria, surface and underground water sources used for drinking and other purposes also present elevated levels of 226Ra above the world range of 0.01 to 0.1 Bq l-1 and the tolerable levels recommended by the World Health Organization and U.S. Environmental Protection Agency. Corresponding radiation doses due to measured radioactivities from different environments were estimated and compared with those reported in similar studies around the world. More so, the human and environmental health hazards that might be associated with the reported radioactivity in different environmental settings are discussed. The present report is expected to support authorities in developing appropriate regulations to protect the public from radiation exposure arising from environmental radioactivity. The report also examines other areas of consideration for future studies to ensure adequate radiation monitoring in Nigeria.

Features of Galvanostatic Electrodeposition of NiFe Films with Composition Gradient: Influence of Substrate Characteristics.

NiFe films with a composition gradient are of particular interest from the point of view of fundamental science and practical applications. Such gradient magnetic structures may exhibit unique functional properties useful for sensory applications and beyond. The issue surrounds the anomaly concerning the compositional gradient formed near the substrate in electrolytically deposited binary and ternary iron-containing alloys, which has not previously been clearly explained. In this work, light is shed on this issue, and a clear relationship is found between the structure and surface properties of the substrate, the initially formed NiFe layers and the film composition gradient.

Modeling and X-ray Analysis of Defect Nanoclusters Formation in B4C under Ion Irradiation.

In the presented work, B4C was irradiated with xenon swift heavy ions at the energy of 167 MeV. The irradiation of the substrate was done at room temperature to a fluence of 3.83 × 1014 ion/cm2. The samples were then analyzed with the X-ray diffraction technique to study the structural modification, as it can probe the region of penetration of xenon atoms due to the low atomic number of the two elements involved in the material under study. The nano-cluster formation under ion irradiation was observed. Positron lifetime (PLT) calculations of the secondary point defects forming nanoclusters and introduced into the B4C substrate by hydrogen and helium implantation were also carried out with the Multigrid instead of the K-spAce (MIKA) simulation package. The X-ray diffraction results confirmed that the sample was B4C and it had a rhombohedral crystal structure. The X-ray diffraction indicated an increase in the lattice parameter due to the Swift heavy ion (SHI) irradiation. In B12-CCC, the difference between τ with the saturation of H or He in the defect is nearly 20 ps. Under the same conditions with B11C-CBC, there is approximately twice the value for the same deviation.

Structural, Magnetic, and AC Measurements of Nanoferrites/Graphene Composites.

As a contribution to the graphene-based nanoferrite composites, this article is intended to present Mn, Co, and Co-Mn nanoferrites for the preparation and investigation of such samples. Nanoparticles of Co ferrite, Mn ferrite, and Co-Mn ferrite were chemically synthesized by the coprecipitation method. The composites of ferrite/graphene were made by incorporating weight ratios of 25% graphene to 75% ferrite. Various structural and characterizing investigations of ferrite samples and ferrite/graphene composites were performed, including XRD, EDX, SEM, VSM hysteresis loops, AC conductivity, and dielectric behavior. The investigations ensured the formation of the intended nanoferrite powders, each having a single-phase crystal structure with no undesired phases or elements. All samples exhibit a soft magnetic behavior. They show a semiconducting behavior of AC electrical conductivity as well. This was proved by the temperature dependence of the AC's electrical conductivity. Whereas the dielectric function and loss tangent show an expected, well-explained behavior, the ferrite/graphene composite samples have lower saturation magnetization values, lower AC conductivity, and dielectric constant values than the pure ferrites but still have the same behavior trends as those of the pure ferrites. The values obtained may represent steps on developing new materials for expected applications, such as manufacturing supercapacitors and/or improved battery electrodes.

Radiological Hazard Evaluation of Some Egyptian Magmatic Rocks Used as Ornamental Stone: Petrography and Natural Radioactivity.

Magmatic rocks represent one of the most significant rocks due to their abundance, durability and appearance; they can be used as ornamental stones in the construction of dwellings. The current study is concerned with the detailed petrography and natural radioactivity of seven magmatic rocks. All are commercial granitic rocks and are identified as black Aswan, Nero Aswan, white Halayeb, Karnak, Verdi, red Hurghada and red Aswan. Their respective mineralogical compositions are classified as porpheritic granodiorite, granodiorite, tonalite, monzogranite, syenogranite, monzogranite and syenogranite. A total of nineteen samples were prepared from these seven rock types in order to assess their suitability as ornamental stones. Concentrations of 226Ra, 232Th and 40K radionuclides were measured using NaI (Tl) scintillation gamma-ray spectrometry. Among the studied magmatic rocks, white Halayeb had the lowest average values of 226Ra (15.7 Bq/kg), 232Th (4.71 Bq/kg) and 40K (~292 Bq/kg), all below the UNSCEAR reported average world values or recommended reference limits. In contrast, the other granitic rocks have higher values than the recommended limit. Except for the absorbed dose rate, other radiological hazard parameters including radium equivalent activity, annual effective dose equivalent, external, and internal hazard indices reflect that the White Halyeb rocks are favorable for use as ornamental stone in the construction of luxurious and high-demand residential buildings.