BCl3 is toxic gas and its detection is of great importance. Thus, here, B3LYP, M06-2X, and B97D density functionals are utilized for probing the effect of decorating Zn, Cd, and Au on the sensing performance of an AlP nano-sheet (AlPNS) in detecting the BCl3. We predict that the interaction of pure AlPNS with BCl3 is physisorption, and the sensing response (SR) of AlPNS is approximately 9.2. The adsorption energy of BCl3 changes from −4.1 to −18.8, −19.1, and −19.5 kcal/mol by decorating the Zn, Cd, and Au metals into the AlPNS surface, respectively. Also, the corresponding SR meaningfully rises to 40.4, 59.0, and 80.9, indicating that by increasing the atomic number of metals, the sensitivity of metal decorated AlPNS (metal@AlPNS) is increased. Therefore, we found that Au-decorating much more increases the sensitivity of AlPNS toward BCl3. As energy decomposing analysis reveals the electrostatic, also known as cation-lone pair interaction, is mostly the nature of the interaction between the BCl3 and metal@AlPNS.
The dielectric constant of most polymers is very low; the addition of TiO2 particles into the polymers provides an attractive and promising way to reach a high dielectric constant. Polymer-based materials with a high dielectric constant show great potential for energy storage applications. Four samples were prepared, one of them was polyurethane (PU) and the other were PU with different weight percent (wt %) of TiO2 (0.1, 0.2, 0.3) powder AFM test was used to distinguish the nanoparticles. The result shows that the most shape of these nanoparticles are spherical and the roughness average is 0.798 nm. The dielectric properties were measured for all samples before and after the exposure to the UV radiation. The result illustrates that the
... Show MoreSTAG proteins, which are part of the cohesin complex and encoded by the STAG genes, are known as Irr1/Scc3 in yeast and as SA/STAG/stromalin in mammals. There are more variants as there are alternate splice sites, maybe three open reading frames (ORFs) code for three main proteins, including: SA1 (STAG1), SA2 (STAG2) and SA3 (STAG3). The cohesin protein complex has various essential roles in eukaryotic cell biology. This study compared the expression of the STAG1 gene in four different breast cancer cell lines, including: MCF-7, T-47D, MDA-MB-468, and MDA-MB-231 and normal breast tissue. RNA was extracted from these cell lines and mRNA was converted to cDNA, and then expression of the STAG1 gene was quantified by three sets of specific prim
... Show MoreThe correlation between dyslipidemia and the severity of coronavirus disease 2019 has been widely categorized. Dyslipidemia is one of the most dominant disorders among these patients. Systemic inflammation accompanied by cytokine storm hemostasis modifications and severe vasculitis have all been reported to occur among COVID-19 patients, and these may contribute to some severe complications.
The aim of this study is to assess the possible relationship between dyslipidemia and the severity of coronavirus disease 2019.
This work encompassed 200
Background: The synthesis and characterization of novel liquid crystalline compounds have garnered signi|cant attention due to their potential applications in biomedical sciences, including drug delivery systems, biosensing, and diagnostic tools. This study focuses on synthesizing and characterizing new thiazolothiadiazole-based liquid crystals and evaluating their mesophase properties. Methods: A series of novel compounds containing 5H-thiazolo[4,3−b][1,3,4] thiadiazole units were synthesized via multi-step chemical reactions. The synthesis involved the reaction of chloroethyl acetate with 4−hydroxybenzaldehyde to yield an aldehyde intermediate, followed by subsequent transformations using hydrazine hydrate, ethylacetoacetate, and 1,2
... Show MorePeriodontitis is a chronic inflammatory disease resulted from aggravated immune response to a dysbiotic subgingival microbiota of a susceptible host. Consequences of periodontitis are not only limited to the devastating effect on the oral cavity but extends to affect general health of the individual and also exerts economic burdens on the health systems worldwide. Despite these serious outcomes of periodontitis; however, they are avoidable by early diagnosis with proper preventive measures or non-invasive interventions at earlier stages of the disease. Clinically, diagnosis of periodontitis could be overlooked due to certain limitations of the conventional diagnostic methods such as periodontal charting and radiographs. Utilization of re
... Show MoreBased on the theoretical ideas of E. Cassirer, a methodology is developed and an analysis of the painting work by J. Saleem, a representative of modern Iraqi painting, is carried out. While comparing the artistic programme of J. Saleem and the views of E. Cassirer, the methodological potential of the theory of the symbol for the art criticism analysis of the regional painting is clarified. Comparative analysis with the inclusion of the works of B. Buffet, B. Turetsky, J. Miro helps to see the multiple meanings of the same cultural symbol in thematically similar works of different years, created in different socio-cultural circumstances. The article shows that for regions with a shorter history (France, Russia, Spain, etc.), which have lo
... Show MoreThis study explored the use of industrial acidic crude palm oil (ACPO) for biodiesel production, facing a significant obstacle due to its high free fatty acid (FFA) content, which complicates the biodiesel production process. Typically, esterification is employed to convert FFAs into fatty acid methyl ester (FAME). Herein, the effectiveness of tungstosilicic acid hydrate (TSAH) as an unsupported heteropoly acid (HPA) catalyst for FFA esterification in ACPO was investigated. The FFA content was reduced from 8.43% to 0.95% under optimum conditions (4 wt% catalyst dosage, a methanol to oil molar ratio of 10:1, 150 min and a temperature of 60°C). Noteworthy, the TSAH catalyst showed stability over 7
Topological indices provide important insights into the structural characteristics of molecular graphs. The present investigation proposes and explores a creative graph on a finite group G, which is known as the RIG. This graph is designated as ΓRS G2(4) indicating a simple undirected graph containing elements of G. Two distinct ertices are regarded as nearly the same if and only if their sum yields a non-trivial involution element in G. RIGs have been discovered in various finite groups. We examine several facets of the RIG by altering the graph through the conjugacy classes of G. Furthermore, we investigate the topological indices as applications in graph theory applying the distance matrix of the G2(4) group.
the electron correlation effect for inter-shell can be described by evaluating the fermi hole and partial fermi hole for Li atom comparing with Be+ and B+2 ions