Simulation of Depth of Wear of Eco-Friendly Concrete Using Machine Learning Based Computational Approaches

To avoid time-consuming, costly, and laborious experimental tests that require skilled personnel, an effort has been made to formulate the depth of wear of fly-ash concrete using a comparative study of machine learning techniques, namely random forest regression (RFR) and gene expression programming (GEP). A widespread database comprising 216 experimental records was constructed from available research. The database includes depth of wear as a response parameter and nine different explanatory variables, i.e., cement content, fly ash, water content, fine and coarse aggregate, plasticizer, air-entraining agent, age of concrete, and time of testing. The performance of the models was judged via statistical metrics. The GEP model gives better performance with R² and ρ equals 0.9667 and 0.0501 respectively and meet with the external validation criterion suggested in the previous literature. The k-fold cross-validation also verifies the accurateness of the model by evaluating R², RSE, MAE, and RMSE. The sensitivity analysis of GEP equation indicated that the time of testing is the influential parameter. The results of this research can help the designers, practitioners, and researchers to quickly estimate the depth of wear of fly-ash concrete thus shortening its ecological susceptibilities that push to sustainable and faster construction from the viewpoint of environmentally friendly waste management.     

Revealing the impact of strontium doping on the optical,electronic and electrical properties of nanostructured 2H-CuFeO2 delafossite thin films

Delafossite materials are considered to be a promising range of transparent conductive oxides for optoelectronic applications. The complications that have held back their implementation in practical devices lie in the complex growth methods that are required and in the formation of undesirable secondary phases. Herein, a fast, simple, and low-cost deposition method allowing the deposition of high-quality 2H-CuFeO₂ nanostructured thin films is employed. The effect of Sr doping on the properties of spray-coated CuFeO₂ thin film annealed at 850 °C is reported. X-ray diffraction (XRD) analysis revealed the delafossite structures of all the samples corresponding to the 2H-CuFeO₂ phase. The lattice spacing decreased with increasing substitution of Sr at the Cu site. Raman analysis further authenticated the structural results collected via XRD analysis. Surface scanning using field-emission scanning electron microscopy revealed the formation of nanostructured CuFeO₂ thin film possessing high crystalline quality, with the nanocrystal size increasing as the dopant content was increased. Energy-dispersive X-ray analysis allowed the quantification of the elements content via determining the ratios of the main elements as well as the dopant content in each sample. The optical properties of the samples showed strong light absorption in the visible region with a decrease in the band gap values with Sr insertion. First-principles calculations using density functional theory (DFT) were conducted to strengthen the experimental findings regarding the nature of the bonds in the hexagonal lattice of the CuFeO₂ compound and the effect of Sr doping on its characteristics. The electrical properties measured at room temperature revealed p-type conductivity with tunable resistivity, while the samples displayed increased electron mobility as a function of the dopant content. Consequently, our work introduced an efficient and cost-effective synthesis route for the preparation of high-quality nanostructured 2H-CuFeO₂ thin films, paving the way to facilitate further device applications.

Facile synthesis of the challenging 2H-CuFeO₂ delafossite nanostructured thin films is reported, and the effect of Sr doping is revealed experimentally and theoretically.     

Unraveling the microstructural and optoelectronic properties of solution-processed Pr-doped SrSnO3 perovskite oxide thin films

The inorganic stannous-based perovskite oxide SrSnO₃ has been utilized in various optoelectronic applications. Facilitating the synthesis process and engineering its properties, however, are still considered challenging due to several aspects. This paper reports on a thorough investigation of the influence of rare-earth (praseodymium) doping on the microstructural and optoelectronic properties of pure and Pr-doped SrSnO₃ perovskite oxide thin films synthesized by a two-step simple chemical solution deposition route. Structural analysis indicated the high quality of the obtained phase and the alteration generated from the insertion of impurities. Surface scanning illustrated the formation of homogenous and crack-free SrSnO₃ thin films with a nanorod morphology, with an augmentation in size as the dopant ratios increased. Optical properties analysis showed an enhancement in the samples optical absorption with wide-range bandgap tuning. First-principles calculations revealed the exchange interactions between the 3d–4f states and their impact on the electronic properties of the pristine material. Hall-effect measurements revealed an immense decrement in the resistivity of the films upon increment of doping ratios, passing from 7.3 × 10⁻² Ω cm for the undoped sample to 4.8 × 10⁻² Ω cm for 7% Pr content, while a reverse trend was observed on the carrier mobility, rising from 2.5 to 7.6 cm² V⁻¹ s⁻¹ for 7% Pr content. The results emphasized the efficiency of the simple synthesis route to produce high-quality samples. The current findings will contribute to paving the way towards expanding the utilization of simple and cost-effective chemical solution deposition methods for the fast and large area growth of stannous-based perovskite oxides for optoelectronic applications.

Unraveling the optical, electronic and electrical properties of high-quality nanorod morphology spray-coated Pr-doped SrSnO₃ perovskite oxide thin films.     

Atypical presentation of adenosine deaminase 2 deficiency with bi‐allelic ADA2 mutation

Herein, we report a case of VAIHS with atypical clinical presentation of perianal abscess, fistula fever, and bi‐cytopenia including pathogenic ADA2 mutation suggesting that ADA2 deficiency be considered as a differential diagnosis of enlarging cutaneous abscess with no evidence of wound healing in the setting of leukopenia and neutropenia.     

Synthesis and docking studies of N-(5-(alkylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide analogues as potential alkaline phosphatase inhibitors

A series of N-(5-(alkylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamides 6a–i were synthesized as alkaline phosphatase inhibitors. The intermediate 5-substituted 1,3,4-oxadiazole-2-thione 4 was synthesized starting with hippuric acid. Hippuric acid in the first step was converted into corresponding methyl ester 2 which upon reaction with hydrazine hydrate furnished the formation of hydrazide 3 . The hippuric acid hydrazide was then cyclized into 5-substituted 1,3,4-oxadiazole-2-thione 4 . The intermediate 4 was then reacted with alkyl or aryl halides 5a–5i to afford the title compounds N-(5-(methylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamides 6a–i . The bioassay results showed that compounds 6a–i exhibited good to excellent alkaline phosphatase inhibitory activity. The most potent activity was exhibited by the compound 6i having IC₅₀ value 0.420 μM, whereas IC₅₀ value of standard (KH₂PO₄) was 2.80 μM. Molecular docking studies was performed against alkaline phosphatase enzyme (PDBID 1EW2) to check binding affinity of the synthesized compounds 6a–i against target protein. The docking results showed that three compounds 6c , 6e , and 6i have maximum binding interactions with binding energy values of −8 kcal/mol. The compound 6i displayed the interactions of oxadiazole ring nitrogen with amino acid His265 having a binding distance 2.13 Ǻ. It was concluded from our results that synthesized compounds, especially compound 6i may serve as lead structure to design more potent inhibitors of human alkaline phosphatase.     

Endothelium and hypertensive disorders in pregnancy

Pregnancy-induced hypertension is one of the complications that obstetricians fear most due to its sudden appearance, its changing clinical presentation, its rapid evolution, and its association with high fetal and maternal morbidity and mortality. Because of these reasons, preeclampsia has been studied widely. But although the search for answers to many questions about its etiopathogenesis and physiopathology has led to numerous researches, after many years of studies and efforts there still exist obscure and enigmatic aspects about them. Today, various risk factors for the development of this entity have been identified, and a combination of different hypotheses has been proposed to try to find an approximation to the real solution for this problem, which could probably lead to better therapeutic management.     

Decreased expression of e6-associated protein in breast and prostate carcinomas

The E6-associated protein (E6-AP) is a dual function protein. It acts as an E3 ubiquitin-protein ligase as well as a steroid hormone receptor coactivator. Considering the influence of steroid hormone receptors and their coactivators in the normal development and tumorigenesis of reproductive organs of both genders, we examined the roles of E6-AP in the tumorigenesis of breast and prostate tissues. We demonstrated that the expression of E6-AP protein is decreased in human invasive breast and prostate carcinomas compared with their adjacent normal tissues, and this down-regulation of E6-AP is accompanied by the up-regulation of estrogen receptor (ER)-alpha in breast and androgen receptor (AR) in prostate carcinomas. Furthermore, our in vivo data from E6-AP-knockout animals indicated that the expression levels of ERalpha and AR are increased in E6-AP-null mammary and prostate glands, respectively, when compared with that of normal control animals, suggesting that E6-AP modulates the protein levels of ERalpha in breast and AR in prostate glands.