Synthesis, characterization, and evaluation of polymeric surfactants derived from PET plastic waste as green corrosion inhibitor of steel surfaces in marine environment for heavy industry.

The aim of this work was to prepare a nonionic polymeric surfactant from a recycled product of poly(ethylene terephthalate) plastic waste, PET. In this respect, PET waste was subjected to reverse polymerization (depolymerization) reaction with both ethylene diamine (EDA) in the presence of a catalyst and propylene glycol (PG) in the presence of a transesterification catalyst. The corresponding products obtained were poly amino amide (PETAA) and poly glycol ester (PETPG), respectively.

Naturally occurring phenylethanoids and phenylpropanoids: antimalarial potential.

Malaria as an infectious disease is one of the world's most dangerous parasitic diseases. There is an urgent need for the development of new antimalarial drugs. Natural products are a very rich source of new bioactive compounds.

studies on the pharmacological potential, anti-tumor, antimicrobial, and acetylcholinesterase inhibitory activity of marine-derived AG6 exopolysaccharide.

In the current study, AG6 was isolated from sediment samples in the Red Sea, identified by traditional microbiological techniques and phylogenetic 16S rRNA sequences. Among eight isolates screened for exopolysaccharide (EPS) production, the R6 isolate was the highest producer with a significant fraction of EPS (EPSF6, 5.79 g L).

Design, synthesis and antiproliferative screening of newly synthesized acrylate derivatives as potential anticancer agents.

A new series of acrylic acid and acrylate ester derivatives as modified analogs of tubulin polymerization inhibitors were designed and synthesized. The antiproliferative activity of the constructed molecules was investigated against MCF-7 breast carcinoma cells using CA-4 as positive molecule. Methyl acrylate ester 6e emerged as the most potent cytotoxic agent against MCF-7 cells, with an IC value of 2.

Detail computational study about the structural, electronic, optical, and mechanical properties of RbVX (Cl, Br, I) halide perovskite materials.

The non-toxic nature of lead-free materials with cubic perovskite structure has attracted the researcher's attention, and huge work is ongoing for the search of such materials. Furthermore, due to demand for their utilization in diverse applications, such as photovoltaic and optoelectronics, these inorganic-halide materials have become more enchanting for engineers. In the present work, all the key properties, including structural, electronic, optical, and mechanical, of rubidium based RbVX (where X is chlorine, bromine, and iodine) materials were extensively studied first-principle density functional theory (DFT).

Large-scale sonochemical fabrication of a CoO-CoFeO@MWCNT bifunctional electrocatalyst for enhanced OER/HER performances.

Herein, we have prepared a mixed-phase CoO-CoFeO@MWCNT nanocomposite through a cheap, large-scale, and facile ultrasonication route followed by annealing. The structural, morphological, and functional group analyses of the synthesized catalysts were performed by employing various characterization approaches such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). The resultant samples were tested for bifunctional electrocatalytic activity through various electrochemical techniques: cyclic voltammetry (CV), linear sweep voltammetry (LSV), and electrochemical impedance spectroscopy (EIS).

Exploring the effects of palm kernel meal feeding on the meat quality and rumen microorganisms of Qinghai Tibetan sheep.

Palm kernel meal (PKM) has been shown to be a high-quality protein source in ruminant feeds. This study focused on the effects of feed, supplemented with different amounts of PKM (ZL-0 as blank group, and ZL-15, ZL-18, and ZL-21 as treatment group), on the quality and flavor profile of Tibetan sheep meat. Furthermore, the deposition of beneficial metabolites in Tibetan sheep and the composition of rumen microorganisms on underlying regulatory mechanisms of meat quality were studied based on ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry as well as 16S rDNA sequencing.

Guava-fruit based synthesis of carbon quantum dots for spectrofluorometric quantitative analysis of risperidone in spiked human plasma and pharmaceutical dosage forms.

Autism is one of the most pressing issues facing the international community in recent years, particularly in Middle Eastern countries. Risperidone is a selective serotonin type 2 and dopamine type 2 receptor antagonist. It is the most administered antipsychotic medication in children with autism-related behavioral disorders.

Current status of -, -, -heterocycles as potential alkaline phosphatase inhibitors: a medicinal chemistry overview.

Heterocycles are a class of compounds that have been found to be potent inhibitors of alkaline phosphatase (AP), an enzyme that plays a critical role in various physiological processes such as bone metabolism, cell growth and differentiation, and has been linked to several diseases such as cancer and osteoporosis. AP is a widely distributed enzyme, and its inhibition has been considered as a therapeutic strategy for the treatment of these diseases. Heterocyclic compounds have been found to inhibit AP by binding to the active site of the enzyme, thereby inhibiting its activity.

A highly explicit electrochemical biosensor for catechol detection in real samples based on copper-polypyrrole.

Catechol is a pollutant that can lead to serious health issues. Identification in aquatic environments is difficult. A highly specific, selective, and sensitive electrochemical biosensor based on a copper-polypyrrole composite and a glassy carbon electrode has been created for catechol detection.

Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl (X = Rb, Cs): a first-principles calculations.

Perovskites are a significant class of materials with diverse uses in modern technology. The structural, electronic, elastic, thermoelectric, and optical properties of RbTiCl and CsTiCl perovskites were estimated using the FP-LAPW method within the framework of density functional theory. The exchange-correlation energy of both analyzed systems was calculated using the Generalized Gradient Approximation (GGA) functional.

First-principles calculations to investigate physical properties of orthorhombic perovskite YBO (B = Ti & Fe) for high energy applications.

Orthorhombic oxide perovskite compounds are very promising materials for the applications of optoelectronics and thermal barrier coating. This work represents a numerical simulation of YBO compounds through the first-principles approach. The electronic and magnetic properties are investigated employing the general gradient approximation (GGA) coupled to the integration of the Hubbard U-term which is the GGA + U.

Effect of laser irradiated silver doped polystyrene/polyethylene terephthalate (PET) thin film for solar cell applications.

In the current research, the resist action of silver-doped polystyrene/polyethylene terephthalate (PET) solar thin film towards laser irradiation was observed. Moreover, silver-doped polystyrene nanoparticles were synthesized a chemical technique while the PET film was purchased from the commercial market. Nd:YAG pulsed laser has been used to irradiate the samples at 2 minutes, 4 minutes, and 6 minutes respectively.

Synthesis and characterization of new 1,3,4-thiadiazole derivatives: study of their antibacterial activity and CT-DNA binding.

1,3,4-Thiadiazole molecules (1-4) were synthesized by the reaction of phenylthiosemicarbazide and methoxy cinnamic acid molecules in the presence of phosphorus oxychloride, and characterized with UV, FT-IR, C-NMR, and H-NMR methods. DFT calculations (b3lyp/6-311++G(d,p)) were performed to investigate the structures' geometry and physiochemical properties. Their antibacterial activity was screened for various bacteria strains such as , ATCC 13048, , , , and Gram positive such as ATCC 25923, ATCC 7644, , , ATCC, , , , alfa , and found to have an inhibitory effect on and , while molecules 1, 3 and 4 had an inhibitory effect on and alpha .

and computational investigations of novel synthetic carboxamide-linked pyridopyrrolopyrimidines with potent activity as SARS-CoV-2-M inhibitors.

An essential target for COVID-19 is the main protease of SARS-CoV-2 (M). With the objective of targeting this receptor, a novel set of pyrido[1,2-]pyrrolo[2,3-]pyrimidines with terminal carboxamide fragments was designed, synthesized, and considered as an initial motif for the creation of effective pan-coronavirus inhibitors. Accordingly, nine derivatives (21-29) have been introduced for assay to evaluate their antiviral activity and cytotoxicity effect against COVID-19 virus using Vero cells.

Unveiling the non-polar [3+2] cycloaddition reactions of cyclic nitrones with strained alkylidene cyclopropanes within a molecular electron density theory study.

The role of cyclopropane substitution on the ethylene in [3+2] cycloaddition (32CA) reactions of cyclic nitrones has been studied within Molecular Electron Density Theory (MEDT) at the B97X-D/6-311G(d,p) computational level. Electron Localization Function (ELF) analysis of the ethylenes shows that the presence the cyclopropane only slightly increases the electron density in the C-C bonding region. Analysis of the Conceptual DFT reactivity indices indicates that the presence of the cyclopropane does not produce any remarkable change in the reactivity of these strained ethylenes.

Construction of a binary S-scheme S-g-CN/Co-ZF heterojunction with enhanced spatial charge separation for sunlight-driven photocatalytic performance.

A step-scheme (S-scheme) photocatalyst made of sulfurized graphitic carbon nitride/cobalt doped zinc ferrite (S-g-CN/Co-ZF) was constructed using a hydrothermal process because the building of S-scheme systems might increase the lifespan of highly reactive charge carriers. Utilizing cutting-edge methods, the hybrid photocatalyst was evaluated by employing TEM, XPS, XRD, BET, FTIR, transient photo-response, UV-vis, EIS and ESR signals. In order to create a variety of binary nanocomposites (NCs), nanoparticles (NPs) of 6% cobalt doped zinc ferrite (Co-ZF) were mixed with S-g-CN at various concentrations, ranging from 10 to 80 wt%.

A comparative analysis of deep neural network architectures for the dynamic diagnosis of COVID-19 based on acoustic cough features.

The study aims to assess the detection performance of a rapid primary screening technique for COVID-19 that is purely based on the cough sound extracted from 2200 clinically validated samples using laboratory molecular testing (1100 COVID-19 negative and 1100 COVID-19 positive). Results and severity of samples based on quantitative RT-PCR (qRT-PCR), cycle threshold, and patient lymphocyte numbers were clinically labeled. Our suggested general methods consist of a tensor based on audio characteristics and deep-artificial neural network classification with deep cough convolutional layers, based on the dilated temporal convolution neural network (DTCN).

Implementation of surface functionalization of MnS nanoparticles for achieving novel optical properties and improving therapeutic potential.

In the past few years, metal sulfide nanoparticles (NPs) have achieved enormous interest due to their photo and electrochemical properties, which can compete with the existing metal oxide NPs. However, there are fewer reports on the synthesis and the mechanism of surface functionalization of these NPs to achieve intrinsic optical properties. Here, we demonstrate a novel method for the synthesis and the surface modification of manganese sulfide (MnS) NPs to achieve intrinsic photoluminescence and special electrochemical properties.

DFT study of alkali and alkaline earth metal-doped benzocryptand with remarkable NLO properties.

Strategies for designing remarkable nonlinear optical materials using excess electron compounds are well recognized in literature to enhance the applications of these compounds in nonlinear optics. In this study, density functional theory simulations are performed to study alkali and alkaline earth metal-doped benzocryptand using the B3LYP/6-31G+(d, p) level of theory. Vertical ionization energies (VIEs), reactivity parameters, interaction energies, and binding energies exposed the thermodynamic stability of these complexes.

Enhancing the physical properties and photocatalytic activity of TiO nanoparticles cobalt doping.

Cobalt-doped TiO-based diluted magnetic semiconductors were successfully synthesized using a co-precipitation method. The X-ray diffraction study of all the samples showed good crystallinity, matching the standard tetragonal anatase phase. The X-ray diffraction peaks of the cobalt-doped sample slightly shifted towards a lower angle showing the decrease in particle size and distortion in the unit cell due to cobalt incorporation in the lattice of TiO.

Diluted magnetic semiconductor properties in TM doped ZnO nanoparticles.

The hydrothermal method was used to create dilute magnetic semiconductor nanoparticles of Zn Co O ( = 0, 0.01, 0.05, 0.

Tb-atorvastatin doped in poly(ethylene glycol) optical biosensor for selective determination of progesterone and testosterone in serum samples.

An innovative, simple and cost effective Tb-atorvastatin photo probe was designed and used as a core for a spectrofluorometric approach to sensitively determine two vital biological compounds in serum samples. Tb-atorvastatin complex displays a characteristic electrical band with at 545 nm with significant luminescence intensity, which is quenched in the presence of progesterone and testosterone at two variant sets of pH; 6.2 and 7.