Synthesis of new binary trimethoxyphenylfuran pyrimidinones as proficient and sustainable corrosion inhibitors for carbon steel in acidic medium: experimental, surface morphology analysis, and theoretical studies.

In this study, synthesis and assessment of the corrosion inhibition of four new binary heterocyclic pyrimidinones on CS in 1.0 M hydrochloric acid solutions at various temperatures (30-50 °C) were investigated. The synthesized molecules were designed and synthesized through Suzuki coupling reaction, the products were identified as 5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (HM-1221), 2-thioxo-5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)dihydropyrimidine-4,6(1H,5H)-dione (HM-1222), 1,3-diethyl-2-thioxo-5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)dihydropyrimidine-4,6(1H,5H)-dione (HM-1223) and 1,3-dimethyl-5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (HM-1224). The experiments include weight loss measurements (WL), electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP). From the measurements, it can be shown that the inhibition efficiency (η) of these organic derivatives increases with increasing the doses of inhibitors. The highest η recorded from EIS technique were 89.3%, 90.0%, 92.9% and 89.7% at a concentration of 11 × 10-6 M and 298 K for HM-1221, HM-1222, HM-1223, and HM-1224, respectively. The adsorption of the considered derivatives fit to the Langmuir adsorption isotherm. Since the ΔGoads values were found to be between - 20.1 and - 26.1 kJ mol-1, the analyzed isotherm plots demonstrated that the adsorption process for these derivatives on CS surface is a mixed-type inhibitors. Scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), atomic force microscope (AFM) and Fourier- transform infrared spectroscopy (FTIR) were utilized to study the surface morphology, whereby, quantum chemical analysis can support the mechanism of inhibition. DFT data and experimental findings were found in consistent agreement.

A novel fluorescent probe based imprinted polymer-coated magnetite for the detection of imatinib leukemia anti-cancer drug traces in human plasma samples.

Myeloid leukemia is a chronic cancer, which associated with abnormal BCR-ABL tyrosine kinase activity. Imatinib (IMB) acts as a tyrosine kinase inhibitor and averts tumor growth in cancer cells by controlling cell division, so it is urgent to develop an effective assay to detect and monitor its IMB concentration. Therefore, an innovative fluorescent biomimetic sensor is a promising sensing material that constructed for the efficient recognition of IMB and displays excellent selectivity and sensitivity stemming from molecularly imprinted polymer@Fe3O4 (MIP@Fe3O4). The detection strategy depends on the recognition of IMB molecules at the imprinted sites in the presence of coexisting molecules, which are then transferred to the fluorescence signal. The synthesized MIP@Fe3O4 was characterized using Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), and atomic force microscopy (AFM). Furthermore, computational studies of the band gap (EHOMO-ELUMO) of the monomers, IMB, and their complexes were performed. These results confirmed that the copolymer is the most appropriate and has high stability (Binding energy; 0.004 x 10-19 KJ) and low reactivity. A comprehensive linear response over IMB concentrations from 5 × 10-6 mol/L to 8 × 10-4 mol/L with a low detection limit of 9.3 × 10-7 mol/L was achieved. Furthermore, the proposed technique displayed long-term stability (over 2 months), high intermediate precision (RSD<2.1 %), good reproducibility (RSD <1.9 %), and outstanding selectivity toward IMB over analogous molecules with similar chemical and spatial structure (no interference by 100 to 150-fold of the competitors). Owing to these merits, the proposed fluorescence sensor was utilized to detect IMB in drug tablets and human plasma, and satisfactory results (99.3-100.4 %) were obtained. Thus, the synthesized fluorescence sensor is a promising platform for IMB sensing in various applications.

Synthesis, Antimicrobial Evaluation, DFT, and Molecular Docking Studies of Pyrano [4,3-b] Pyranone and Pyrano[2,3-b]Pyridinone Systems.

Dehydroacetic acid (DHA) was utilized as a fundamental precursor in the synthesis of novel pyrano [4,3-b] pyran and pyrano [2,3-b] pyridine systems. Whereas, a new series of fused polyheteronuclear systems was achieved through the reaction of DHA with active methylene compounds such as malononitrile and pyrazolone. Whereas, the treatment of DHA 1 with cyclic ketones involving cyclohexanone and cyclododecanone afforded annulated tricyclic system 6 and spiro hybrid molecule 7. Also, the reaction of DHA 1 with cyanoacetamide derivatives 8 and 11 yielded their corresponding novel pyrano [2,3-b] pyridine-6-carbonitrile frameworks 9 and 12, respectively. Also, in silico predictive theoretical molecular docking studies for bioactive synthesized scaffolds against both HER2 and 6BBP displayed an optimistic result for compounds 2 b, 5, 9, and 12 highlighting their expediency as up-and-coming candidates for future preclinical trials. Additionally, all compounds were assessed as antibacterial agents against various types of four candidates of bacteria in the presence of ampicillin as a reference. Notably, compounds 6, 7, and 12 showed promising antibacterial potential against Bacillus subtilis with activity indexes (69.6, 91.3, and 82.6 %), respectively.

Novel synthesized triazole derivatives as effective corrosion inhibitors for carbon steel in 1M HCl solution: experimental and computational studies.

This article outlines the synthesis of two derivatives of 4-amino-5-hydrazineyl-4H-1,2,4-triazole-3-thiol for the prevention of carbon steel corrosion in 1M HCl solution. These derivatives are (Z)-3-(1-(2-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)hydrazono)ethyl)-2H-chromen-2-one (TZ1) and 5-(2-(9H-fluoren-9-ylidene)hydrazineyl)-4-amino-4H-1,2,4-triazole-3-thiol (TZ2). Weight loss, electrochemical experiments, surface examinations, and theoretical computation are used to evaluate the effectiveness of the two compounds to be used as corrosion inhibitors. Weight loss and electrochemical studies demonstrate that these derivatives reduce the corrosion rate of carbon steel. To examine the morphology and constitution of the carbon steel surface submerged in HCl solution as well as after adding inhibitors, surface examination tests are performed. Analysis of the test solution via UV-visible spectroscopy is employed to check the possibility of complex formation between inhibitor molecules and Fe2+ ions released during the corrosion process. In order to explore their biological activity, the antibacterial activity was investigated against (E. coli and Bacillus subtilis). Finally, theoretical confirmation of the experimental findings is provided by quantum chemical (DFT) and Monte Carlo (MC) simulation studies. More adsorption sites are present in the derivatives of 4-amino-5-hydrazineyl-4H-1,2,4-triazole-3-thiol, which offer a novel perspective for developing new classes of corrosion inhibitors with substantial protective efficacy, especially at high temperatures.

Synthesis of inventive biphenyl and azabiphenyl derivatives as potential insecticidal agents against the cotton leafworm, Spodoptera littoralis.

The emergence of pest resistance of Spodoptera littoralis (order; Lepidoptera, family; Noctuidae) towards the large scale of different classes of insecticides necessitates the development of some new poly-functionalized biphenyl and azabiphenyl with highly anticipated insecticidal bioresponse. Four new biphenyl carboxamidines 4a-d and four aza-analogue picolinamidine derivatives 8a-d were designed and prepared via the treatment of their corresponding carbonitriles with lithium-bis trimethylsilylamide [LiN(TMS)2], followed by hydrolysis with hydrogen chloride. Furthermore, these compounds were elucidated by spectral data, and their toxicity and insecticidal activity were screened against Spodoptera littoralis. Whereby, toxicological and biochemical aspects of the inventively synthesized biphenyl and azabiphenyl derivatives against the cotton leafworm, Spodoptera littoralis were inspected. As regards the indomitable LC50 and LC90 values, biphenyl and aza-analogues 8d, 8a, 4b, and 8b, revealed the furthermost forceful toxic effects with LC50 values of 113.860, 146.265, 216.624, and 289.879 ppm, respectively. Whereby, their LC90 values are 1235.108, 1679.044, 2656.296, and 3381.256 ppm, respectively, and toxicity index being 22.31%, 17.36%, 11.72%, and 8.76%, respectively, comparing with the already recommended, methomyl insecticide, lannate 90% SP (LC50, 25.396 and LC90, 57.860 and toxicity index, 100%). Additionally, electrochemical parameters via DFT studies were carried out for demonstrating and elucidation of structure-activity relationship (SAR) according to highly motived compounds, descriptors, and the in vivo insecticidal activities.

Novel biphenylidene-thiopyrimidine derivatives as corrosion inhibitors for carbon-steel in oilfield produced water.

The inhibiting efficiency of three newly synthesized organic compounds:5-((4'-(dimethylamino)-[1,1'-biphenyl]-4-yl)methylene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (HM-1228), 5-((4'-(dimethylamino)-[1,1'-biphenyl]-4-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (HM-1227) and 5-((4'-(dimethylamino)-[1,1'-biphenyl]-4-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (HM-1226) in oilfield produced water on the corrosion of carbon steel has been examined via electrochemical measurements; potentiodynamic polarization (PDP) and electrochemical impedance (EIS) techniques. The adsorption of these compounds on the surface of carbon steel followed Langmuir isotherm. In addition, the surface morphology of uninhibited and inhibited carbon steel was examined by Atomic Force Microscopy (AFM), observing surface improvement when carbon steel samples exposed to the inhibited corrosive solutions. The average surface roughness (Ra) in oilfield produced water solution in the presence of 0.5 mM of HM-1228 inhibitor was 138.28 nm compared to the uninhibited surface 571.62 nm. To explore the corrosion inhibition mechanism, quantum chemical calculations and Monte Carlo simulations were utilized. The HM-1228 inhibitor demonstrated the highest corrosion inhibition efficiency at 94.8% by PDP measurements. The higher corrosion inhibition of compound HM-1228 can be attributed to the presence of di-N-ethyl groups that enhance both electron donating ability and lipophilic properties.

A fruitful century for the scalable synthesis and reactions of biphenyl derivatives: applications and biological aspects.

This review provides recent developments in the current status and latest synthetic methodologies of biphenyl derivatives. Furthermore, this review investigates detailed discussions of several metalated chemical reactions related to biphenyl scaffolds such as Wurtz-Fittig, Ullmann, Bennett-Turner, Negishi, Kumada, Stille, Suzuki-Miyaura, Friedel-Crafts, cyanation, amination, and various electrophilic substitution reactions supported by their mechanistic pathways. Furthermore, the preconditions required for the existence of axial chirality in biaryl compounds are discussed. Furthermore, atropisomerism as a type of axial chirality in biphenyl molecules is discussed. Additionally, this review covers a wide range of biological and medicinal applications of the synthesized compounds involving patented approaches in the last decade corresponding to investigating the crucial role of the biphenyl structures in APIs.

Electrochemical sensing of sodium dehydroacetate in preserved strawberries based onin situ pyrrole electropolymerization at modified carbon paste electrodes.

Sodium dehydroacetate (SDA) is one of the most common additives and preservatives in food, especially for strawberries, due to its fungicidal and antibacterial effects. Therefore, an innovative electrochemical sensor, depending on carbon paste electrode (CPE) modulated with multi-walled carbon nanotubes and molecularly imprinted polymers, was constructed for in situ detection of SDA. Based on density functional theory calculations, the polymer film was imprinted on the modified CPE surface via electrochemical polymerization of pyrrole in the presence of SDA. The morphology and electrochemical behavior of the synthesized sensors were characterized using different techniques. Under optimal conditions,a wide linear range (4.1 × 10-6 -1.2 mM)with a detection limit of 0.13 nM was obtained using differential pulse voltammetry and electrochemical impedance spectroscopy. The proposed sensor displayed superb selectivity for SDA, good precision (RSD = 2.7%), and high stability (˃4 weeks). Thus, it was successfully applied to determine SDA in strawberry samples with excellent recoveries (96.7%-100%).

Enhanced performance of hydroxyl and cyano group functionalized graphitic carbon nitride for efficient removal of crystal violet and methylene blue from wastewater.

This work reports the synthesis of an innovative multifunctional carbon nitride based adsorbent and its successful application for the removal of crystal violet (CV) and methylene blue (MB) from wastewater. The functionalized graphitic carbon nitride (f/g-CN) adsorbent was produced by the pyrolysis of melamine followed by thermal alkali treatment to introduce OH, NH x , and CN groups onto the graphitic carbon nitride (g-CN) surface. Experimental data obtained from batch tests revealed that the maximum adsorption capacities of g-CN and f/g-CN were found to be 28.9 and 239.0 mg g-1 for MB, and 163.0 and 532.0 mg g-1 for CV, respectively, at pH 8, 25 °C and after 90 min. This increase in adsorption capacity of f/g-CN can be explained by the presence of multiple functional groups in its structure. f/g-CN showed 100% removal for MB and CV with concentrations lower than 100 ppm and the equilibrium time required for the 100% removal of 500 ppb dye is 60 seconds. Additionally, the experimental data fitted well with the Langmuir isotherm model (R 2 = 0.992) and pseudo second order kinetic model (R 2 = 0.999) suggesting that the mechanism of adsorption is based on π-π stacking and electrostatic interactions between the NH x and OH groups of f/g-CN and dye molecules with monolayer formation. Moreover, a reusability test showed that the adsorption capacity remained at around 90% after 7 cycles. This work highlights the merits of the prepared adsorbent f/g-CN which is an eco-friendly, stable, efficient, and reusable adsorbent for removing cationic dyes from wastewater.

3-(Bromoacetyl)coumarins: unraveling their synthesis, chemistry, and applications.

This review emphasizes recent developments in synthetic routes of 3-(bromoacetyl)coumarin derivatives. Also, chemical reactions of 3-(bromoacetyl)coumarins as versatile building blocks in the preparation of critical polyfunctionalized heterocyclic systems and other industrially significant scaffolds are described. Recent advances of 3-(bromoacetyl)coumarins as attractive starting points towards a wide scale of five and six-membered heterocyclic systems such as thiophenes, imidazoles, pyrazoles, thiazoles, triazoles, pyrans, pyridines, thiadiazins as well as fused heterocyclic systems have been reported. Additionally, this review covers a wide range of analytical chemistry, fluorescent sensors, and biological applications of these moieties, covering the literature till May 2021.