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Abstract 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 ΔG o ads 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. Graphical Abstract

Abstract 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.

Abstract 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. Graphical Abstract

Abstract 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.

Abstract Heavy metal ion pollution is always a serious problem worldwide. Therefore, monitoring heavy metal ions in environmental water is a crucial and difficult step to ensure the safety of people and the environment. A mercury ion (Hg2+) fluorescence probe with excellent sensitivity and selectivity is described here. The functionalized graphitic carbon nitride nanosheets (T/G-C3N4) fluorescence probe was fabricated using melamine as a precursor by the pyrolysis technique, followed by a rapid KOH heat treatment method for 2 min. The chemical structure and morphology of the T/G-C3N4 probe were characterized using multiple analytical techniques including UV–Vis, SEM, XPS, XRD, and fluorometer spectroscopy. Geometry optimization of T/G-C3N4 as a modified probe was performed to assess its stability and interaction ability with Hg(II) via using the density function approach. The T/G-C3N4 probe showed a linear response based on quenching over the range 0–1.25 × 103 nM Hg(II); the detection limit was 27 nM. The remarkable sensitivity of T/G-C3N4 towards the Hg2+ ions was explained by the intense coordination and fast chelation kinetics of Hg2+ with the NH2, CN, C=N, and OH groups of T/G-C3N4 nanoprobe. The T/G-C3N4 probe demonstrates exceptional selectivity for Hg2+ ions among other metal ions including (Na+, Ag+, Mg2+, Fe2+, Fe3+, Co2+, Ni2+, Cd2+, K+, Ca2+, Cu2+, Pb2+, Mn2+ and Hg2+) and over a broad pH range (6–10), together with remarkable long-term fluorescence stability in water (> 30 days) and minimal toxicity. T/G-C3N4 was used to detect and quantify Hg2+ ions in tuna and mackerel fish and the results compared to ICP-AES. The results obtained offer a new simple and green technique for the design of multifunctional fluorescent probe appropriate for environmental applications. Graphical Abstract