The corrosion inhibition power of an eco-friendly green inhibitor Ixora coccinea extract (ICE) for mild steel in 1 M HCl and 0.5 M H2SO₄ was analysed using physicochemical and electrochemical techniques. 1–5 v/v% ICE was prepared and added into the corrosive acidic media for different analyses. Weight loss measurements conducted for a period of 24hrs for mild steel immersion revealed 89.38% and 77.96% inhibition capacity of ICE in 1 M HCl and 0.5 M H2SO₄ medium respectively. Electrochemical impedance parameters show that as concentration is increased, efficiency increases and double layer capacitance decreases. Potentiodynamic polarization techniques are also in good agreement with impedance studies and exhibit the mixed type inhibition character of ICE. Electrochemical noise spectrum also strongly supports the anti-corrosive property of ICE and the magnitude of noise signal decreases concerning the increase in ICE concentration. Ixorene, which is one of the major constituents of Ixora coccinea leaves was also studied for its corrosion inhibition nature by quantum mechanical calculations and was found to match with all other results. Adsorption studies of ICE are in accordance with Langmuir isotherm. Surface morphological studies confirm the formation of a protective barrier on mild steel surface in both media, i.e., 1 M HCl and 0.5 M H2SO₄.

In a short runtime process (about 6 minutes), with isocratic method without need of reconditioning before the next run, a mixture of some molecules containing 4-aminophenol (4APh), phenol, 3-nitrosalicylic acid (3NSA), and mesalamine (5-aminosalicylic acid) (MLZ), were separated and detected by means of HPLC/UV-Vis system. The resolutions of the separated and sharp peaks referring to the mentioned compounds were at least more than 2, and the tailing factor (TF) was about 1, even in 1 µg/l (ppm) concentration. In order to optimize the method, the effects of the pH, eluent percentage, flow rate, and buffer concentration, and wavelength on the chromatogram were investigated. Also, the results of the validation processes showed that the method trustable to be used in laboratories.

Curcumin loading capacity of polyethylene glycol (PEG) functionalized graphene and graphene oxides are investigated using molecular dynamics and Monte Carlo (MC) adsorption locator simulations. These simulation methods were performed as a function of oxidation extent to study the effect of functional groups on curcumin loading and release properties. Adsorption locator energy calculations suggest that the curcumin drug molecule prefers to adsorb at the less oxidized sites of graphene oxide. One of the phenolic rings of curcumin drug prefers to have a planar interaction with graphene and graphene oxide framework due to the pi-pi interaction. Molecular dynamic studies are conducted in aqueous medium under neutral pH. Mean square displacement and radial distribution functions are obtained to determine the nature of the curcumin attachment and release in aqueous medium. The molecular simulations show that separation distance of the curcumin molecule from GO sheet is 4.4 Å. The molecular simulations presented in this work will help to design new synthetic methods of nanocarriers for curcumin delivery applications.

One-pot synthesis of highly substituted pyridines has been demonstrated via multicomponent reaction of aldehydes, malononitrile and thiophenol using Mg-Al hydrotalcite as a solid base and reusable catalyst. The catalytic activity is intimately connected to the basicity of the catalyst. The best activities were observed with the Mg/Al: 5 catalyst. The catalyst could be reused for further run without a significant loss in activity. The protocol was also applicable for various aromatic aldehydes which affords desired product in good to excellent yield.

This study was focused to investigate the adsorptive behavior of activated carbon prepared from wheat straw treated with acid and base for the removal of 2, 4-dichlorophenoxy acetic acid (2,4-D). The morphology of the adsorbent was characterized using infrared spectroscopy and scanning electron microscopy. Compared with acid activated wheat straw, base activated wheat straw has provided lower ash content, moisture and volatile matter. However, it has higher iodine number than acid activated wheat straw. The removal of 2,4-D from aqueous solution was investigated at various physicochemical parameters such as pH (2–10), contact time (5–60 min), temperature (20-80 oC), amount of adsorbent (0.1-1.4 g) and initial concentration of 2,4-D (1.0-25 mg/L). The removal efficiency of 2,4-D in aqueous solution was found to be 92.02%. The equilibrium data were analyzed using Langmuir and Freundlich isotherm and the Langmuir model better describes that the active adsorption sites were homogeneously distributed on the surface of the adsorbent. Therefore, the activated carbon prepared from wheat straw treated with base can be used as efficient and cost-effective method to remove 2,4-D from aqueous solution.

A simple and efficient method for the synthesis of fifteen novel ketene dithioacetals (2-(6-amino5-cyano-4-aryl-4H-1,3-dithiin-2-ylidene) malononitrile) via a one-pot three-component reaction of activated methylene group malononitrile with carbon disulfide in the presence of arylidene malononitriles were reported. The effects of LiOH.H₂O as a base at different concentrations have been investigated and can provide products in good yields at 40-50ºC temperature (54-89%). All the synthesized ketene dithioacetals compounds (MCB1-MCB15) were checked for favorable pharmacokinetic param¬eters along with toxicities which are based on drug-likeness explained by Lipinski’s rule of five by Med chem designer software correlated with that of pkCSM online tool. Explorations of synthesized ketene dithioacetals compounds for the antimicrobial study were found to be effective towards Staphylococcus aureus (MCB5 and MCB13) with a zone of inhibition at 26mm and 22mm which is compared to that of standard ciprofloxacin (26mm). This made our study to explore the inhibition mechanism with the help of molecular docking studies with possible binding energies (-6.4 to -8.9 kJ/mol) by pyrx 0.8 software to represent a good prediction of interactions between the ligand and protein (2XCT). Further evaluation of druggability and ADMET predictions compounds MCB5 and MCB13 were found to be effective. Based on the in-vitro and in-silico studies a series of ketene dithioacetals compounds may be helpful for further studying SAR and designing more potent antimicrobials.

Single crystalline Mn₃O₄ nanowires have been synthesized with tetragonal hausmannite structure using a solvothermal method. The structural and morphological evolution of Mn₃O₄ nanowires have been characterized using powder X-ray diffraction, transmission electron microscopy, and electron resonance spectroscopy. The nanowires were grown uniformly along the (200) direction with a diameter of 5–10 nm range. A relatively broad and intense electron spin resonance (ESR) signal was observed at room temperature, with the g ≈ 2.0. As the synthesis temperature increases from 150 to 250 °C, a decrease in ESR signal intensity and line widths were observed. Mn₃O₄ displayed a positive Curie-Weiss temperature, θ, which decreases with the increase of synthesis temperature.

Nickel based bimetallic nanocrystals, iridium-nickel play an imperative role in catalysis, electrocatalysis, and magnetic applications. In the present work Ir-Ni bimetallic nanoalloys were synthesized by modified polyol reduction method with different cationic, anionic, and non-ionic surface active agents like CTAB, SDS, TSC, and PVP. The non-ionic surface active agent PVP produced a better effect on nanoparticle size than cationic and anionic surfactants. The synthesized bimetallic nanocrystals were characterized by UV-Vis, XRD, FTIR, FESEM, and HRTEM techniques. XRD and FTIR verify the nature of synthesized bimetallic nanocrystals and the interaction between stabilizers and nanoparticles. HRTEM studies reveal that the PVP stabilized Ir-Ni (3:1) and Ir-Ni (1:1) bimetallic nanocrystals are small in size and less dispersed. Particle size range of these nanoparticles is from (1.77-2.36) nm. FESEM images show that nanoparticles are in quasi spherical shape. EDX analysis indicates that the resultant particles are core shell structure with Ni core and Ir shell.

Different metal catalysts have been tested for the one-pot transformation of carbonyl compounds, amines and phosphites to α-aminophosphonates. The influence of catalyst type, amount, solvent and the substrate electronic factor have been investigated. The results revealed that the carbonyl compounds could be smoothly converted into α-aminophosphonates at room temperature in good to excellent yields, with or without solvent in a reasonable reaction time. These results suggested that among others, lithium perchlorate and metal triflates were proven to be effective catalysts in 10 moles % catalysts. Polar aprotic solvents proved to be the best for the synthesis of α-aminophosphonates. The synthesized compounds' structure characterizations were elucidated by different spectroscopic tools and showed results consistent with the expected structures.

Plant-mediated green synthesis of metallic nanoparticles (NPs) has become the most deserving alternative to chemical synthesis as this process is economical and energy-efficient, and environmentally benign. For the last twenty to thirty years, different plant sources are being utilized for the fabrication of green NPs, and few of them have used the extract of Phoenix Dactylifera L. as reducing, capping, or stabilizing agents. This review provides a detailed outline of the extraction method from various parts of dates and their synthesis with different metal salts using these extracts. The applied techniques of characterization and application of these nanoparticles have also been thoroughly discussed. The phytochemicals present in the extract were responsible for reducing the metals. Except for a few, all the investigations reported the spherical NPs but have variations in their size. These NPs have high prospects in applications such as antimicrobial, anticancer, antioxidant, and catalytic activities. This work may lead the path for additional advancement in this field, and researchers may take up the future work for the large scale production of NPs and their application using date extracts.