Synthesis and chacterization of graphene-based materials (GO, rGO, and MGO) by FT-IR, XRD, UV-VIS, SEM, and Raman spectroscopy, and their potential applications for wastewater treatment.

In the present work, the synthesis, characterization (FT-IR, multinuclear (¹H and ¹³C) NMR, AAS, Raman, and elemental analyses), DNA binding (cyclic voltammetry, UV-Vis spectroscopy), and in vitro biological screening of nine new ferrocene-incorporated thioureas (A1–A9) are reported. Furthermore, the single-crystal X-ray structure of compound A8 was also determined. The ferrocene-based N,N′-disubstituted thioureas were derived by allowing the ferrocenyl anilines to react with freshly prepared isothiocyanates under a N₂ atmosphere in dry acetone. The DNA binding studies performed by cyclic voltammetry and UV-Vis spectroscopy produced results that are in close agreement with one another for the binding constants (K) and an electrostatic mode of interaction was observed. The DFT/B3LYP method was used to determine the charge distribution and HOMO/LUMO energies of the optimized structure. The DFT calculated HOMO and LUMO energies correlate well with the experimentally determined redox potential values. The synthesized ferrocenyl thioureas exhibited good scavenging activity against the 1,1-diphenyl-2-picrylhydrazyl radical (DPPH). These complexes were also scanned for their in vitro cytotoxic activity against MCF-7 carcinoma cells, and also towards the non-cancerous cell line MCF-10A. The results showed modest cytotoxicity against the subjected cancer cell line compared with a standard chemotherapeutic drug (cisplatin). However, these ferrocenyl derivatives have fewer toxic effects in normal cells.

In our search for new therapeutic agents, ferrocene-based thioureas (M1–M9) were successively synthesized and characterized by various analytical techniques like FT-IR, Raman, CHNS, AAS, and multinuclear (¹H and ¹³C) NMR. The interaction of the compounds with DNA was investigated by electrochemical and spectroscopic measurements. These complexes exhibited impressive binding constants ranging from 9.75 × 10³ to 5.71 × 10⁴ M⁻¹. The diffusion coefficients of the drug–DNA adducts are lower than that of the free drug indicating the formation of a high molecular weight complex that diffuses slowly towards the electrode. The cathodic peak potential shift in the cyclic voltammetric behavior of the synthesized complexes by the addition of DNA is attributable to the electrostatic interactions between the compound and DNA, an indicator of the oxidizable behavior of the compounds in the presence of the negative environment of DNA. The energies of the frontier molecular orbitals (E_HOMO and E_LUMO) and the Mulliken charge distribution on the optimized structures were determined using the DFT/B3LYP method combined with the 6-31G(d,p) basis set in DMSO. The theoretically calculated HOMO and LUMO energies (HOMO–LUMO band gap) based on the DFT study correlate well with the electrochemically determined redox potentials (electrochemical band gap), having a correlation coefficient of 0.953. The synthesized thioureas were preliminarily screened for their in vitro antimicrobial and cytotoxic activities. However, the most significant antitumor activity was found for M3 with an IC₅₀ value of 1.87 μM. These compounds played a significant role in arresting microbial growth. The computational measurements were found to be in close agreement with the outcomes of biological activities.

This review provides comprehensive data on the recent advances in various preparative methods of carbamides/thiocarbamides possessing oxygen/sulfur donor sites and their biological relevance. This review summarizes the numerous protocols for synthesizing carbamides/thiocarbamides from isocyanides, amidines, or amines, carbamates, alkyl halides are described, and also their green synthesis thus considerably expanding the scope of carbamides/thiocarbamides chemistry. Due to its tunable physicochemical and structural features, carbamide/thiocarbamide-based scaffolds are widely used in medicinal chemistry. Nowadays, protein kinase inhibitors are the topic of interest for several drug development initiatives in the pharmaceutical industry, because genetic changes such as mutations, overexpression, translocations, and dysregulation are all involved in the pathogenesis of many disorders. In this review, the compounds comprising carbamide/thiocarbamide pharmacophore have significant efficacy in comparison with the typical antibiotics against many bacterial strains which cause nosocomial infections and have acquired resistance to numerous medicines in the treatment of bacterial infections as well as a variety of ageing-related health issues such as cancer, antioxidants to inhibit uncontrolled growth of cells in the biological system, antifungal agents to inhibit the fungus growth, and neurological dysfunction have been described. GRAPHICAL ABSTRACT

Three new ferrocene-substituted aliphatic guanidines were successfully synthesized and well characterized by means of several analytical methods such as FT-IR, ¹H and ¹³C-NMR, Raman, atomic absorption spectroscopy (AAS), and elemental analysis. The amphiphilic nature of ferrocene-based guanidines has been evaluated by determining their critical micelle concentration (CMC) through tensiometry, and UV-visible spectroscopy. The results obtained through both the techniques are in good agreement with each other. It was observed that the alkyl chain length played a major part in determining the CMC in pure ethanol as well as in an ethanol/water mixture. The quantum mechanical parameters such as the energy of frontier molecular orbitals (E_HOMO and E_LUMO) and the Mulliken charge distribution on the optimized structures was determined using a DFT/B3LYP method combined with the 6-31G(d,p) basis set in the gas phase. The shift in the peak potential, current and absorption maxima of the studied ferrocenyl guanidines in the presence of DNA revealed that cyclic voltammetry coupled with UV-visible spectroscopy provided a way to elaborate the DNA interaction mechanism, a pre-requisite for the design of new anticancer agents and understanding of the molecular basis of their action. The synthesized ferrocenyl derivatives exhibited good scavenging activity against the 1,1-diphenyl-2-picrylhydrazyl radical (DPPH). These complexes were also scanned for their in vitro cytotoxicity against the human carcinoma cell line (MCF-7) and a normal cell line (MCF-10A) by means of an MTT assay, thereby rendering G-18 as the most potent chemotherapeutic drug.