European Journal of Chemistry
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From ancient Asian relics to contemporaneity: A review of historical and chemical aspects of Cannabis
Get PDFFrom the Himalayan mountains to the South American coast, Cannabis, a general term for plants of the genus Cannabis, with thousands of years of contact with humankind, shows its versatility as food tools such as hemp, religious and hedonistic input, and other purposes through the millennia, according to the populations in question. In this paper, a review of the context of the use of Cannabis and its place in world history is presented, from ancient Mesopotamian relics, traditional Chinese and Ayurvedic medicines, to the reasoning behind the isolation and structural elucidation of three phytocannabinoids and the spread of Cannabis throughout the world
Metal oxide nanofillers induced changes in material properties and related applications of polymer composites
Get PDFNanometal oxides have attracted considerable research interest because of the widespread applications in which nanomaterials can be synthesised in various oxide forms that can adopt various structural geometries with unique electronic band structures. Additionally, nanometal oxides provide unique features imputed to quantum confinement effects that stimulate changes in their optical, electrical, and optoelectronic behaviours. Meanwhile, introducing such nanometal oxides into host polymeric materials enables the formation of advanced polymeric nanocomposites with versatile properties. Even so, the utilisation of such nanocomposites in diverse potential applications requires a fundamental understanding of their inherent material functionalities. Therefore, this document aims to demonstrate the importance of polymer nanocomposites with a special focus on the impact of nanometal oxides to enhance the optical and electrical behaviours of polymer composites for advanced optoelectronic and energy storage applications
Hydrothermally synthesized (N,O)-linked Cu(II)-based coordination complex as a potential antibacterial agent
Get PDFThe N,O-linked Cu(II)-based coordination complex was synthesized hydrothermally and characterized by SC-XRD, FTIR spectroscopy, and FE-SEM. Single crystal X-ray diffraction studies showed that the complex crystallizes in a square pyramidal geometry and belongs to the monoclinic crystal system with the space group P21/n. Crystal data for C14H13CuN3O6: a = 8.7355(11) Å, b = 17.646(2) Å, c = 9.8036(12) Å, β = 98.506(6)°, V = 1494.6(3) Å3, Z = 4, μ(MoKα) = 1.500 mm-1, Dcalc = 1.701 g/cm3, 5120 reflections measured (4.616° ≤ 2Θ ≤ 49.982°), 1953 unique (Rint = 0.0316, Rsigma = 0.0718) which were used in all calculations. The final R1 was 0.0380 (I > 2σ(I)) and wR2 was 0.0972 (all data). The experimental antibacterial activity studies performed using the disc diffusion method revealed that the complex is indeed acting as a good antibacterial agent against Staphylococcus aureus and Escherichia coli. A better understanding of the binding mechanisms was uncovered through comparative molecular docking investigations. The docking score for the target S. aureus glyrase complex with DNA (PDB id-2XCS) was found to be -7.1 kcal/mol, while the docking score for dialkylglycine decarboxylase (PDB id-1D7U) was -5.2 kcal/mol. The high docking score of the complex with the target protein allowed the complex to act as a potential antibacterial agent. These results were also supported by other theoretical studies such as DFT calculations and pharmacokinetic studies. The correlation between the HOMO-LUMO energy gap and antibacterial activity was studied computationally. Hirshfeld surface analysis and pharmacokinetic studies were also performed for this crystal for a better understanding of the intermolecular interactions and ADME properties
Comparative chemical composition and pesticidal evaluation of Acorus calamus accessions collected from different geographical locations
Get PDFThe objectives of the present study were to investigate the phytochemical composition of essential oils (EO) from rhizomes of Acorus calamus collected from Jorhat, Assam; Munsyari and Pantnagar, Uttarakhand, India. EOs were studied for different pesticidal activities viz; nematicidal, insecticidal, and herbicidal activity. To study the synergistic effect of EOs on pesticidal activity, four combinations of EOs were prepared. Phenylpropanoids with β-asarone as the main compound were identified in all collections with varying percentages. Its contribution was found to be 85.8% in Munsyari EOs followed by 74.3% in Pantnagar and 62.6% in Assam collections. All EOs exhibited dose-dependent in vitro nematicidal activity against Meloidogyne incognita in terms of immobility and inhibition of egg hatching. The activity was observed as maximum in the EO combination of all three collections (1:1:1) whereas minimum in the Assam collections. In insecticidal activity against Lipaphis erysimi and Selepa celtis, maximum mortality was observed in Munsyari collections. The oils were assessed for sprout inhibition activity in terms of seed germination inhibition, coleoptile growth of the shoot and root against Raphanus raphanistrum. Maximum seed germination inhibition, % shoot, and root growth inhibition were found in all collections EO combinations. To predict the possible mode of action and the structure-activity relationship between major compounds of EOs and biological activities, in silico molecular docking and ADME/Tox studies were performed. The docking results revealed the mode of action of proteins of insects, nematodes, and weeds and were found in support of in vitro experiments. The study may be helpful for the development of herbal-based pesticides after proper clinical trials
Orange to red emissive aldehyde substituted donor-π-acceptor phenothiazine derivatives: Optoelectronic, DFT and thermal studies
Get PDFA new class of probes was synthesized using a simple and efficient synthetic protocol. These compounds (PTZ-6(a-e)) have the phenothiazine (PTZ) moiety as the electron donor (D) and substituted aldehydes along with the acrylonitrile group, which acts as the electron acceptor (A), thus making D-π-A push-pull system. The structures of the newly synthesized series of small organic target molecules PTZ-6(a-e) were investigated and confirmed by spectros-copic techniques. The optical/solvatochromic properties were studied in detail by UV-vis absorption and fluorescence spectroscopy, because the molecules have shown good solubility in organic solvents. The density functional theory (DFT) model with the CAM-B3LYP function is utilized to study the photophysical properties of the probes, as these probes exhibited orange-to-red emission. Optical band gap values ranged from 2.32 to 2.50 eV, and these probes exhibited good thermal stability with a melting temperature of 136 to 198 °C and a T5d temperature range from 335 to 354 °C. The cyclic voltammetry study confirms that the Eoxonset values of the target compounds are 0.80 eV. The quantum yields (Φ) of the probes are measured experimentally in ethanol and the Stokes shifts are observed to be in the range of 4846-9430 cm-1. The results displayed that novel (D-A-D) chromophores could play an important role in organic optoelectronics
Spectroscopic study of solvent effects on the electronic absorption spectra of morpholine and its complexes
Get PDFThe electronic absorption spectra of morpholine and its five morpholine complexes have been studied in different solvents of various polarities. The regression and correlation coefficients have been calculated with the SPSS program. Solvation energy relationships were deduced from spectral shifts and correlated with solvent parameters α (solvent hydrogen bond donor acidity), β (solvent hydrogen bond acceptor basicity), and π* (dipolarity/polarizability). The percentage contributions of the calculated solvatochromic parameters show that classic solvation effects play a major role in explaining the spectral shifts in all investigated complexes. The blue shift of [Fe(MOR)3Cl3]·4H2O, [Ni(MOR)4Cl2]·4H2O, and [Cu(MOR)4Cl2]·6H2O complexes is due to the formation of hydrogen bonds, which suggests the stabilization of the ground electronic state compared with the excited state. [CuNi(MOR)2Cl4]·4H2O and [CuZn(MOR)3Cl4]·2H2O are mixed metal complexes that suffer a red shift due to the solute-solvent interactions, which causes stabilization of the excited solute state with increasing solvent polarity. The bands are affected by specific solute-solvent interactions including hydrogen bond donor ability (acidity) and hydrogen bond acceptor ability (basicity) and nonspecific solute-solvent interactions including electromagnetic interaction between the dipole moments of solute and polar solvents
Synthesis, physicochemical characterisation and DNA binding study of a novel azo Schiff base Ni(II) complex
Get PDFThe azo Schiff base ligand was synthesised, along with its Ni(II) complex, by diazotisation of salicylaldehyde with 4-nitroaniline in accordance with the accepted literature approach. Using a variety of spectroscopic techniques, the resulting complex is analysed both quantitatively and qualitatively (Elemental analysis, FT-IR spectroscopy, UV-VIS spectroscopy, 1H NMR, etc.). Spectral measurements of the complex revealed a mole ratio of 1:1. The non-electrolytic nature of the complex is confirmed by molar conductance investigation. The unique azo compound had a tetrahedral shape as a result of the tetra coordination of two phenolic oxygen and two imine nitrogen. The ability of the metal complexes to bind DNA was examined using absorption spectroscopy, fluorescence spectroscopy, viscosity tests, and thermal denaturation methods. Experimental research suggests that complexes bind to DNA through intercalation
