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Six organotin(IV) complexes (1–6) were synthesized, following the general formulas as R2Sn(L)Cl and R3Sn(L), have been reported. In these complexes, L represents a Schiff base prepared by the reaction of phenylhydrazine with 5‐bromo‐2‐hydroxybenzaldehyde, and R = Me, n‐Bu, Ph. Various analytical techniques were employed to characterize and determine the structure of the newly synthesized compounds. The techniques, including the elemental analysis, molar conductivity measurements, UV–visible, FT‐IR, NMR spectroscopy, and mass spectrometry. Spectroscopic analysis suggested that the ligand (4‐bromo‐2‐[(2‐phenylhydrazinylidene)meth‐yl]phenol) (HL) coordinates with the tin (Sn) metal through its phenolic oxygen (O) and azomethine nitrogen (N) atoms. Molar conductivity measurements indicated that all the synthesized compounds are nonelectrolytes. The percent CHN analysis data also corroborates the spectroscopic results. UV–Vis spectra revealed the mode of transitions of electrons due to the π–π* transitions, n–π* transitions, and transitions involving charge transfer from the ligand to the metal, which occurred in recently developed ligand and organotin (IV) complexes. The emergence of additional bands in the FT‐IR spectra of complexes (1–6), attributed to ν(Sn–O) and ν(Sn–N), which were absent in the precursor, offers further proof for the synthesis of these complexes. NMR spectral studies give information about the nature and number of all protons having the same or different chemical environment in the structure of all the compounds being reported in this study. The potential to be used as bioactive compounds in the future was assessed by performing the biological activities (antimicrobial and antioxidant) of these synthesized compounds and the DPPH free radical method for the antioxidant potential of these compounds. Based on these assessments, it can be concluded that the ligand's efficiency improves upon complexation, primarily due to the type and quantity of alkyl groups attached to the [Sn] metal atom. ADME and studies were conducted to forecast the biological effectiveness of the ligand and its metal complexes. Among these, the ligand and complexes 1 and 4 are prioritized for docking with Aspergillus flavus, Bacillus subtilis, and Escherichia coli. The complexes 1 and 4 were found biologically more effective towards different microbes. The Antioxidant activity of the test complexes follows this trend: Methyltin(IV) complexes exhibit the lowest activity, whereas butyltin(IV) and phenyl(IV) complexes exhibit higher levels of activity, with phenyltin(IV) showing the most significant activity.
Six organotin(IV) complexes (1–6) were synthesized, following the general formulas as R2Sn(L)Cl and R3Sn(L), have been reported. In these complexes, L represents a Schiff base prepared by the reaction of phenylhydrazine with 5‐bromo‐2‐hydroxybenzaldehyde, and R = Me, n‐Bu, Ph. Various analytical techniques were employed to characterize and determine the structure of the newly synthesized compounds. The techniques, including the elemental analysis, molar conductivity measurements, UV–visible, FT‐IR, NMR spectroscopy, and mass spectrometry. Spectroscopic analysis suggested that the ligand (4‐bromo‐2‐[(2‐phenylhydrazinylidene)meth‐yl]phenol) (HL) coordinates with the tin (Sn) metal through its phenolic oxygen (O) and azomethine nitrogen (N) atoms. Molar conductivity measurements indicated that all the synthesized compounds are nonelectrolytes. The percent CHN analysis data also corroborates the spectroscopic results. UV–Vis spectra revealed the mode of transitions of electrons due to the π–π* transitions, n–π* transitions, and transitions involving charge transfer from the ligand to the metal, which occurred in recently developed ligand and organotin (IV) complexes. The emergence of additional bands in the FT‐IR spectra of complexes (1–6), attributed to ν(Sn–O) and ν(Sn–N), which were absent in the precursor, offers further proof for the synthesis of these complexes. NMR spectral studies give information about the nature and number of all protons having the same or different chemical environment in the structure of all the compounds being reported in this study. The potential to be used as bioactive compounds in the future was assessed by performing the biological activities (antimicrobial and antioxidant) of these synthesized compounds and the DPPH free radical method for the antioxidant potential of these compounds. Based on these assessments, it can be concluded that the ligand's efficiency improves upon complexation, primarily due to the type and quantity of alkyl groups attached to the [Sn] metal atom. ADME and studies were conducted to forecast the biological effectiveness of the ligand and its metal complexes. Among these, the ligand and complexes 1 and 4 are prioritized for docking with Aspergillus flavus, Bacillus subtilis, and Escherichia coli. The complexes 1 and 4 were found biologically more effective towards different microbes. The Antioxidant activity of the test complexes follows this trend: Methyltin(IV) complexes exhibit the lowest activity, whereas butyltin(IV) and phenyl(IV) complexes exhibit higher levels of activity, with phenyltin(IV) showing the most significant activity.
The synthesis and structural analysis of complexes derived from (E)‐N′‐(3,5‐di‐tert‐butyl‐2‐hydroxybenzylidene) isonicotino hydrazide (ITB ligand) were examined using multiple analytical techniques. These techniques included TGA, decomposition point determination, elemental analysis (CHN), spectroscopic (IR, NMR, mass spectrometry) analysis, magnetic susceptibility, conductivity, as well UV–Vis spectrum analysis, along with theoretical studies. Molar conductance values indicated that the Cd (II), Co (II), Cu (II), Ni (II), and Zn (II) complexes are non‐electrolytes in fresh DMSO solutions, with conductance values ranging from 8.5 to 14.35 Ω−1 cm2 mol−1. IR spectra suggested which the ligand coordinates through the metal ions in a tridentate fashion, utilizing the (N & O) donor sites from the (CN & CO & CO) groups in the hydroxybenzylidene moiety. Analytical data from solution complexation, job's method suggested a 1:1 (metal:ligand) molar ratio. The stability order of the complexes was determined as ITBCo > ITBCu > ITBNi > ITBZn > ITBCd, consistent with the stability constant (Kf) values. The pH profile indicated that the studied complexes exhibit stability upon a wide pH scale, typically between (pH = 4:10). Magnetic and electronic spectral analyses helped deduce the ligand coordination abilities and the geometric structures of the complexes. In vitro (antimicrobial & anticancer) performances of the studied complexes were tested versus various (microbial strains & cancer cell lines), revealing higher activity in the chelates assessed to the free (ITB) ligand. The antioxidant potential was also assessed using the DPPH assay. Finally, molecular docking was performed toward estimate the binding efficiency between various protein receptors and the compounds, with results aligning with the biological investigations.
The synthesis and characterization of SBA‐Pr‐Ald‐MA as a modified mesoporous silica material made from SBA‐15 are presented in this work. Meldrum's acid (MA), 2‐chloroquinoline‐3‐carbaldehyde, and 3‐(chloropropyl)‐trimethoxysilane were used to functionalize the SBA‐15. The detection limit of 7.80 × 10−8 M for SBA‐Pr‐Ald‐MA demonstrated its exceptional selectivity toward Fe3+ ions. Density functional theory (DFT) calculations were conducted using B3LYP/6‐311g(d,p)/LANL2DZ to investigate the molecular electrostatic potential (MEP), geometry optimization, molecular orbital analysis, quantum chemical descriptors, and photoinduced electron transfer (PET). Geometry optimization and the MEP diagram verified the mechanism of the interaction obtained from experimental results. PET analysis indicated that the electrons transition to the LUMO of the Pr‐Ald‐MA + Fe3+ complex, leading to maximum fluorescence quenching efficiency. Future research could explore the sensor's application in real‐world environmental monitoring systems and extend its application to detect other hazardous metal ions.
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