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Metal complex formation of a Schiff base ligand with Zn(ii), Co(ii), Cr(iii), and VO(iv). α-Amylase and α-glucosidase inhibition by these metal complexes.

The asymmetric unit of the title compound, [Tm2(C7H6NO2)6(H2O)4]·2H2O, contains three 4-aminobenzoate (4ABA) ligands, two coordinated water molecules, a thulium metal ion, and a water molecule of crystallization. The overall structure of the complex (4ABA-Tm) is in the form of a dimer. In the dinuclear thulium complex, symmetry-relevant TmO8 coordination polyhedra are formed by the O atoms of two chelating 4-aminobenzoate ligands, the O atoms of two non-chelating 4-aminobenzoate ligands, and two water molecules. The Tm—O bond lengths range from 2.216 (3) to 2.471 (3) Å with the Tm...Tm separation in the dinuclear complex being 4.7863 (5) Å. The crystal structure features O—H...N, N—H...O, and O—H...O hydrogen-bonding interactions. Further stabilization of the crystal packing is due to C—H...π and off-set π–π stacking interactions. Hirshfeld surface analysis indicates that H...H contacts are the most significant contributors to the crystal packing (45.9%). In addition, a void analysis was performed to check the strength of the crystal packing.

Current studies were made to investigate the phytochemical, nutritional and medicinal importance of the mint plant. Mint plantgenerally contains menthol (40.7%), menthone (23.4%), methylacetate (0.7-23%), eucalyptol (1-13%), carveol (0.31%), piperitone (3.20%) and fiber (1.75%±0.1). The important nutritional contents include iron (0.262%), calcium (0.158%), phytic acid (0.00092%), proteins (0.6%), vitamin E (9.89±0.15%), ascorbic acid (0.96±0.06%) and axerophthol (0.426±0.05%). Mint is one of most familiar plants that iswidely cultivated throughout the planet. The plant finds immense importance in the pharmaceutical and food industry. The plant also finds colossal applicationsas antimicrobial,n anti-oxidant, anti-bacterial and anti-inflammatory agent. The promising capability of the plant towards the field of therapeutic drugs development has been widely investigated.

The title compound, C10H10FNO3, also known as [4-((4-fluorophenyl)amino)-4-oxobutanoic acid] (BFAOB), is synthesized efficiently, and its structure is confirmed by the SC-XRD technique, which indicates that two crystallographically different molecules are present in the asymmetric unit. The fluorobenzene ring is oriented at a dihedral angle of 76.09 (9)° and 23.7 (2)° with respect to acetamide moiety in the first and second types of molecule, respectively. A molecular overlay plot is employed to explore the difference between two types of molecules. Strong hydrogen bonding of type N–H…O, O–H…O and comparatively weak hydrogen bonding of type C-H…O stabilize the crystal packing. The titled compound is also characterized by powder XRD. Hirshfeld surface inspection is carried out to explore the non-covalent interactions that are responsible for crystal packing. DFT calculations demonstrate the high stability of BFAOB crystal compound.

A dioxovanadium complex has been successfully prepared by the reaction of an ONO-donor Schiff base, derived by condensing aminobenzohydrazide and 3-ethoxysalicylaldehyde, with VO2(acac)2. The structures of synthesized products were explored spectroscopically through FT-IR, 1H & 13C NMR, and by elemental composition (CHN) through combustion analysis. The catalytic potential of the complex was explored for the synthesis of substituted quinolines by adapting the Friedländer method. In this method, a cyclocondensation reaction of ortho aminoaryl aldehydes or ketones was carried out with another ketone having an alpha methylene group under solvent-free conditions. The main advantages of the present catalytic work are less time required for the completion of the reaction, high percentage yield, and easy work out procedure.

A dioxomolybdenum(VI) complex has been successfully prepared by the reaction of an ONO donor Schiff base, derived by condensing 3-methoxysalicylaldehyde and 4-amino-2-hydroxybenzohydrazide, with Mo...

Chemosensors are molecular devices which react with target and give a visible signal, which is a degree of its sensitivity. Herein, a novel coumarin based Schiff Base has been synthesized for F

A titanium(IV) Schiff base complex, [Ti(L)2]��H2O, was synthesized by treating TiO(acac)2 with an ONO-donor Schiff base ligand (H2L) derived from the condensation of 4-aminobenzohydrazide and 3-methoxysalicylaldehyde. The synthesized ligand and its respective complex were characterized by various spectroscopic techniques like FT-IR, 1H NMR, 13C NMR and elemental analysis (CHN). A single-crystal X-ray diffraction (SC-XRD) analysis was also accomplished to ensure the molecular structure of the complex. The geometry around the central metal ion in [Ti(L)2]��H2O was distorted octahedral as revealed by the data collected from diffraction studies. Hirshfeld surface analysis showed that H���H interatomic contact is the most significant contributor to the crystal packing of the complex. Moreover, theoretical calculations of the Schiff base complex were carried out by DFT at the B3LYP/Def2-TZVP level of theory, which showed a good correlation with the experimental findings.

A novel Schiff base compound named as phenylmethanaminium (E)-4-((benzylimino)methyl)benzoate C7H10N+. C15H12NO2- (A) is synthesized by the chemical reaction of benzylamine and 4-carboxybenzaldehyde in ethanol, and the structure of the titled compound is verified using the single-crystal X-ray diffraction technique. Structural investigation inferred that the crystal packing is mainly stabilized by N-H···O and comparatively weak C-H···O bonding between the cation and anion and further stabilized by weak C-H···π and C-O···π interactions. Hirshfeld surface analysis is employed to explore the noncovalent interactions that are responsible for crystal packing quantitatively. Furthermore, we have used state-of-the-art quantum chemical calculations to get comprehensive insights into the structure-optoelectronic property relationship for the entitled compound. The molecular geometry of compound A is optimized at the M06/6-311G* level of theory. The linear polarizability, third-order nonlinear optical (NLO) polarizability, total and partial density of states, and UV-visible spectrum are calculated through quantum chemical calculations. We believe that compound A is not only a new addition to crystallographic data but also possesses good optical and NLO properties for its potential use in lasers and frequency-converting applications.

A new ONO-tridentate Schiff base ligand (H2L) derived from 3-methoxysalicylaldehyde and nicotinic hydrazide was synthesized and characterized by elemental analysis, FT-IR, 1H NMR, 13C NMR, UV–Vis, and powder XRD studies. Then, oxovanadium(V) and dioxomolybdenum(VI) Schiff base complexes, VOL and MoO2L, were also prepared and characterized by different techniques. Moreover, the catalytic activities of both complexes were investigated for the synthesis of benzimidazoles, benzoxazoles, and benzothiazoles under reflux conditions as well as through ultrasonic irradiation. The results revealed several advantages of this procedure, including high product yields, short reaction times, facile work-up procedure, simplicity in operation, eco-friendly reaction conditions, and green aspects by avoiding toxic catalysts and solvents.

Ethyl 4-(4-fluorophenylamino)-2,6-bis(4-(trifluoromethyl)phenyl)-1-(4-fluoro-phenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate (

New oxovanadium and dioxomolybdenum Schiff base complexes, [VO(L)(OCH3)]n and [MoO2(L)(CH3OH)], were synthesized by treating an ONO donor Schiff base (H2L) derived by condensation of 3-ethoxysalicy...

The copper-doped silver and nickel oxide nanoparticles were prepared by the co-precipitation method in which the silver oxide (Ag2O) and nickel oxide (NiO) nanoparticles are doped with copper in 4:1 in the presence of sodium dodecyl sulfate (SDS), a surfactant. Then various analytical studies were carried out by using X-ray diffraction (XRD) and Diffuse reflectance spectroscopy (DRS). The XRD analysis revealed the crystalline structure and the size of nanoparticles was determined by using Scherrer’s formula. The XRD data showed the effect of doping on crystallinity and size. It was found that the size of nanoparticles was reduced without any change in crystallinity after doping. DRS results showed that when silver oxide and nickel oxide nanoparticles were doped with copper oxide nanoparticles, the energy band gap was shifted to a lesser value, i.e., from 1.50 to 1.17 eV for Ag2O and from 2.29 to 2.08 eV for NiO, respectively. The photocatalytic degradation of methylene blue (MB) and eriochrome black-T (EBT) by nanoparticles was monitored by UV-Vis spectroscopy. The antimicrobial activity of the synthesized nanoparticles was checked by using well diffusion assay and it was found that doped nanoparticles were more active than the undoped ones.

Novel transition metal complexes of nickel(II), copper(II) and zinc(II) with a symmetrical tetradentate Schiff base, obtained by condensation of 1,3-diaminopropane and 3,5-diiodosalicylaldehyde, N,N′-bis(3,5-diiodosalicylaldehyde)-1,3-diaminoporpane (H2L), have been prepared and characterized by elemental (CHN), FT-IR, UV–Vis and 1H NMR spectroscopic techniques. Out of these, copper (Cu(L)) and zinc (Zn(L)) complexes were isolated in the form of single crystals and characterized by single-crystal X-ray diffraction studies. In the Cu(L) complex, the geometry was found to be slightly distorted square planar, whereas the Zn(L) complex adapted slightly distorted octahedral geometry due to the attachment of two pyridine rings. The antibacterial screening of the prepared compounds was carried out by taking two Gram-positive (Staphylococcus aureus and Bacillus cereus) and two Gram-negative (Escherichia coli and Pseudomonas aeruginosa) bacterial strains. The appearance of zones of inhibition clearly depicted that the complexes have more retardation potential as compared to the Schiff base ligand.

A series of novel azomethine precursors were synthesized by the condensation reactions of 3-(trifluoromethyl)benzenamine (tfmb) with 2-hydroxybenzaldehyde (HL1) (tfmbs), 2,3-dihydroxybenzaldehyde (HL2) (tfmbdh), 2-hydroxy-1-naphthaldehyde (HL3) (tfmbnd) and 5-chloro-2-hydroxybenzaldehyde (HL4) (tfmbCl). The oxidovanadium(IV) complexes of the type [VO(tfmbs)2] (1), [VO(tfmbdh)2] (2), [VO(tfmbnd)2] (3) and [VO(tfmbCl)2] (4) were also prepared by the reaction of ligands HL1–HL4 with vanadyl(V) isopropoxide [VO(OCHMe2)3]. The synthesized compounds were characterized by elemental analysis, FT-IR, multinuclear (1H and 13C) NMR spectroscopies, magnetic susceptibility measurements and thermogravimetry. The studies revealed that binding of precursors with metal took place through azomethine nitrogen and phenolic oxygen. The single-crystal analysis of HL1, HL4 and 3 has been carried out. The intercalation mode of interaction of the complexes with Salmon sperm DNA (SS-DNA) was established by the observed hypochromicity through UV–vis spectroscopic studies. The determined negative ΔG values confirmed the spontaneity of the binding process of complexes with SS-DNA. All the synthesized precursors and complexes were screened for their alkaline phosphatase inhibition, antimicrobial, hemolytic and insulin-mimetic properties, which exhibited significant activities with a few exceptions.

In the present study, mononuclear metal complexes with zinc(II), copper(II) and vanadium(IV) have been synthesized by using indole-3-acetic acid (IAA) as primary ligand and 2,2'-bipyridine (bpy) and 8-hydroxy quinolone (8Hq) as secondary ligands. These synthesized complexes have been analyzed by various spectroscopic techniques like FT-IR, 1H-NMR, UV-Visible and by conductometry. The FT-IR spectroscopy revealed that nitrogen atom of ligand does not coordinate with metal ions. The vibrational frequency of NH was not shifted to a considerable extent in complexes as compared to the free ligand (IAA). As a result, the indole-3-acetic acid works as simple carboxylic acid ligands even in the synthesis of chelate complexes. The outcomes of 1HNMR show that the peak for carboxylic proton in IAA at 12.19 ppm vanishes on complexation, which suggests the replacement of the carboxylic proton by the metal moiety. The molar conductivity values of the synthesized compounds revealed the nonelectrolytic and non-conductive nature. Antibacterial screening was performed by thewell diffusion method against Gram-negative (Klebsiella pneumoniae, Escherichia coli and Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus) bacteria. All complexes exhibited higher antimicrobial potential than the standard reference drug, Ampicillin. It was confirmed by inhibition zones that metal complexes are efficient antibiotic agents.

Current studies were performed to evaluate the phytochemical, nutritional and pharmacological importance of Zingiber officinale (ginger). Z.officinale contains γ-cadinene (2.13%), α-curcumen (8.11%), α-fernesene (8.22%), 2, 6, 10-dodecatrien-1-ol (8.29%), β-seiquphellandrene (11.80%), α-gingiberene (15.32%). Ginger is cultivated worldwide due to its general usage as a spice in food. It is rich in nutritional contents especially carbohydrates, crude protein, lipid, crude fat 5.03±0.43 and crude fiber so it plays a good role in human health. It also contains trace amounts of minerals such as 0.20±0.01 mg/100 mercury, 0.070±0.02 mg/100 nickel, 0.50±0.01 mg/100 lead, 3.70±0.08 mg/100 cadmium, 15.50±0.09 mg/100 chromium, 28.20±0.11 mg/100 manganese, 21.60±0.12 mg/100 zinc, 25.10±0.13 mg/100 copper, 26.60±0.11 mg/100 iron, 31.20±0.15mg/100 sodium and 47.60±0.17 mg/100 calcium. Z. officinale also finds numerous medicinal applications and is used as anti-viral, anti-oxidant, antibacterial, anti-anthelmintic and anti-diabetic agent.

In the current work, a symmetrical tetradentate Schiff base ligand (H2L) derived by the condensation of methoxy-salicylaldehyde with substituted phenylenediamine is used to prepare nickel (II) and palladium (II) complexes. The chemical structures of the synthesized compounds were investigated with the help of combustion analysis and spectrophotometrically using FT-IR and 1H NMR. H2L and its nickel (II) complex were obtained in pure crystalline form, and hence, these compounds were characterized by diffraction analysis. It was evident from single-crystal X-ray diffraction analysis (SC-XRD) that the ligand was doubly deprotonated (L−2) and coordinated with the Ni(II) ion via ONNO-donor sites, and a distorted square planar geometry was achieved. Interestingly, the complex also attaches a solvent molecule (DMF) through its electronegative O atom with the H atom of DMF through hydrogen bonding. The molecular structure of the synthesized compounds was further validated with the help of density functional theory (DFT) using the B3LYP/Def2-TZVP level of theory. Furthermore, the Pd(II) complex was tested for Suzuki–Miyaura cross-coupling reactions and the results showed better catalytic activity in mild conditions concerning the traditionally available catalysts.

Correction for ‘Synthesis of an amantadine-based novel Schiff base and its transition metal complexes as potential ALP, α-amylase, and α-glucosidase inhibitors’ by Aliya Ajaz et al., RSC Adv., 2023, 13, 2756–2767, https://doi.org/10.1039/D2RA07051K.

The asymmetric unit of the title compound, [Tm

In the current research work, unsymmetrical acyl thiourea derivatives, 4-((3-benzoylthioureido)methyl)cyclohexane-1-carboxylic acid (BTCC) and methyl 2-(3-benzoylthioureido)benzoate (MBTB), have been synthesized efficiently. The structures of these crystalline thioureas were unambiguously confirmed by single-crystal diffractional analysis. The crystallographic investigation showed that the molecular configuration of both compounds is stabilized by intramolecular N-H···O bonding. The crystal packing of BTCC is stabilized by strong N-H···O bonding and comparatively weak O-H···S, C-H···O, C-H···π, and C-O···π interactions, whereas strong N-H···O bonding and comparatively weak C-H···O, C-H···S, and C-H···π interactions are responsible for the crystal packing of MBTB. The noncovalent interactions that are responsible for the crystal packing are explored by the Hirshfeld surface analysis for both compounds. The void analysis is performed to find the quantitative strength of crystal packing in both compounds. Additionally, state-of-the-art applied quantum chemical techniques are used to further explore the structure-property relationship in the above-entitled molecules. The optimization of molecular geometries showed a reasonably good correlation with their respective experimental structures. Third-order nonlinear optical (NLO) polarizability calculations were performed to see the advanced functional application of entitled compounds as efficient NLO materials. The average static γ amplitudes are found to be 27.30 × 10-36 and 102.91 × 10-36 esu for the compounds BTCC and MBTB, respectively. The γ amplitude of MBTB is calculated to be 3.77 times larger, which is probably due to better charge-transfer characteristics in MBTB. The quantum chemical analysis in the form of 3-D plots was also performed for their frontier molecular orbitals and molecular electrostatic potentials for understanding charge-transfer characteristics. We believe that the current investigation will not only report the new BTCC and MBTB compounds but also evoke the interest of the materials science community in their potential use in NLO applications.