Journal of Chemical Sciences最新文献

The pharmacological potential of six newly synthesized organotin(IV) carboxylates is reported. For the synthesis of complexes, R₃SnCl/R₂SnCl₂ were reacted with sodium carboxylate salt NaL in dry chloroform {R = n-C₄H₉ (1, 4), CH₃ (2, 5), C₆H₅ (3, 6) and L = 2,4-dichlorophenylacetate}. Microanalysis has validated the expected elemental composition of the complexes. FT-IR spectra suggested chelating/bridging bidentate coordination of the ligand in the complexes. A distorted trigonal-bipyramidal geometry around the Sn-atom was confirmed by single-crystal analysis in complex 1. The ¹H and ¹³C NMR spectra have shown signals in the expected regions. In vitro studies have shown excellent biological potential of the complexes 1–6 than the ligand acid HL, with few exceptions. Among complexes, 1, 3 and 4 have shown promising anticancer potential against the U-87 cell line. Complex 5 was the most efficient COX-2, AChE and BChE inhibitor. Similarly, 1 has shown relatively lower IC₅₀ values against α-glucosidase and α-amylase. All complexes, except 1, were more active scavengers of DPPH as compared to ABTS radicals. The antileishmanial potential of 1 was higher than the standard, Amphotericin B. Complex 1 has also shown better activity against P. aeruginosa and C. albicans as compared to the standard.

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Six organotin(IV) derivatives of 2,4-dichlorophenylacetic acid are synthesized. Composition and structural analyses of the complexes were made by elemental analysis, FT-IR, NMR and single crystal XRD analysis. In vitro anticancer, enzyme inhibition, antioxidant, antileishmanial and antimicrobial potential of the synthesized complexes was evaluated.

A simple protocol is reported for the hydrogenation of nitroaromatics to aniline derivatives using a silica-supported Schiff base copper complex with a magnetite core (Fe₃O₄@SiO₂-Schiff base-Cu(II)) as a heterogeneous solid catalyst and sodium borohydride as the reducing agent. The nanostructured magnetic catalyst was comprehensively characterized using Fourier transform infrared spectroscopy (FT-IR), powder X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive X-ray spectroscopy (EDS), confirming the successful formation of the catalyst with well-dispersed copper complexes. The Fe₃O₄@SiO₂-Schiff base-Cu(II) catalyst achieved quantitative reduction of nitrobenzene with 95% aniline selectivity. Furthermore, the catalyst demonstrated broad applicability by converting various nitroaromatic compounds to their corresponding aniline derivatives. The magnetic properties of the nanocatalyst enabled facile separation from the reaction mixture using an external magnetic field, allowing for five consecutive reuse cycles without significant loss of catalytic activity.

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In spite of the large amounts of data available in the literature regarding different types of properties of carbon nanotubes, a generalized parameter to correlate with the properties of the nanotubes is still an open issue. We identified a simple concept of local curvature playing a discerning role in governing the electronic property as well as the reactivity of the nanotubes. The interesting differences in the electronic properties of graphene and various single-walled carbon nanotubes (SWCNTs) at their simplest structural basis are addressed by envisaging model systems that are representative of a single unit of these nanostructures. Accordingly, we demonstrate that several electronic properties like ionization potential, electron affinity, HOMO-LUMO gap, and polarizability correlate very well with the variation of curvature present inside a single unit of a six-membered carbon ring. More interestingly, our results show that the qualitative trend obtained for the calculated electronic properties of model systems as a function of the curvature is very much similar to that of the real nanotubes. In addition to the electronic properties of the nanotube, we have also made an attempt to correlate the curvature of the systems with the reactivity of the nanotubes, by investigating the interaction of simple atomic species with real nanotubes and model systems. Curvature is shown to induce or alter different types of interaction, ranging from weak to strong interaction, and the magnitude of curvature present in the carbon nanomaterials can give valuable information regarding the nature of reactivity of the nanosurface. Thus, the concept of local curvature, derived from the structural parameters of the individual carbon rings, can be mentioned as one of the foremost important parameters for tuning the electronic properties and reactivity of the carbon nanomaterials efficiently. While this concept seems to correlate, in general, with several properties of the nanotubes, it can be applicable for other types of carbon-based nanomaterials with structural deformation, including the nanohorns, fullerenes, etc.

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Peptide self-assembly continuously manifests the transcendence of supramolecular chemistry into bioinspired functional materials. In a pioneering discovery, researchers unveil how a tripeptide, YYY (Y = tyrosine), with water as co-architect, self-assembles into a transparent, rigid, amorphous ‘peptide glass’. The glass thus obtained offers optical clarity, strong adhesion, humidity-responsive flexibility, and rapid self-healing through reversible hydrogen bonding. This discovery blurs the boundary between the living and the synthetic, exemplifying the formation of glass-like materials grown in water, rather than forged in fire, utilizing elementary biomolecules, heralding to a future of self-healing, recyclable and sustainable designs.

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A minimal tripeptide, YYY, forms a transparent, rigid, amorphous peptide glass. This bioinspired condensed-phase material exhibits optical clarity, strong adhesion, humidity-responsive flexibility, and rapid self-healing driven by reversible hydrogen bonding, demonstrating how simple biomolecules can form glass-like materials in water and redefine sustainable, recyclable soft matter.

Actinide elements pose a two-fold risk once they enter the human body. On the one hand, the major risk is due to their nuclear radiation, and on the other hand, it is a consequence of their heavy metal toxicity. Irrespective of the intake pathway, i.e., inhalation, ingestion, or cutaneous absorption, actinides are resorbed and transported by the bloodstream prior to deposition in target organs or tissues. The actinides exhibit long biological lifetimes of 20–50 years and are excreted at slower rates. They link with different biological ligands (proteins, free amino acids, etc.) and mimic natural biological elements (iron, calcium etc.), although the phenomenon remains largely unexplored in the research community. Actinide interaction and transport within the body are important to study for a better understanding of the mechanisms controlling their specific target deposition and the toxic effects. The present report reviews the major studies carried out in the field of actinide interaction and speciation with biomolecules. It summarizes the actinide behaviour within biological fluids and with serum proteins viz. human serum albumin and serum transferrin. The report also gives a brief description of various tools and techniques used for studying actinide interaction with biomolecules, with special emphasis on computational tools.

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This review highlights interactions of actinides with biomolecules in body fluids. Computational tools, namely, MD, QM/MM, enhanced sampling methods, and DFT provide atomic-level insights into binding, speciation, and conformational changes of serum protein. Integrating simulations with experiments advances the understanding of actinide biochemistry and guides design of effective decorporation strategies.

This study explores the adsorptive removal of Ni (II) ions using laboratory–synthesized graphene oxide (GO), thoroughly characterizing the adsorbent before and after adsorption. The impact of key operational variables, including initial Ni (II) concentration, solution pH, adsorbent dosage, contact time, and temperature, is systematically analysed. Experimental data indicate that the pseudo-second-order kinetic model (R² > 0.99) and the Langmuir isotherm model (R² > 0.98) best describe the adsorption process, with GO achieving a maximum adsorption capacity of 32.95 mg/g at pH 6.5 and 318 K. Further mathematical analysis determines the effective diffusivity (5 × 10^–16 m²/s) and external mass transfer coefficient (8.583 × 10^–11 m/s) for an initial Ni (II) concentration of 50 mg/L. Fourier transform infrared spectroscopy (FTIR) and NaNO₃ interference studies highlight the role of electrostatic interactions, with C=O and O–H functional groups serving as active adsorption sites. Thermodynamic analysis confirms that the adsorption process is endothermic (ΔH = 14.88 kJ/mol) and spontaneous (ΔG = –3.88 kJ/mol at 318 K). Moreover, density functional theory (DFT) calculations justify that Ni (II) ions preferentially bind to oxygen-containing functional groups on GO. Reusability studies reveal a 22.89% decrease in adsorption capacity after five successive adsorption–desorption cycles, underscoring the material’s potential for practical wastewater treatment applications.

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Synopsis Being synthesized using Tours’ method, Graphene oxide (GO) is used as an adsorbent for the removal of Ni (II) from aqueous solutions. Oxygenated functional groups on the GO surface are primarily responsible for Ni (II) adsorption.