Cobalt(II) complexes of tri-dentate S,N,S-thiophenyl Schiff base ligand for prospective biological studies and ct-DNA interaction. Catalytic benzyl alcohol oxidative performance

IF 5.2 2区化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Liquids Pub Date : 2025-05-01 Epub Date: 2025-03-03 DOI:10.1016/j.molliq.2025.127269

Zakaria S. Bakhuraisa , Ahmed Khalil , Mustafa J. Abdelmageed Abualreish , Ahmed Desoky M. Mohamad , Mamdouh A. Mohamed , Mohamed Shaker S. Adam

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Abstract

The condensing reaction of thiophene-2-carbaldehyde with 2-aminobenzenethiol yielded S,N,S-thiophenyl Schiff base ligand (HLNS). In various molar ratios, the coordination behavior of HLNS towards cobalt(II) ions was studied within 1 and 2: 1 equivalents, resulting in the formation of two diverse structural complexes, [CoLNSCl(H₂O)₂] and [Co(LNS)₂], respectively. Their structural elucidation was achieved using various spectroscopic methods, which involved thermogravimetric assessments, elemental analysis, magnetic characteristics, and conductivity measurements.

The inhibitory influence of HLNS (as an unbonded ligand) and its cobalt(II)-chelating agents on the restrained proliferation of three particular microbes of bacterial and fungal strains, and three recognized cell lines of human cancer were assessed assigning the structural effect on the reactivity of [CoLNSCl(H₂O)₂] and [Co(LNS)₂] versus their free ligand (HLNS). The study sought to ascertain the predominant role of Co(II) ions in the two chelates on the binding strength of HLNS, [CoLNSCl(H₂O)₂], and [Co(LNS)₂] towards calf thymus DNA (ct-DNA), which was evaluated by examining the changes in their viscometric and spectrophotometric characteristics. The evaluation of binding constants (K_b), Gibbs free energy

Δ G_{b}^{\neq}

, and chromism modes was utilized to analyze the interaction modes of the current compounds with ct-DNA compared to that action of HLNS.

[CoLNSCl(H₂O)₂] and [Co(LNS)₂] represented high catalytic oxidative performance for benzyl alcohol with hydrogen peroxide homogeneously. At 80 °C, the yielding percentage of the selective-product (benzaldehyde) was 85 % after 4 h and 82 % after 5 h with [CoLNSCl(H₂O)₂] and [Co(LNS)₂], respectively. The variation in the optimal atmosphere for both catalysts referred to their molecular structure differences.

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三齿 S,N,S-噻吩希夫碱配体的钴(II)配合物，用于前瞻性生物研究和 ct-DNA 相互作用。催化苯甲醇氧化性能

噻吩-2-甲醛与2-氨基苯硫醇缩合反应生成S，N，S-噻吩希夫碱配体（HLNS）。在不同的摩尔比下，研究了HLNS对钴（II）离子在1和2:1当量下的配位行为，分别形成了[CoLNSCl(H2O)2]和[Co(LNS)2]两种不同结构的配合物。它们的结构解析是通过各种光谱方法实现的，包括热重评估、元素分析、磁特性和电导率测量。通过对[CoLNSCl(H2O)2]和[Co(LNS)2]对其自由配体（HLNS）的反应性的结构影响，评估了HLNS（作为无键配体）及其钴（II）螯合剂对细菌和真菌菌株的三种特定微生物以及三种已知的人类癌症细胞系的抑制增殖的抑制作用。本研究试图确定两种螯合剂中Co（II）离子对HLNS、[CoLNSCl(H2O)2]和[Co(LNS)2]对小牛胸腺DNA （ct-DNA）结合强度的主导作用，并通过检查其粘度和分光光度特性的变化来评估。利用结合常数（Kb）、Gibbs自由能ΔGb≠和显色模式的评价来分析当前化合物与ct-DNA的相互作用模式，并与HLNS的作用进行比较。[CoLNSCl(H2O)2]和[Co(LNS)2]均表现出较高的过氧化氢催化氧化苯甲醇的性能。在80℃条件下，[CoLNSCl(H2O)2]和[Co(LNS)2]反应4 h和5 h后，选择性产物苯甲醛的产率分别为85%和82%。两种催化剂的最佳气氛的变化与它们的分子结构不同有关。

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来源期刊

Journal of Molecular Liquids 化学-物理：原子、分子和化学物理

CiteScore

10.30

自引率

16.70%

发文量

2597

审稿时长

78 days

期刊介绍： The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.