小牛胸腺 DNA 与希夫碱配体单晶新型复合物相互作用的表征（XRD/TGA-DSC）和评估

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta Pub Date : 2024-11-09 DOI:10.1016/j.ica.2024.122443

Jeniffer Meyer Moreira , Raphael Rodrigues , Magno Aparecido Gonçalves Trindade , Karine Cáceres dos Santos , Monize Martins da Silva , Bárbara Tirloni , Cândida Alíssia Brandl , Guilherme Caneppele Paveglio , Daiane Roman , Cláudio Teodoro de Carvalho

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引用次数: 0

摘要

主要采用单晶 X 射线衍射仪 (XRD)、热重分析和差热分析 (TGA-DSC) 等综合方法研究了希夫碱配合物 [Zn(H2L)2Cl2] 2/3(CH3OH) 2/3(H2O) (1) 和 [Cd(H2L)2(NO3)2(CH3OH)2](2)（其中 H2L 为 N-Acylhydrazone 配体）。X 射线衍射分析表明，这两种络合物都通过配体吡啶环的氮原子配位。在络合物（1）中，锌（II）离子与两个配体和两个氯离子配位，形成一个扭曲的四面体几何结构。在络合物（2）中，镉（II）离子与两个配体、两个硝酸根离子和两个甲醇分子配位，形成八面体几何结构。晶体材料的高纯度和精确的化学计量对于准确的热分析至关重要。此外，还利用红外线（IR）、紫外可见光（UV-vis）、摩尔电导率、元素分析（EA）和核磁共振（NMR）光谱进行了表征。利用紫外可见光谱、粘度测量和溴化乙锭位移测定法对小牛胸腺 DNA（CT-DNA）进行的生物研究表明，复合物与 DNA 之间存在插层结合。结合常数（Kb）和淬灭常数（Ksv）（104 L/mol）表明，复合物与 CT-DNA 之间存在中等程度的相互作用。水和 1-辛醇中的分配系数值（log P）为正值，表明这些复合物明显偏爱类脂有机相，这意味着它们可以有效地穿透生物膜。

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Characterization (XRD/TGA-DSC) and assessment of calf thymus DNA interaction with single-crystalline novel complexes from Schiff base ligands

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Characterization (XRD/TGA-DSC) and assessment of calf thymus DNA interaction with single-crystalline novel complexes from Schiff base ligands

The Schiff base complexes [Zn(H₂L)₂Cl₂] ²/₃(CH₃OH) ²/₃(H₂O) (1) and [Cd(H₂L)₂(NO₃)₂(CH₃OH)₂] (2), where H₂L is an N-Acylhydrazone ligand, have been investigated mainly using a combinatory approach of single-crystal X-ray diffractometry (XRD), thermogravimetric and differential thermal analysis (TGA-DSC). XRD analysis revealed that both complexes coordinate through the nitrogen atom of the ligand’s pyridine ring. In complex (1), the zinc(II) ion coordinates with two ligands and two chloride ions, forming a distorted tetrahedral geometry. In complex (2), the cadmium(II) ion coordinates with two ligands, two nitrate ions, and two methanol molecules, resulting in an octahedral geometry. The crystalline material’s high purity and precise stoichiometry were crucial for accurate thermoanalytical analysis. Additionally, characterizations were performed using infrared (IR), ultraviolet–visible (UV–vis), molar conductivity, elemental analysis (EA) and nuclear magnetic resonance (NMR) spectroscopy. Biological studies with calf thymus DNA (CT-DNA), using UV–vis spectroscopy, viscosity measurements and ethidium bromide displacement assays indicated intercalative binding of the complexes with DNA. The binding (K_b) and quenching (K_sv) constants (10⁴ L/mol) suggest moderate interaction with CT-DNA. The positive partition coefficients (log P) values in water and 1-octanol suggest a significant preference for the lipid-like organic phase, implying that these complexes can efficiently penetrate biological membranes.

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来源期刊

Inorganica Chimica Acta 化学-无机化学与核化学

CiteScore

6.00

自引率

3.60%

发文量

440

审稿时长

35 days

期刊介绍： Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews. Topics covered include: • chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies; • synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs); • reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models; • applications of inorganic compounds, metallodrugs and molecule-based materials. Papers composed primarily of structural reports will typically not be considered for publication.