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
{"title":"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","authors":"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","doi":"10.1016/j.ica.2024.122443","DOIUrl":null,"url":null,"abstract":"<div><div>The Schiff base complexes [Zn(H<sub>2</sub>L)<sub>2</sub>Cl<sub>2</sub>] <sup>2</sup>/<sub>3</sub>(CH<sub>3</sub>OH) <sup>2</sup>/<sub>3</sub>(H<sub>2</sub>O) (<strong>1</strong>) and [Cd(H<sub>2</sub>L)<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>(CH<sub>3</sub>OH)<sub>2</sub>] (<strong>2</strong>), where H<sub>2</sub>L is an <em>N</em>-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 (<strong>1</strong>), the zinc(II) ion coordinates with two ligands and two chloride ions, forming a distorted tetrahedral geometry. In complex (<strong>2</strong>), 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<sub>b</sub>) and quenching (K<sub>sv</sub>) constants (10<sup>4</sup> 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.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122443"},"PeriodicalIF":2.7000,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Characterization (XRD/TGA-DSC) and assessment of calf thymus DNA interaction with single-crystalline novel complexes from Schiff base ligands\",\"authors\":\"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\",\"doi\":\"10.1016/j.ica.2024.122443\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The Schiff base complexes [Zn(H<sub>2</sub>L)<sub>2</sub>Cl<sub>2</sub>] <sup>2</sup>/<sub>3</sub>(CH<sub>3</sub>OH) <sup>2</sup>/<sub>3</sub>(H<sub>2</sub>O) (<strong>1</strong>) and [Cd(H<sub>2</sub>L)<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>(CH<sub>3</sub>OH)<sub>2</sub>] (<strong>2</strong>), where H<sub>2</sub>L is an <em>N</em>-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 (<strong>1</strong>), the zinc(II) ion coordinates with two ligands and two chloride ions, forming a distorted tetrahedral geometry. In complex (<strong>2</strong>), 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<sub>b</sub>) and quenching (K<sub>sv</sub>) constants (10<sup>4</sup> 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.</div></div>\",\"PeriodicalId\":13599,\"journal\":{\"name\":\"Inorganica Chimica Acta\",\"volume\":\"575 \",\"pages\":\"Article 122443\"},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2024-11-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganica Chimica Acta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0020169324005346\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganica Chimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0020169324005346","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
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 (Kb) and quenching (Ksv) 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.
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.
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