The new coumarine derivate with methyl ester of 2-((
Z
)-1(2,4-dioxochroman-3-ylidene)ethylamino)-3-methylbutanoic acid and the corresponding palladium(II) complex are synthesized and characterized ...by microanalysis, infrared,
1
H and
13
C NMR spectroscopy. The proposed structure of the ligand was confirmed based on the X-ray structural study.
The dispersion law and spectral weights of charge carriers in surface perturbed quantum wires were found using the two-time dependent anticommutator Green's function method. The allowed energy band ...of electrons is strictly discrete. The electron wave vector takes discrete values in the confinement directions. The number of discrete states increases with wire thickness. The influence of boundary perturbation parameters onto dispersion law and space distributions of electrons were analyzed. It turned out that the electron energies shift towards higher values when the electron energies localization on wire boundaries increase. By increase of the electron hopping terms in boundary planes, energy spectrum can out-throw bulk energy limits. Through boundary conditions variations it is possible to induce appearance of energy gaps inside the spectra (the energy band of quantum wire becomes narrower than the one of the bulk) or the appearance of localized states (their presence has been confirmed through the analysis of the spatial distribution of electrons).
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•New ligands and corresponding palladium(II) complexes were synthesized.•Characterized by microanalysis, IR, 1H and 13C NMR spectroscopy, DFT calculations.•Antimicrobial activity for ...ligands and complexes were investigated.
A series of four new ligands of general formula R2-S,S-eddtrp·2HCl (L1–L4) and their palladium(II) complexes of general formula PdCl2(R2-S,S-eddtrp) (C1–C4) where R = ethyl, 1-propyl, 1-butyl and 1-pentyl; S,S-eddtrp·2HCl = ethylenediamine-N,N′-di-(3,3′-1H-indol-3yl)propionic acid dihydrochloride have been synthesized and characterized by elemental microanalysis, infrared, 1H and 13C NMR spectroscopy. The proposed structures of all compounds were examined by density functional theory (DFT). The ligands (L1–L4) and Pd(II) complexes (C1–C4) were screened for their antimicrobial activity against 19 microorganisms and minimum inhibitory concentrations (MIC) and minimum microbicidal concentration (MMC) were determinated. All tested ligands and complexes exhibited the highest antimicrobial activity on Escherichia coli ATCC 25922, being in range or higher than positive control, tetracycline.
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•New ligands and corresponding palladium(II) complexes were synthesized.•Characterization was performed by IR, 1H and 13C NMR spectroscopy.•The interactions of new complexes with ...CT-DNA and HSA were investigated.•In vitro cytotoxic activity of these ligands and complexes were evaluated.•Antimicrobial activity of ligands and complexes were investigated.
In this paper, we presented synthesis, characterization, HSA/DNA binding evaluation, in vitro cytotoxic activity and in vitro antimicrobial activity of three new ligands of general formula. R2-S,S-pddmb (L1-L3) and their corresponding palladium(II) complexes of general formula PdCl2(R2-S,S-pddmb) (R = n-propyl, n-butyl, n-pentyl; S,S-pddmb = (S,S)-propylenediamine-N,N'-di-2-(3-methyl)-butanoate). Ligands and complexes were characterized by elemental microanalysis, infrared, 1H and 13C NMR spectroscopy. The interactions of new palladium(II) complexes with human serum albumin (HSA) and calf thymus DNA (CT-DNA) were investigated using UV–Vis absorption and fluorescence spectroscopy. The high values of the binding constant, Kb, and the Stern-Volmer quenching constant, KSV, are the result of good binding of all complexes to HSA and CT-DNA. In vitro cytotoxic activity of these ligands and complexes was evaluated against four tumor cell lines, 4 T1, CT26, MDA-MD-468, HCT116 and mesenchymal stem cells (mMSC). C3 complex showed high cytotoxic activity against MDA-MD-468 cell line. Flow cytometry analysis showed that L3 ligand and the corresponding complex (C3) stimulated apoptosis of tumor cells via inhibition of expression of antiapoptotic Bcl-2 molecule. L3 ligand and C3 complex slowed down cell proliferation and arrested tumor cell in the G0/G1 phase by decreasing Cyclin-D expression and by increasing expression of P21. In vitro antimicrobial activity of ligands and complexes was also investigated. The testing was performed by microdilution method and minimum inhibitory concentration (MIC) and minimum microbicidal concentration (MMC) were determined. The testing was conducted against 12 microorganisms. The tested ligands and palladium(II) complexes showed selective and moderate activity.
The four new ligands, dialkyl esters of (
,
)-propylenediamine-
,
'-di-(2,2'-di-(4-hydroxy-benzil))acetic acid (R
-
,
-pddtyr·2HCl) (R = ethyl (L1), propyl (L2), butyl (L3), and pentyl (L4)) and ...corresponding palladium(II) complexes have been synthesized and characterized by microanalysis, infrared,
H NMR and
C NMR spectroscopy.
cytotoxicity was evaluated using the MTT assay on four tumor cell lines, including mouse mammary (4T1) and colon (CT26), and human mammary (MDA-MD-468) and colon (HCT116), as well as non-tumor mouse mesenchymal stem cells. Using fluorescence spectroscopy were investigated the interactions of new palladium(II) complexes PdCl
(R
-
,
-pddtyr); (R = ethyl (C1), propyl (C2), butyl (C3), and pentyl (C4)) with calf thymus human serum albumin (HSA) and DNA (CT-DNA). The high values of the binding constants,
, and the Stern-Volmer quenching constant,
, show the good binding of all complexes for HSA and CT-DNA. The mentioned ligands and complexes were also tested on
antimicrobial activity against 11 microorganisms. Testing was performed by the microdilution method, where the minimum inhibitory concentration (MMC) and the minimum microbicidal concentration (MMC) were determined.
The four new ligands, propylenediamine derivatives of phenylalanine (R2-S,S-pddbaˑ2HCl; L1-L4) and their palladium(II) complexes (C1-C4) were synthesized and characterized by elemental analysis, ...infrared, 1H and 13C NMR spectroscopy. The interactions of new palladium(II) complexes with human serum albumin (HSA) were studied by fluorescence spectroscopy. All investigated compounds can be transported to target cells by binding to HSA, but complex C4 interacts most strongly. Molecular docking simulations were applied to comprehend the binding of the complex to the molecular target of HSA. Obtained results are in good correlations with experimental data regarding binding affinity by HSA. In vitro cytotoxicity activities were investigated on four tumor cell lines (mouse mammary (4 T1) and colon (CT26), human mammary (MDA-MD-468) and colon (HCT116)) and mouse mesenchymal stem cells as non-tumor control cells. Cytotoxic capacity was determined by MTT test and according to obtained results ligand L4 stands out as the most active and selective compound and as a good candidate for future in vivo testing. Further examination of the ligand L4 and corresponding complex C4 led to the conclusion that both induced cell death mainly by apoptosis. Ligand L4 facilitated cycle arrest in G0/G1 phase and decreased proliferative capacity of tumor cells. In vitro antimicrobial activity for ligands and corresponding Pd(II) complexes was investigated against eleven microorganisms (eight strains of pathogenic bacteria and three yeast species) using microdilution method. The minimum inhibitory concentration and minimum microbicidal concentration were determined.
The four new ligand and their pallladium(II) complexes were synthesized and characterized by elemental microanalysis, IR, 1H, 13C NMR spectroscopy. The interactions of complexes with HSA were determined and molecular doking simulation were performed. In vitro cytotoxic and antimicrobial activity were tested. Display omitted
•Four new ligand were synthesized by new method.•Four new palladium(II) complexes were synthesized.•Characterization was performed by IR, 1H and 13C NMR spectroscopy.•The interactions of complexes and molecular docking with HSA were investigated.•Cytotoxic and antimicrobial activities of all compaunds were evaluated.
Newly palladium(II) complexes (C1, C2) with derivatives of 2-aminothiazoles (L1 = 2-amino-6-methylbenzothiazole, L2 = 2-amino-6-chlorobenzothiazole), general formula PdL2Cl2 were synthesized and ...characterized by elemental microanalyses, IR, NMR spectroscopy and X-ray spectroscopy in case of Pd(L2)2Cl2. The kinetic of the substitution reactions of complexes and the nucleophiles, such as guanosine-5′-monophosphate (5’-GMP), tripeptide glutathione (GSH) and amino acid L-methionine (L-Met), were studied by stopped-flow technique. The complex C2 was always more reactive, while the order of the reactivity of the nucleophiles, due to the associative mode of the reaction, was L-Met > GSH > 5’-GMP. In order to determine the type of interactions between palladium(II) complexes and calf thymus DNA (CT-DNA), we used electronic absorption spectroscopy, viscosity measurements, and fluorescence spectroscopic studies, while interactions with bovine serum albumin (BSA) were determined only with fluorescence spectroscopic studies. The observed results confirmed that both complexes bound to DNA by groove binding. The significantly strong interaction with BSA, especially for complex C2, was also observed. In vitro cytotoxic activity was evaluated against four tumor cell lines, 4 T1, CT26, MDA-MB-468, HCT116 and mesenchymal stem cells (mMSC). C1 complex showed higher cytotoxic activity against CT26 cell line. Flow cytometry analysis showed that C1 stimulated apoptosis of tumor cells via inhibition of expression of antiapoptotic Bcl-2 molecule and decelerated proliferation by decreasing Cyclin-D and increasing expression of P21. In vitro antimicrobial activity for ligands and corresponding palladium(II) complexes was investigated by microdilution method and minimum inhibitory concentration (MIC) and minimum microbicidal concentration (MMC) were determined. Tested compounds exhibited selective and moderate activity.
Newly complexes PdL2Cl2 (L1 = 2-amino-6-methylbenzothiazole, L2 = 2-amino-6-chlorobenzothiazole) were synthesized and characterized by elemental microanalysis, IR, 1H, 13C NMR and X-ray spectroscopy for Pd(L2)2Cl2. The kinetic of the substitution reactions and interactions of complexes with calf thymus DNA and bovine serum albumin were determined. In vitro cytotoxic and antimicrobial activity were tested. Display omitted
•Two new palladium(II) complexes were synthesized.•Characterization was performed by IR, 1H and 13C NMR and X-ray spectroscopy.•The kinetic of the substitution reactions were studied by stopped-flow technique.•The interactions of new complexes with calf thymus DNA and bovine serum albumin were investigated.•Cytotoxic and antimicrobial activities of palladium(II) complexes were evaluated.
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•New coumarine derivatives and palladium(II) complexes were synthesized.•Characterized by microanalysis, infrared, 1H and 13C NMR spectroscopy.•Monocrystal X-ray structural analysis ...and DFT calculations.•Antimicrobial activity for ligands and complexes is investigated.
The five coumarin derivatives 3-(1-(2-hydroxypropylamino)ethylidene)-chroman-2,4-dione (L1), 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione (L2), 3-(1-(o-toluidino)ethylidene)-chroman-2,4-dione (L3), 3-(1-(m-toluidino)ethylidene)-chroman-2,4-dione (L4), 3-(1-(2-mercaptoethylamino)ethylidene)-chroman-2,4-dione (L5) and its corresponding complexes 3-(1-(2-hydroxypropylamino)-ethylidene)-chroman-2,4-dione-palladium(II) (C1), 3-(1-(phenylamino)-ethylidene)-chroman-2,4-dione-palladium(II) (C2), 3-(1-(o-toluidino)-ethylidene)-chroman-2,4-dione-palladium(II) (C3), 3-(1-(m-toluidino)ethylidene)-chroman-2,4-dione-palladium(II) (C4), 3-(1-(2-mercaptoethylamino)ethylidene)-chroman-2,4-dione-palladium(II) (C5), were synthesized and characterized with microanalysis, infrared, 1H and 13C NMR spectroscopy. The proposed structures of ligands L3 and L4 were confirmed on the basis of the X-ray structural study. The ligands and their complexes were tested for their in vitro antimicrobial activity against 17 species of bacteria and fungi. Testing is performed by the microdilution method, with the minimum inhibitory concentration (MIC) and the minimum microbicidal concentration (MMC) being determined.
Introduction: Caries risk assessment is the essential step in the modern clinical approach to caries management. It is a basic prerequisite for the development of preventive measures and strategies ...for the primary prevention of caries. Its reliability is conditioned by the knowledge of relevant caries risk factors - indicators and predictors of caries. Aim: After reviewing the available literature, the paperwork aimed to analyse the importance of salivary levels of cationic antimicrobial peptides as indicators and predictors of caries in children, i.e., their possible role in caries risk assessment in children. Material and methods: The analysis included original articles in English which studied the association of salivary levels of cationic antimicrobial peptides with caries in children. Three databases were selected: PubMed, Scopus, and Web of Science, and the search was performed using the following keywords: saliva cationic peptides /antimicrobial peptides /AMP/ defensins/ cathelicidin/histatin/statherin/adrenomedullin/azurocidin AND dental caries AND children/children age. Conclusion: Cationic antimicrobial peptides could be important caries risk indicators in children. Unfortunately, there is currently no reliable evidence of their caries predictive value. Well-designed cross-sectional and long-term longitudinal studies are still required to clarify the significance of salivary cationic antimicrobial peptides as reliable caries risk indicators and caries predictors in children. At the same time, this would define their significance as caries risk biomarkers and their potential application in caries risk assessment in children.
Platinum(IV) complexes offer the potential to overcome cisplatin resistance of cancer cells, with possible improved selectivity. Resveratrol, a natural polyphenol with anticancer and antioxidant ...capacity, could limit the possible side effects of chemotherapeutics on healthy cells. This study investigates the effects of platinum(IV) complexes containing some esters of the ethylenediamine‐N,N′‐di‐S,S‐(2,2′‐dibenzyl)acetate acid (H2‐S,S‐eddba), and resveratrol on proliferation, migration, and redox balance of breast cancer (MDA‐MB‐231), choriocarcinoma (JEG‐3), and human lung fibroblast (MRC‐5) cell line. According to IC50 values, all complexes exhibited a significantly stronger antiproliferative effect on tested cell lines compared to cisplatin. Due to reduced adverse effects on MRC‐5 cells, the complex containing ethyl‐substituent (10 μM) was selected for further examination with resveratrol (25 μM) cotreatment. Resveratrol enhanced the survival of MRC‐5 cells while diminished the viability of both used cancer cell lines when applied combined with selected complex. Furthermore, cotreatment of these two compounds decreased the migratory potential of tested cancer cell lines. The examined platinum(IV) complex was able to induce oxidative stress in all tested cell lines. Resveratrol proved to be efficient in protecting MRC‐5 cells from complex‐induced oxidative damage, while it significantly amplified antiproliferative, antimigratory, and prooxidative effects of platinum(IV) complex on both examined cancer cell lines. These findings may be valuable in elucidating the mechanism of action of platinum(IV) drugs, which should be further investigated.
