Impact of temperature on the binding interaction between dsDNA and curcumin: An electrochemical study.

In this study, we investigated the binding mode between double-stranded deoxyribonucleic acid (dsDNA) and curcumin (CU) using differential pulse voltammetry (DPV), UV-Vis spectroscopy, and molecular docking. By employing these techniques, we predicted the binding within the minor groove region of dsDNA and CU. Significantly, we employed electrochemistry, specifically cyclic voltammetry (CV), to explore the temperature effect on the dsDNA and CU binding.

Nanocore-Shell Bone Filler Contained Mesoporous Silica Modified with Hydroxyapatite Precursors; Wrapped in a Natural Metal-Phenolic Network.

Various therapeutic strategies have been developed to address bone diseases caused by aging society and skeletal defects caused by trauma or accidental events. One such approach is using bone fillers, such as hydroxyapatite (HA) and bioactive glasses. Although they have provided effective osteogenesis, infection and inflammation due to the surgical procedure and uncontrolled ion release can hinder the efficiency of bone regeneration.

A curcumin-nicotinoyl derivative and its transition metal complexes: synthesis, characterization, and and biological behaviors.

Curcumin-nicotinoyl (Cur-Nic) was synthesized by the chemical modification of the curcumin structure, characterized, and used as a ligand for the synthesis of copper(II) and zinc(II) complexes. The biological activities of Cur-Nic and its metal complexes were predicted using the PASS and Swiss Target Prediction online software, respectively, and docking studies with tyrosine-protein kinase SRC were performed using the PyRx software to predict their anticancer activities. The toxicity effects of the complexes on a human breast cancer cell line (MCF-7) compared to a healthy breast cell line (MCF-10A) were investigated by the MTS assay.

A combined experimental and theoretical study of RuO/TiO heterostructures as a photoelectrocatalyst for hydrogen evolution.

We report a joint experimental and theoretical study of RuO/TiO heterostructures. In the experimental section, mesoporous RuO/TiO heterostructures were prepared by impregnation of mesoporous TiO nanoparticles which were synthesized from a new precursor, Na[Ti(CO)], in an aqueous solution of ruthenium(III) chloride followed by calcination at 300 °C. Using various techniques, the prepared TiO and RuO/TiO heterostructures were extensively characterized.

[Ru(tmphen)][Fe(CN)] and [Ru(phen)][Fe(CN)(NO)] complexes and formation of a heterostructured RuO-FeO nanocomposite as an efficient alkaline HER and OER electrocatalyst.

Water electrolysis is one of the most capable processes for supplying clean fuel. Herein, two novel ionic Ru(II)-Fe(II) complexes, [Ru(tmphen)][Fe(CN)] and [Ru(phen)][Fe(CN)(NO)], where tmphen = 3,4,7,8-tetramethyl-1,10-phenanthroline and phen = 1,10-phenanthroline, were synthesized and characterized by UV-Vis spectroscopy, elemental analysis, FT-IR, and single-crystal X-ray structural analysis. By thermally decomposing the [Ru(tmphen)][Fe(CN)] complex at 600 °C for 4 h, a heterostructured RuO-FeO nanocomposite was fabricated through a facile one-pot treatment and then characterized by FT-IR, XRD, FT-Raman, UV-Vis (DRS), ICP-OES, FE-SEM, TEM, TGA/DTG, BET, and XPS analyses, which revealed the formation of highly crystalline RuO-FeO nanoparticles with an average size of 8-12 nm.

Water-vapochromic behavior of a mononuclear Pd(II) complex of piroxicam: A DFT and TD-DFT study.

The vapochromic behavior of a mononuclear Pd(II) complex with piroxicam ligands (trans-[Pd(Pir)] (Pir is piroxicam anion)) in the presence of water vapor has been theoretically investigated using the time-dependent density functional theory (TD-DFT). The structure of Pd(II) complex interacting with different number of water molecules (n = 1-5) was optimized, separately. The electronic absorption spectra of the optimized structures were calculated using the TD-DFT method and the changes in the absorption spectrum of complex with the increase in the number of water molecules were followed.

Aptamer/magnetic nanoparticles decorated with fluorescent gold nanoclusters for selective detection and collection of human promyelocytic leukemia (HL-60) cells from a mixture.

In the present work, a fluorescent gold nanoclusters (GNCs)/superparamagnetic (FeO/GNCs) nanoprobe was prepared via a facile approach for the selective detection and imaging of human leukemica cancer cells (HL-60). (γ-Mercaptopropyl)trimethoxysilane (MPS) was used as a stabilizer to prepare functionalized GNCs. The prepared GNCs@MPS was then self-assembly decorated on the surface of FeO@SiO nanoparticles followed by poly(ethylene glycol) dimethacrylate (PGD) addition at room temperature to form FeO/GNCs nanoprobe.

Design and Synthesis of Gatekeeper Coated Dendritic Silica/Titania Mesoporous Nanoparticles with Sustained and Controlled Drug Release Properties for Targeted Synergetic Chemo-Sonodynamic Therapy.

New dendritic silica/titania mesoporous nanoparticles (DSTNs) loaded with curcumin (CUR) were synthesized and coated with polyethylenimine-folic acid groups (PEI-FA) for an ultrasound (US)-triggered drug release and combined chemo-sonodynamic therapy. The PEI-FA groups play a gatekeeper role, strongly encapsulate the CUR molecules inside the nanocarrier, and prevent the unwanted premature release by blocking the mesoporous channels. The results showed that the specific cancer cell uptake is improved by FA groups on the surfaces of DSTNs via receptor-mediated endocytosis.

Immobilization of gold nanoparticles on folate-conjugated dendritic mesoporous silica-coated reduced graphene oxide nanosheets: a new nanoplatform for curcumin pH-controlled and targeted delivery.

In the present study, a new sandwich-like nanocomposite as a multifunctional smart nanocarrier for curcumin (Cur) targeted delivery and cell imaging was prepared by immobilization of gold nanoparticles on folic acid-modified dendritic mesoporous silica-coated reduced graphene oxide nanosheets (AuNPs@GFMS). The physical and chemical properties of the nanocomposite were investigated by atomic force microscopy (AFM), transmission electron microscopy (TEM), X-ray diffraction (XRD), UV-Vis, field-emission scanning electron microscopy (FE-SEM), Fourier transformation infrared (FT-IR), and Brunauer-Emmett-Teller (BET) surface area analysis. The nanocarrier exhibits a number of interesting properties, including good biocompatibility, biodegradability, and suitable surface area, which results in high drug loading capacity.

Perrhenate-Catalyzed Deoxydehydration of a Vicinal Diol: A Comparative Density Functional Theory Study.

Oxo-rhenium compounds, such as perrhenate salts, have demonstrated preferable activity in catalyzing the deoxydehydration (DODH) reaction in the presence of reductants. Here, the first computational details of the reported DODH mechanisms are presented using the density functional theory (DFT) (M06/6-311+G(d,p)/LANL2DZ) to investigate the conversion of a vicinal diol into the corresponding alkene by ReO as a catalyst. The DFT studies were carried out to evaluate the DODH mechanisms, from the energy point of view, for the conversion of phenyl-1,2-ethanediol to styrene by perrhenate anion in the presence of PPh as a reductant through a detailed comparison of two potential pathways including pathway A and pathway B.

Synthesis, structure, DNA/protein binding, and cytotoxic activity of a rhodium(III) complex with 2,6-bis(2-benzimidazolyl)pyridine.

A new mononuclear rhodium(III) complex, [Rh(bzimpy)Cl] (bzimpy = 2,6-bis(2-benzimidazolyl)pyridine), was synthesized and characterized by elemental analysis and spectroscopic methods. The molecular structure of the complex was confirmed by single-crystal X-ray crystallography. The interaction of the complex with fish sperm DNA (FS-DNA) was investigated by UV spectroscopy, emission titration, and viscosity measurement in order to evaluate the possible DNA-binding mode and to calculate the corresponding DNA-binding constant.

Sensitive spectrophotometric determination of Co(II) using dispersive liquid-liquid micro-extraction method in soil samples.

Analytical performance of conventional spectrophotometer was developed by coupling of effective dispersive liquid-liquid micro-extraction method with spectrophotometric determination for ultra-trace determination of cobalt. The method was based on the formation of Co(II)-alpha-benzoin oxime complex and its extraction using a dispersive liquid-liquid micro-extraction technique. During the present work, several important variables such as pH, ligand concentration, amount and type of dispersive, and extracting solvent were optimized.

A mononuclear Cu(II) complex with 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine: Synthesis, crystal structure, DNA- and BSA-binding, molecular modeling, and anticancer activity against MCF-7, A-549, and HT-29 cell lines.

The copper(II) complex of 1,2,4-triazine derivatives, [Cu(dppt)2(H2O)](PF6)2(dppt is 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine), has been synthesized and fully characterized by spectroscopic methods and single crystal X-ray diffraction. The in vitro DNA-binding studies of the complex have been investigated by several methods. The results showed that the complex intercalates into the base pairs of DNA.

Antiproliferative effects of copper(II)-polypyridyl complexes in breast cancer cells through inducing apoptosis.

Although cisplatin has been used for decades to treat human cancer, some toxic side effects and resistance are observed. Previous investigations have suggested copper complexes as a novel class of tumor-cell apoptosis inducers. The present study aimed to evaluate the anti-breast cancer activities of two polypyridyl-based copper(II) complexes, [Cu(tpy)(dppz)](NO3)2 (1) and [Cu(tptz)2](NO3)2 (2) (tpy = 2,2':6',2″-terpyridine, dppz = dipyrido[3,2-a:2',3'-c]phenazine, tptz = 2,4,6-tris(2-pyridyl)-1,3,5-triazine), using human breast adenocarcinoma cell line (MCF-7).

Spectroscopic, biological, and molecular modeling studies on the interactions of [Fe(III)-meloxicam] with G-quadruplex DNA and investigation of its release from bovine serum albumin (BSA) nanoparticles.

The guanine-rich sequence, specifically in DNA, telomeric DNA, is a potential target of anticancer drugs. In this work, a mononuclear Fe(III) complex containing two meloxicam ligands was synthesized as a G-quadruplex stabilizer. The interaction between the Fe(III) complex and G-quadruplex with sequence of 5'-G3(T2AG3)3-3' (HTG21) was investigated using spectroscopic methods, molecular modeling, and polymerase chain reaction (PCR) assays.

A mononuclear zinc(II) complex with piroxicam: crystal structure, DNA- and BSA-binding studies; in vitro cell cytotoxicity and molecular modeling of oxicam complexes.

A new mononuclear Zn(II) complex, trans-[Zn(Pir)2(DMSO)2], where Pir(-) is 4-hydroxy-2-methyl-N-2-pyridyl-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide (piroxicam), has been synthesized and characterized. The crystal structure of the complex was obtained by the single crystal X-ray diffraction technique. The interaction of the complex with DNA and BSA was investigated.

A mononuclear Ni(II) complex with 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine: DNA- and BSA-binding and anticancer activity against human breast carcinoma cells.

DNA- and BSA-binding properties of a mononuclear Ni(II) complex, [Ni(dppt)2Cl2] (dppt = 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine), have been investigated under physiological conditions. The interaction of the complex with the fish sperm DNA (FS-DNA) has been studied by UV-Vis absorption, thermal denaturation, viscosity measurement, competitive DNA-binding studies with ethidium bromide (EB) by fluorescence, and gel electrophoresis technique. The experimental results indicate that the complex interacts with DNA by intercalative binding mode.

Preparation of new fluorophore lanthanide complexes-Cloisite nanohybrids using the tricationic Pr(III), Gd(III) and Dy(III) complexes with 9,10-phenanthrenequinone.

New fluorophore lanthanide complexes-Cloisite (LCs-C) nanohybrids have been prepared by the intercalation reaction of Cloisite Na(+) with the tricationic lanthanide complexes (1-3), [M(PQ)3(DMF)2(H2O)2](3+) (M=Pr(III) (1), Gd(III) (2), and Dy(III) (3); PQ=9,10-phenanthrenequinone), in aqueous solutions. The X-ray diffraction analysis of the modified clays (LCs-C) showed an increase in the interlayer distance (d) as compared to the pure Cloisite Na(+). Field-emission scanning electron microscopy (FE-SEM) was used to study the morphology of the modified clays and the results were demonstrated a homogeneous morphology for the nanohybrids.

Preparation, characterization and solid-state emission of metal complex-cloisite nanohybrids (MC-C, M = Ru (II) and Cu (II)).

The presence of Na(+) in the Cloisite Na(+) mineral allows modification of its interlayer space to achieve a better compatibility with the host matrix and ion-exchange with a cationic metal complex. The aim of this research is to prepare two new metal complex-Cloisite (MC-C) nanohybrids using reaction of Cloisite Na(+) with the cationic Ru (II) and Cu (II) complexes, [Ru (tpy) 2] (2+) and [Cu (Pir) (phen) (H2O) 2](+), in an aqueous solution for the first time. The X-ray diffraction (XRD) analysis of the modified clays has shown an increase in its interlayer distance as compared to the unmodified Cloisite Na(+).

Experimental and molecular modeling studies of the interaction of the polypyridyl Fe(II) and Fe(III) complexes with DNA and BSA.

Two mononuclear iron complexes, [Fe(tppz)₂](PF₆)₂·H₂O (1) and Fe(tppz)Cl₃·2CHCl₃ (2) where tppz is (2,3,5,6-tetra(2-pyridyl)pyrazine), have been synthesized and characterized by elemental analysis, spectroscopic methods (UV-Vis and IR) and single crystal X-ray structure analysis. The interaction of (1) as the nitrate salt ([Fe(tppz)₂](NO₃)₂) with calf-thymus DNA (CT-DNA) has been monitored by UV-Vis spectroscopy, competitive fluorescence titration, circular dichroism (CD), voltammetric techniques, viscosity measurement, and gel electrophoresis. Gel electrophoresis of DNA with [Fe(tppz)₂](NO₃)₂ demonstrated that the complex also has the ability to cleave supercoiled plasmid DNA.

Computational and experimental study on the electrocatalytic reduction of CO2 to CO by a new mononuclear ruthenium(ii) complex.

A new mononuclear ruthenium(ii) complex, trans-[Ru(dmb)2(Cl)(EtOH)](PF6) (dmb = 4,4'-dimethyl-2,2'-bipyridine), has been prepared and characterized by elemental analysis, spectroscopic techniques and single crystal X-ray structure determination. The complex was studied as a precatalyst for the electrocatalytic reduction of CO2 to CO in an acetonitrile solution by cyclic voltammetry (CV). The catalytic mechanism was investigated by means of quantum chemical calculations to gain deeper insight into the process of CO2 reduction.

DNA- and BSA-binding studies and anticancer activity against human breast cancer cells (MCF-7) of the zinc(II) complex coordinated by 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine.

Binding studies of a mononuclear zinc(II) complex, [Zn(dppt)2Cl2] (dppt is 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine), with DNA and bovine serum albumin (BSA) have been investigated under physiological conditions. The binding properties of the complex with fish sperm DNA (FS-DNA) have been investigated by UV-Vis absorption, thermal denaturation, competitive DNA-binding studies with ethidium bromide (EB) by fluorescence, and gel electrophoresis techniques. The competitive study with (EB) shows that the complex can displace EB from the DNA-EB system and compete for the DNA-binding sites with EB, which is usually characteristic of the intercalative interaction of compounds with DNA.

Experimental and molecular modeling studies on the interaction of the Ru(II)-piroxicam with DNA and BSA.

A mononuclear Ru(II) complex containing two piroxicam (Pir(-)) ligands was synthesized and fully characterized. Interaction studies of the Pir(-) anion and the Ru(II) complex with DNA and BSA were carried out using spectroscopic techniques. The results suggested that the Pir(-) anion binds to DNA in a moderately strong fashion via intercalation between the base stacks of double-stranded DNA, while the Ru(II) complex is a groove binder and interacts with DNA with more affinity.

Mononuclear Co(III) and Ni(II) complexes with polypyridyl ligands, [Co(phen)2(taptp)]3+ and [Ni(phen) 2(taptp)]2+: synthesis, photocleavage and DNA-binding.

Two novel, mixed ligand complexes of cobalt(III) and nickel(II), [Co(phen)2(taptp)](3+) (1) and [Ni(phen)2(taptp)](2+) (2) (phen = 1,10-phenanthroline and taptp = 4,5,9,18-tetraazaphenanthreno [9,10-b]triphenylene), were synthesized and characterized by elemental analyses, UV-visible and NMR spectroscopies. The binding interactions of the two complexes with DNA have been investigated using absorption and emission spectroscopy methods and electrophoresis measurement mode. The intrinsic binding constants for these complexes to DNA are in the order of 10(5).

Bis(triethyl-ammonium) tetra-chlorido-cobaltate(II).

The crystal structure of the title compound, (C(6)H(16)N)(2)[CoCl(4)], is comprised of a tetrahedral [CoCl(4)](2-) anion and two independent triethyl-ammonium cations. The latter are featureless while the [CoCl(4)](2-) anion exhibits typical Co-Cl bond lengths [2.2428 (15)-2.