Insights into the Theranostic Activity of Nonoxido V: Lysosome-Targeted Anticancer Metallodrugs.

Developing new anticancer agents can be useful, with the ability to diagnose and treat cancer worldwide. Previously, we focused on examining the effects of nonoxidovanadium(IV) complexes on insulin mimetic and cytotoxicity activity. In this study, in addition to the cytotoxic activity, we evaluated their bioimaging properties.

THz-EPR-based Magneto-Structural Correlations for Cobalt(II) Single-Ion Magnets With Bis-Chelate Coordination.

New cobalt(II)-based complexes with [NO] coordination formed by two bis-chelate ligands were synthesized and characterized by a multi-technique approach. The complexes possess an easy-axis anisotropy (D<0) and magnetic measurements show a field-induced slow relaxation of magnetization. The spin-reversal barriers, i.

Ga complexes of 8-hydroxyquinoline-2-carboxylic acid: Chemical speciation and biological activity.

The binding ability of 8-hydroxyquinoline-2-carboxylic acid (8-HQA) towards Ga has been investigated by ISEH (Ion Selective Electrode, glass electrode) potentiometric and UV/Vis spectrophotometric titrations in KCl at I = 0.2 mol dm and at T = 298.15 K.

A tutorial on potentiometric data processing. Analysis of software for optimization of protonation constants.

Defining the distribution of the chemical species in a multicomponent system is a task of great importance with applications in many fields. To clarify the identity and the abundance of the species that can be formed by the interaction of the components of a solution, it is fundamental to know the formation constants of those species. The determination of equilibrium constants is mainly performed through the analysis of experimental data obtained by different instrumental techniques.

Sustainable catalysts for efficient triazole synthesis: an immobilized triazine-based copper-NNN pincer complex on TiO.

The multistep synthesis of a hybrid material based on a TiO core with an immobilized triazine-based copper(II)-NNN pincer complex is reported. The formation of the material was confirmed by FT-IR spectroscopy and elemental and thermogravimetric analyses, and the loading by copper ions was quantified by ICP/OES analysis. The properties of the hybrid material were further investigated by X-ray photoelectron spectroscopy (XPS), contiuous wave electron spin resonance (CW-ESR), UV-vis spectroscopy, and argon sorption.

Defying the inverse energy gap law: a vacuum-evaporable Fe(ii) low-spin complex with a long-lived LIESST state.

The novel vacuum-evaporable complex [Fe(pypypyr)] (pypypyr = bipyridyl pyrrolide) was synthesised and analysed as bulk material and as a thin film. In both cases, the compound is in its low-spin state up to temperatures of at least 510 K. Thus, it is conventionally considered a pure low-spin compound.

Kink distortion of the pseudo- axis in pseudotetrahedral [NO] bis-chelate cobalt(II) single-ion magnets leads to increased magnetic anisotropy.

Two new mononuclear cobalt(II) complexes with the general formula [Co(L)] (1 and 2) were synthesized using bidentate Schiff base ligands with NO donor set, namely, 2-(benzothiazole-2-ylimino)methyl-5-(diethylamino)phenol (HL1) and its methyl substituted derivative 2-(6-methylbenzothiazole-2-ylimino)methyl-5-(diethylamino)phenol (HL2). X-ray structure analysis reveals a distorted pseudotetrahedral coordination sphere at the cobalt(II) ion, that cannot be described by a simple twisting of the two ligand chelate planes with respect to each other, which would imply a rotation about the pseudo- axis of the complex. Such a pseudo-rotation axis would approximately be colinear with the two vectors defined by the cobalt ion and the two centroids of the chelate ligands, where the angle between the two vectors would be 180° in an ideal pseudotetrahedral arrangement.

Weakening the Interchain Interactions in One Dimensional Cobalt(II) Coordination Polymers by Preventing Intermolecular Hydrogen Bonding.

The reaction of Co(NCS) with -methylaniline leads to the formation of [Co(NCS)(-methylaniline)] (), in which the cobalt(II) cations are octahedrally coordinated and linked into linear chains by pairs of thiocyanate anions. In contrast to [Co(NCS)(aniline)] () reported recently, in which the Co(NCS) chains are linked by strong interchain N-H···S hydrogen bonding, such interactions are absent in . Computational studies reveal that the cobalt(II) ions in compound show an easy-axis anisotropy that is lower than in , but with the direction of the easy axis being similar in both compounds.

Improving the performance of an anionic MOF by counter cation replacement as electrode material in a full cell setup of a potassium ion capacitor.

Potassium-based energy storage devices are attracting increasing attention as an alternative to lithium and sodium systems. In addition, metal-organic frameworks (MOFs) can be considered as promising electrode materials for this type of device due to their advantageous properties. Herein, the anionic MOF JUMP-1 and its analog with pre-loading of potassium cations, namely JUMP-1(K), were synthesized and characterized.

A Trinuclear High-Spin Iron(III) Complex with a Geometrically Frustrated Spin Ground State Featuring Negligible Magnetic Anisotropy and Antisymmetric Exchange.

The trinuclear high-spin iron(III) complex [FeCl(saltag)(py)]ClO {Hsaltag = 1,2,3-tris[(5-bromo-salicylidene)amino]guanidine} was synthesized and characterized by several experimental and theoretical methods. The iron(III) complex exhibits molecular 3-fold symmetry imposed by the rigid ligand backbone and crystallizes in trigonal space group 3̅ with the complex cation lying on a crystallographic axis. The high-spin states ( = /) of the individual iron(III) ions were determined by Mößbauer spectroscopy and confirmed by CASSCF/CASPT2 ab initio calculations.

Ruthenium(II)-Dithiocarbazates as Anticancer Agents: Synthesis, Solution Behavior, and Mitochondria-Targeted Apoptotic Cell Death.

The reaction of the Ru(PPh ) Cl with HL -OH (-OH stands for the oxime hydroxyl group; HL -OH=diacetylmonoxime-S-benzyldithiocarbazonate; HL -OH=diacetylmonoxime-S-(4-methyl)benzyldithiocarbazonate; and HL -OH=diacetylmonoxime-S-(4-chloro)benzyl-dithiocarbazonate) gives three new ruthenium complexes [Ru (L -H)(PPh ) Cl] (1-3) (-H stands for imine hydrogen) coordinated with dithiocarbazate imine as the final products. All ruthenium(II) complexes (1-3) have been characterized by elemental (CHNS) analyses, IR, UV-vis, NMR ( H, C, and P) spectroscopy, HR-ESI-MS spectrometry and also, the structure of 1-2 was further confirmed by single crystal X-ray crystallography. The solution/aqueous stability, hydrophobicity, DNA interactions, and cell viability studies of 1-3 against HeLa, HT-29, and NIH-3T3 cell lines were performed.

Magnetic Anisotropy and Relaxation of Pseudotetrahedral [N O ] Bis-Chelate Cobalt(II) Single-Ion Magnets Controlled by Dihedral Twist Through Solvomorphism.

The methanol solvomorph 1 ⋅ 2MeOH of the cobalt(II) complex [Co(L ) ] (1) with the sterically demanding Schiff-base ligand 2-(([1,1'-biphenyl]-2-ylimino)methyl)phenol (HL ) shows the thus far largest dihedral twist distortion between the two chelate planes compared to an ideal pseudotetrahedral arrangement. The cobalt(II) ion in 1 ⋅ 2MeOH exhibits an easy-axis anisotropy leading to a spin-reversal barrier of 55.3 cm , which corresponds to an increase of about 17 % induced by the larger dihedral twist compared to the solvent-free complex 1.

Low-Coordinate Iron(II) Amido Half-Sandwich Complexes with Large Internal Magnetic Hyperfine Fields.

The half-sandwich complex [Cp'Fe{N(dipp)(SiMe)}] (; Cp' = 1,2,4-tri--butylcyclopentadienyl and dipp = 2,6-diisopropylphenyl) and the mixed metallocene [Cp'Fe{(η-CHPr)═N(SiMe)}] () formed in the reaction between [{Cp'Fe(μ-I)}] and [Li{N(dipp)(SiMe)}] were characterized by NMR spectroscopy and X-ray diffraction analysis. complements the series of low-coordinate, quasi-linear iron amido half-sandwich complexes [Cp'Fe{N(Bu)(SiMe)}] () and [Cp'Fe{N(SiMe)}] () reported earlier, and all three compounds were characterized in the solid state by zero-field Fe Mössbauer spectroscopy and magnetic susceptibility measurements, confirming their = 2 electronic ground state. Moreover, the Mössbauer absorption spectra reveal slow paramagnetic relaxation at low temperatures with large internal magnetic hyperfine fields of = 96.

Targeted Suppression of Peptide Degradation in Ag-Based Surface-Enhanced Raman Spectra by Depletion of Hot Carriers.

Sample degradation, in particular of biomolecules, frequently occurs in surface-enhanced Raman spectroscopy (SERS) utilizing supported silver SERS substrates. Currently, thermal and/or photocatalytic effects are considered to cause sample degradation. This paper establishes the efficient inhibition of sample degradation using iodide which is demonstrated by a systematic SERS study of a small peptide in aqueous solution.

Elucidation of the anti-plasmodial activity of novel imidazole and oxazole compounds through computational and experimental approaches.

The development of resistance to conventional antimalarial therapies, along with the unfavorable impact of the COVID-19 pandemic on the global malaria fight, necessitates a greater focus on the search for more effective antimalarial drugs. Targeting a specific enzyme of the malaria parasite to alter its metabolic pathways is a reliable technique for finding antimalarial drug candidates. In this study, we used an technique to test four novel imidazoles and an oxazole derivative for inhibitory potential against Plasmodium lactate dehydrogenase (pLDH), a unique glycolytic enzyme necessary for parasite survival and energy production.

Co(NCS) Chain Compound with Alternating 5- and 6-Fold Coordination: Influence of Metal Coordination on the Magnetic Properties.

The reaction of Co(NCS) with 3-bromopyridine leads to the formation of discrete complexes [Co(NCS)(3-bromopyridine)] (), [Co(NCS)(3-bromopyridine)(HO)] (), and [Co(NCS)(3-bromopyridine)(MeOH)] () depending on the solvent. Thermogravimetric measurements on and show a transformation into [Co(NCS)(3-bromopyridine)] (), which upon further heating is converted to [{Co(NCS)}(3-bromopyridine)] (), whereas transforms directly into upon heating. Compound can also be obtained from solution, which is not possible for .

Hydroxypyridinones in nitrogen-fixing bacterial cultures: a metal buffer for molybdenum and simulation of natural conditions.

Organic matter regulates the availability of important trace elements in aquatic and terrestrial ecosystems by acting as a source and container for microbes. To overcome the limitation of trace elements, nitrogen-fixing bacteria, e.g.

Evaluation of DNA/BSA interaction and in vitro cell cytotoxicity of μ-oxido bridged divanadium(V) complexes containing ONO donor ligands.

Two new μ-oxido bridged divanadium (V) complexes, [VO(L)] (1 and 2) have been synthesized using bi-negative tridentate ONO-donor ligands, HL (HL = 4-tert-butyl-2-[[[3,5-di-tert-butyl-2-hydroxyphenyl]methylene]amino]phenol and HL = 5-bromo-2-[[[4-(diethylamino)-2-hydroxyphenyl]methylene]amino]phenol). The synthesized ligands and complexes have been characterized through FT-IR, UV-vis, NMR, and HR-ESI-MS techniques. Single crystal X-ray crystallography data confirmed distorted square pyramidal geometry for both the complexes.

Precursor Engineering for the Synthesis of Mixed Anionic Metal (Cu, Mn) Chalcogenide Nanomaterials via Solvent-Less Synthesis.

Metal-organic ligands with mixed chalcogenides are potential compounds for the preparation of mixed anionic metal chalcogenide alloys. However, only a few of such ligands are known, and their complexes are not well explored. We have prepared homo- and hetero-dichalcogenoimidodiphosphinate [(EE'PPrNH)] (E, E' = Se, Se; S, S; S, Se) complexes of manganese and copper through metathetical reactions.

Enhancing Capacity and Stability of Anionic MOFs as Electrode Material by Cation Exchange.

In this study we report on the characterization and use of the anionic metal-organic framework (MOF) JUMP-1, [(MeNH)[Co(ntb)(bdc)]] , alongside with its alkali-metal ion-exchanged analogs JUMP-1(Li) and JUMP-1(Na), as electrode materials for lithium and sodium batteries. Composite electrodes containing these anionic-MOFs were prepared and tested in 1 M lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) in propylene carbonate (PC) and/or 1 M sodium TFSI (NaTFSI) in PC. We showed that the ion-exchanged materials JUMP-1(Li) and JUMP-1(Na) display higher capacities in comparison with the original as-prepared compound JUMP-1 (490 mA∙h∙g vs.

The anti-parasite action of imidazole derivatives likely involves oxidative stress but not HIF-1α signaling.

Background: Therapeutic options for toxoplasmosis are limited. This fact underscores ongoing research efforts to identify and develop better therapy. Previously, we reported the anti-parasitic potential of a new series of derivatives of imidazole.

Computational study of the therapeutic potentials of a new series of imidazole derivatives against SARS-CoV-2.

Owing to the urgent need for therapeutic interventions against the SARS-coronavirus 2 (SARS-CoV-2) pandemic, we employed an in silico approach to evaluate the SARS-CoV-2 inhibitory potential of newly synthesized imidazoles. The inhibitory potentials of the compounds against SARS-CoV-2 drug targets - main protease (Mpro), spike protein (Spro) and RNA-dependent RNA polymerase (RdRp) were investigated through molecular docking analysis. The binding free energy of the protein-ligand complexes were estimated, pharmacophore models were generated and the absorption, distribution, metabolism, excretion and toxicity (ADMET) properties of the compounds were determined.

Magnetic investigations of monocrystalline [Co(NCS)(L)]: new insights into single-chain relaxations.

A large single crystal of a compound from the family of coordination polymer [Co(NCS)2(L)2]n chains was synthesized and its magnetic properties are reported. [Co(NCS)2(4-(3-phenylpropyl)pyridine)2]n is ferromagnetic with Tc = 3.39 K.

Spin-Electric Coupling in a Cobalt(II)-Based Spin Triangle Revealed by Electric-Field-Modulated Electron Spin Resonance Spectroscopy.

A cobalt(II)-based spin triangle shows a significant spin-electric coupling. [Co (pytag)(py) Cl ]ClO ⋅3 py crystallizes in the acentric monoclinic space group P2 . The intra-triangle antiferromagnetic interaction, of the order of ca.