Zinc Sensing with Pyridine-Based Lanthanide Contrast Agent: Structural Analysis in Aqueous Solution.

Zinc is an important physiological cation, and its misregulation is implicated in various diseases. It is therefore important to be able to image zinc by non-invasive methods such as Magnetic Resonance Imaging (MRI). In this work, we have successfully synthesized a novel Gd3+-based complex specifically for Zn2+ sensing by MRI.

Multi-Analytical Approach for the Acid-Base, Thermal and Surface Properties Assessment of Waste Biomasses.

A multi-analytical approach was used to comprehensively characterize the acid-base, thermal, and surface properties of agri-food processing wastes (i.e., original and pre-treated bergamot, grape and olive pomaces).

Selective Co(II) and Ni(II) Separation Using the Trihexyl(tetradecyl)phosphonium Decanoate Ionic Liquid.

The room temperature ionic liquid trihexyl(tetradecyl)phosphonium decanoate ([P][Dec]) was employed in the liquid-liquid extraction of Co(II) from hydrochloric acid solutions in the presence of Ni(II). The extraction performance in liquid-liquid separations showed a strong dependence on the acid content of the feed aqueous solution. The best performance in terms of extracted cobalt and selectivity was obtained when the feed contained a HCl concentration above 6 M On the contrary, when the experiment was performed in absence of HCl, a lower extraction and Co/Ni selectivity were obtained.

In-Depth XANES and EXAFS Characterization of the Ag Ion Coordination in Dimethyl Sulfoxide Solution.

X-ray absorption near-edge structure (XANES) spectroscopy has been used, in conjunction with extended X-ray absorption fine structure (EXAFS), to determine the coordination structure of the Ag ion in a dimethyl sulfoxide (DMSO) solution. From the EXAFS data analysis, the Ag-O first shell distance in DMSO was found to be 2.31(3) Å, with 4.

Effects of PDE-3 inhibition in persistent post-traumatic headache: evidence of cAMP-dependent signaling.

Background: Phosphodiesterase 3 (PDE-3) inhibition have been implicated in the neurobiologic underpinnings of migraine. Considering the clinical similarities between migraine and persistent post-traumatic headache (PPTH), we aimed to ascertain whether PDE-3 inhibition can elicit migraine-like headache in persons with PPTH.

Methods: We tested cilostazol, which inhibits PDE-3, in a randomized, double-blind, placebo-controlled, two-way crossover study involving persons with PPTH attributed to mild traumatic brain injury.

Epidemiology and clinical features of hypnic headache: A systematic review and meta-analysis.

Background: Hypnic headache is a neurological disorder characterized by recurrent headache attacks that occur exclusively during sleep, leading to awakening. Synthesizing the available epidemiological data might inform clinical decision-making.

Methods: We searched PubMed and Embase for observational studies on hypnic headache published between 1 May 2004, and 22 December 2022.

Circularly Polarized Luminescence from New Heteroleptic Eu(III) and Tb(III) Complexes.

The complexes [Eu(bpcd)(tta)], [Eu(bpcd)(Coum)], and [Tb(bpcd)(Coum)] [tta = 2-thenoyltrifluoroacetyl-acetonate, Coum = 3-acetyl-4-hydroxy-coumarin, and bpcd = ,'-bis(2-pyridylmethyl)--1,2-diaminocyclohexane-,'-diacetate] have been synthesized and characterized from photophysical and thermodynamic points of view. The optical and chiroptical properties of these complexes, such as the total luminescence, decay curves of the Ln(III) luminescence, electronic circular dichroism, and circularly polarized luminescence, have been investigated. Interestingly, the number of coordinated solvent (methanol) molecules is sensitive to the nature of the metal ion.

Comparative study on removal of platinum cytostatic drugs at trace level by cysteine, diethylenetriamino functionalized Si-gels and polyethyleneimine functionalized sponge: Adsorption performance and mechanisms.

To efficiently remove trace Pt-based cytostatic drugs (Pt-CDs) from aqueous environments, a comparative investigation was conducted on the adsorption behavior of three commercial adsorbents including cysteine-functionalized silica gel (Si-Cys), 3-(diethylenetriamino) propyl-functionalized silica gel (Si-DETA) and open-celled cellulose MetalZorb® sponge (Sponge). The research on the adsorption of cisplatin and carboplatin encompasses investigations of pH dependence, adsorption kinetics, adsorption isotherms, and adsorption thermodynamics. The obtained results were compared with those of PtCl to better understand the adsorption mechanisms.

Dynamics of the Energy Transfer Process in Eu(III) Complexes Containing Polydentate Ligands Based on Pyridine, Quinoline, and Isoquinoline as Chromophoric Antennae.

In this work, we investigated from a theoretical point of view the dynamics of the energy transfer process from the ligand to Eu(III) ion for 12 isomeric species originating from six different complexes differing by nature of the ligand and the total charge. The cationic complexes present the general formula [Eu(L)(HO)] (where L = bpcd = ,'-bis(2-pyridylmethyl)--1,2-diaminocyclohexane ,'-diacetate; bQcd = ,'-bis(2-quinolinmethyl)--1,2-diaminocyclohexane ,'-diacetate; and bQcd = ,'-bis(2-isoquinolinmethyl)-1,2-diaminocyclohexane ,'-diacetate), while the neutral complexes present the Eu(L)(HO) formula (where L = PyC3A = -picolyl-,','--1,2-cyclohexylenediaminetriacetate; QC3A = -quinolyl-,','-1,2-cyclohexylenediaminetriacetate; and QC3A = -isoquinolyl-,','-1,2-cyclohexylenediaminetriacetate). Time-dependent density functional theory (TD-DFT) calculations provided the energy of the ligand excited donor states, distances between donor and acceptor orbitals involved in the energy transfer mechanism (), spin-orbit coupling matrix elements, and excited-state reorganization energies.

Entropy and Enthalpy Effects on Metal Complex Formation in Non-Aqueous Solvents: The Case of Silver(I) and Monoamines.

Access to the enthalpy and entropy of the formation of metal complexes in solution is essential for understanding the factors determining their thermodynamic stability and speciation. As a case study, in this report we systematically examine the complexation of silver(I) in acetonitrile (AN) with the following monoamines: n-propylamine (), n-butylamine (), hexylamine (), diethylamine (), dipropylamine (), dibutylamine (), triethylamine () and tripropylamine (). The study shows that the complex stabilities are quite independent of the length of the substitution chain on the N atom and demonstrates that, in general, the overall enthalpy terms associated with the complex formation are strongly exothermic, whereas the entropy values oppose the complex formations.

Regreening properties of the soil slow-mobile Hbpcd/Fe complex: Steps forward to the development of a new environmentally friendly Fe fertilizer.

The application of synthetic Fe-chelates stands for the most established agronomical practice to alleviate lime-induced chlorosis, which still constitutes a major agronomic problem. However, the percolation through the soil profile due to the negative charge of the most deployed molecules results in agronomical and environmental problems. Hbpcd/Fe complex features distinctive chemical characteristics, including moderate stability of the Fe(bpcd) species (log = 20.

Enantioselective Cytotoxicity of Chiral Diphosphine Ruthenium(II) Complexes Against Cancer Cells.

The chiral cationic complex [Ru(η -OAc)(CO)((R,R)-Skewphos)(phen)]OAc (2 ), isolated from reaction of [Ru(η -OAc)(η -OAc)(R,R)-Skewphos)(CO)] (1 ) with phen, reacts with NaOPiv and KSAc affording [RuX(CO)((R,R)-Skewphos)(phen)]Y (X=Y=OPiv 3 ; X=SAc, Y=OAc 4 ). The corresponding enantiomers 2 -4 have been obtained from 1 containing (S,S)-Skewphos. Reaction of 2 and 2 with (S)-cysteine and NaPF at pH=9 gives the diastereoisomers [Ru((S)-Cys)(CO)(PP)(phen)]PF (PP=(R,R)-Skewphos 2 -Cys; (S,S)-Skewphos 2 -Cys).

Influence of taste stimulation on sucking pressure in newborn infants at term.

Purpose: To verify the influence of a taste stimulus on the suction pressure, during the non-nutritive sucking (SNN), in newborns, healthy and with weight appropriate to the gestational age.

Methods: Quasi-experimental study of the non-randomized clinical trial type with a convenience sample of 60 newborns (NB), 30 allocated in the study group (EG) and 30 in the control group (CG). The NB were evaluated for sucking pressure during the SNN in a pacifier.

Thermodynamic Study of Oxidovanadium(IV) with Kojic Acid Derivatives: A Multi-Technique Approach.

The good chelating properties of hydroxypyrone (HPO) derivatives towards oxidovanadium(IV) cation, VO, constitute the precondition for the development of new insulin-mimetic and anticancer compounds. In the present work, we examined the VO complex formation equilibria of two kojic acid (KA) derivatives, L4 and L9, structurally constituted by two kojic acid units linked in position 6 through methylene diamine and diethyl-ethylenediamine, respectively. These chemical systems have been characterized in solution by the combined use of various complementary techniques, as UV-vis spectrophotometry, potentiometry, NMR and EPR spectroscopy, ESI-MS spectrometry, and DFT calculations.

Correction to: Analysing the Combined Health, Social and Economic Impacts of the Corona Virus Pandemic Using Agent‑Based Social Simulation.

[This corrects the article DOI: 10.1007/s11023-020-09527-6.].

Intercalation Ability of Novel Monofunctional Platinum Anticancer Drugs: A Key Step in Their Biological Action.

Phenanthriplatin (PtPPH) is a monovalent platinum(II)-based complex with a large cytotoxicity against cancer cells. Although the aqua-activated drug has been assumed to be the precursor for DNA damage, it is still under debate whether the way in which that metallodrug attacks to DNA is dominated by a direct binding to a guanine base or rather by an intercalated intermediate product. Aiming to capture the mechanism of action of PtPPH, the present contribution used theoretical tools to systematically assess the sequence of all possible mechanisms on drug activation and reactivity, for example, hydrolysis, intercalation, and covalent damage to DNA.

Coordination of the Co and Ni Ions in TfN Based Ionic Liquids: A Combined X-ray Absorption and Molecular Dynamics Study.

Molecular dynamics (MD) simulations and X-ray absorption spectroscopy (XAS) have been combined to study the coordination of the Co and Ni ions in ionic liquids (ILs) based on the bis(trifluoromethylsulfonyl)imide ([TfN]) anion and having different organic cations, namely, 1-butyl-3-methylimidazolium ([Cmim]), 1,8-bis(3-methylimidazolium-1-yl)octane ([C(mim)]), ,,-trimethyl--(2-hydroxyethyl)ammonium ([choline]), and butyltrimethylammonium ([BTMA]). Co and Ni K-edge XAS data have been collected on 0.1 mol L Co(TfN) and Ni(TfN) solutions and on the metallic salts.

Isoquinoline-based Eu(iii) luminescent probes for citrate sensing in complex matrix.

A neutral Eu(iii) complex containing the S,S enantiomer of isoQC3A ligand (isoQC3A = N-isoquinolyl-N,N',N'-trans-l,2-cyclohexylenediaminetriacetate) was synthesized and characterized. The complex was spectroscopically investigated and the results compared with those obtained for the similar bis-anionic ligand bisoQcd (bisoQcd = N,N'-bis(2-isoquinolinmethyl)-trans-1,2-diaminocyclohexane N,N'-diacetate). Both Eu(iii)-complexes show similar binding constants upon titration with the main analytes contained in interstitial extracellular fluid (i.

Elusive Coordination of the Ag Ion in Aqueous Solution: Evidence for a Linear Structure.

X-ray absorption spectroscopy (XAS) has been employed to study the coordination of the Ag ion in aqueous solution. The conjunction of extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) data analysis provided results suggesting the preference for a first shell linear coordination with a mean Ag-O bond distance of 2.34(2) Å, different from the first generally accepted tetrahedral model with a longer mean Ag-O bond distance.

Analysing the Combined Health, Social and Economic Impacts of the Corovanvirus Pandemic Using Agent-Based Social Simulation.

During the COVID-19 crisis there have been many difficult decisions governments and other decision makers had to make. E.g.

Effect of the Heteroaromatic Antenna on the Binding of Chiral Eu(III) Complexes to Bovine Serum Albumin.

The cationic enantiopure () and luminescent Eu(III) complex [Eu(bQcd)(HO)] OTf (with bQcd = -bis(2-quinolinmethyl)--1,2-diaminocyclohexane -diacetate and OTf = triflate) was synthesized and characterized. At physiological pH, the 1:1 [Eu(bQcd)(HO)] species, possessing two water molecules in the inner coordination sphere, is largely dominant. The interaction with bovine serum albumin (BSA) was studied by means of several experimental techniques, such as luminescence spectroscopy, isothermal titration calorimetry (ITC), molecular docking (MD), and molecular dynamics simulations (MDS).

Synthesis and evaluation of resveratrol derivatives as fetal hemoglobin inducers.

Resveratrol (RVT) derivatives (10a-i) were designed, synthesized, and evaluated for their potential as gamma-globin inducers in treating Sickle Cell Disease (SCD) symptoms. All compounds were able to release NO at different levels ranging from 0 to 26.3%, while RVT did not demonstrate this effect.