Stability constants of complexes ≈ Stability constants of complexes
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Speciation Studies of Bifunctional 3-Hydroxy-4-Pyridinone Ligands in the Presence of Zn2+ at Different Ionic Strengths and Temperatures Open
The acid–base properties of two bifunctional 3-hydroxy-4-pyridinone ligands and their chelating capacity towards Zn2+, an essential bio-metal cation, were investigated in NaCl aqueous solutions by potentiometric, UV-Vis spectrophotometric,…
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Natural Indices for the Chemical Hardness/Softness of Metal Cations and Ligands Open
Quantitative understanding of reactivity and stability for a chemical species is fundamental to chemistry. The concept has undergone many changes and additions throughout the history of chemistry, stemming from the ideas such as Lewis acid…
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Predicting Stability Constants for Uranyl Complexes Using Density Functional Theory Open
The ability to predict the equilibrium constants for the formation of 1:1 uranyl/ligand complexes (log K1 values) provides the essential foundation for the rational design of ligands with enhanced uranyl affinity and selectivity. We use de…
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Competition between copper and iron for humic ligands in estuarine waters Open
We determined the concentration of iron- and copper-binding humic substances (Fe-HS and Cu-HS) in estuarine waters along with the concentrations of iron- and copper-complexing ligands (LFe and LCu). Suwannee River humic acid (SRHA) was use…
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Evaluation and Characterization of Curcumin-β-Cyclodextrin and Cyclodextrin-Based Nanosponge Inclusion Complexation Open
Cyclodextrin polymers and cyclodextrin-based nanosponges have been widely investigated for increasing drug bioavailability. This study examined curcumin’s complexation stability and solubilization with β-cyclodextrin and β-cyclodextrin-bas…
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Determination of formation constants and structural characterization of cyclodextrin inclusion complexes with two phenolic isomers: carvacrol and thymol Open
Carvacrol and thymol have been widely studied for their ability to control food spoilage and to extend shelf-life of food products due to their antimicrobial and antioxidant activities. However, they suffer from poor aqueous solubility and…
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Synthesis and Characterization of the Actinium Aquo Ion Open
Metal aquo ions occupy central roles in all equilibria that define metal complexation in natural environments. These complexes are used to establish thermodynamic metrics (i.e., stability constants) for predicting metal binding, which are …
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Predicting the Thermodynamic Stability of Zirconium Radiotracers Open
The thermodynamic stability of a metal-ligand complex, as measured by the formation constant (log β), is one of the most important parameters that determines metal ion selectivity and potential applications in, for example, radiopharmaceut…
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Metal Chelation Therapy and Parkinson’s Disease: A Critical Review on the Thermodynamics of Complex Formation between Relevant Metal Ions and Promising or Established Drugs Open
The present review reports a list of approximately 800 compounds which have been used, tested or proposed for Parkinson’s disease (PD) therapy in the year range 2014–2019 (April): name(s), chemical structure and references are given. Among…
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Synthesis, characterization, and biological activity of new mixed ligand transition metal complexes of glutamine, glutaric, and glutamic acid with nitrogen based ligands Open
A new series of Cu(II), Co(II), Ni(II), and Fe(II) ternary complexes of glutamine, glutaric, and glutamic acid with imidazole derivatives have been synthesized. The nature of the bonding and the stereochemistry of the complexes have been d…
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Zinc Binding to Fulvic acids: Assessing the Impact of pH, Metal Concentrations and Chemical Properties of Fulvic Acids on the Mechanism and Stability of Formed Soluble Complexes Open
The aim of the study was defined as a complementary analysis of molecular interactions between zinc (Zn) and fulvic acids (FAs) at a broad pH range (3–7), different metal concentrations (0–50 mg dm−3) and chemical properties of FAs and the…
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Complex of Rutin with β-Cyclodextrin as Potential Delivery System Open
This study aimed to obtain and characterize an RU-β-CD complex in the context of investigating the possibility of changes in the solubility, stability, antioxidative and microbiological activity as well as permeability of complexated rutin…
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Complexation of Mn(II) by Rigid Pyclen Diacetates: Equilibrium, Kinetic, Relaxometric, Density Functional Theory, and Superoxide Dismutase Activity Studies Open
We report the Mn(II) complexes with two pyclen-based ligands (pyclen = 3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene) functionalized with acetate pendant arms at either positions 3,6 (3,6-PC2A) or 3,9 (3,9-PC2A) of the macroc…
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Anion Complexes with Tetrazine-Based Ligands: Formation of Strong Anion−π Interactions in Solution and in the Solid State Open
Ligands L1 and L2, consisting of a tetrazine ring decorated with two morpholine pendants of different lengths, show peculiar anion-binding behaviors. In several cases, even the neutral ligands, in addition to their protonated HL+ and H2L2+…
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Highly Preorganized Ligand 1,10-Phenanthroline-2,9-dicarboxylic Acid for the Selective Recovery of Uranium from Seawater in the Presence of Competing Vanadium Species Open
Studies of the complexation of new promising ligands with uranyl (UO22+) and other seawater cations can aid the development of more efficient, selective, and robust sorbents for the recovery of uranium from seawater. In this work, we propo…
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Synthesis, spectroscopic characterization, antimicrobial activity, molecular docking and DFT studies of proton transfer (H-bonded) complex of 8-aminoquinoline (donor) with chloranilic acid (acceptor) Open
The proton transfer complex has been synthesized by mixing 1:1 ratio of 8-aminoquinoline (donor) and chloranilic acid (acceptor) in methanol. FTIR, 13C NMR, 1H NMR, Powder XRD and UV-visible studies confirmed the formation of the newly syn…
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H<sub>4</sub>octapa: Highly Stable Complexation of Lanthanide(III) Ions and Copper(II) Open
The acyclic ligand octapa(4-) (H4octapa = 6,6'-((ethane-1,2-diylbis((carboxymethyl)azanediyl))bis(methylene))dipicolinic acid) forms stable complexes with the Ln(3+) ions in aqueous solution. The stability constants determined for the comp…
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Physico-chemical properties of MnII complexes formed with cis- and trans-DO2A: thermodynamic, electrochemical and kinetic studies Open
MnII complexes formed with cis- and trans-DO2A (DO2A=1,4,7,10-tetraazacyclododecane-1,4 (or 1,7) -diacetic acid) chelators were investigated by pH-potentiometry, 1H relaxometry, UV-vis spectrophotometry and cyclic voltammetry. The physico-…
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Scandium(<span>iii</span>) complexes of monophosphorus acid DOTA analogues: a thermodynamic and radiolabelling study with<sup>44</sup>Sc from cyclotron and from a<sup>44</sup>Ti/<sup>44</sup>Sc generator Open
The influence of the phosphonic/phosphinic acid pendant arm in DOTA derivatives on properties of their Sc3+complexes and efficiency of their44Sc labelling were investigated.
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Thermodynamic properties of hydroxypropyl-β-cyclodextrin/guest interaction: a survey of recent studies Open
For many years, cyclodextrins (CDs) have been the object of attention for their capability of improving the stability, solubility and bioavailability of numerous molecules of interest, including drugs and nutraceuticals. They have low toxi…
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Ligand exchange method for determination of mole ratios of relatively weak metal complexes: a comparative study Open
Ligand exchange method is introduced as an alternative to Job's and mole ratio methods for studying the stoichiometry of relatively weak metal complexes in solutions. The method involves adding varying amounts of a ligand (L) to an excess …
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Physicochemical Characterization, Molecular Docking, and <i>In Vitro</i> Dissolution of Glimepiride–Captisol Inclusion Complexes Open
This present study investigated the effect of Captisol, a chemically modified cyclodextrin, on the in vitro dissolution of glimepiride. We prepared glimepiride-Captisol complexes of different mass ratios (1:1, 1:2, and 1:3 w/w) by a physic…
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The solution thermodynamic stability of desferrioxamine B (DFO) with Zr(IV) Open
Desferrioxamine B (DFO, [H4L]+, ligand) is currently the preferred chelator for 89Zr(IV), however the biological studies suggest that it releases the metal ion in vivo. Herein, we present the solution thermodynamics of complexes formed bet…
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Phytochelatins as a Dynamic System for Cd(II) Buffering from the Micro- to Femtomolar Range Open
Phytochelatins (PCs) are short Cys-rich peptides with repeating γ-Glu-Cys motifs found in plants, algae, certain fungi, and worms. Their biosynthesis has been found to be induced by heavy metals-both biogenic and toxic. Among all metal ind…
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Co-solvation effect on the binding mode of the α-mangostin/β-cyclodextrin inclusion complex Open
Cyclodextrins (CDs) have been extensively utilized as host molecules to enhance the solubility, stability and bioavailability of hydrophobic drug molecules through the formation of inclusion complexes. It was previously reported that the u…
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Stability Constants of Metal Complexes in Solution Open
In the formation of metal complexes in an aqueous medium, equilibrium constant or stability constant is used to determine the strength of interaction between reagents that make the final product after the formation of bonds. In general sta…
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Synthesis and Biological Evaluation of Novel Zn(II) and Cd(II) Schiff Base Complexes as Antimicrobial, Antifungal, and Antioxidant Agents Open
(E)-N,N-Dimethyl-2-((E-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (DMPTHP) and their Zn(II) and Cd(II) complexes have been synthesized and characterized. Different tools of analysis such as elemental analyses, IR, …
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Heavy Metal Complexation of Thiol-Containing Peptides from Soy Glycinin Hydrolysates Open
Many thiol-containing molecules show heavy metal complexation ability and are used as antidotes. In this study, the potential function associated with thiol-containing peptides (TCPs) from soy protein hydrolysates as natural detoxicants fo…
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Diglycolamide-functionalized poly(propylene imine) diaminobutane dendrimers for sequestration of trivalent f-elements: synthesis, extraction and complexation Open
Three generations of diglycolamide-functionalized poly(propylene imine)diaminobutane dendrimers were synthesized and evaluated for their complexation ability towards trivalent actinides/lanthanides.
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Highly Stable Silver(I) Complexes with Cyclen-Based Ligands Bearing Sulfide Arms: A Step Toward Silver-111 Labeled Radiopharmaceuticals Open
With a half-life of 7.45 days, silver-111 (βmax 1.04 MeV, Eγ 245.4 keV [Iγ 1.24%], Eγ 342.1 keV [Iγ 6.7%]) is a promising candidate for targeted cancer therapy with β- emitters as well as for associated SPECT imaging. For its clinical use,…