Investigating the Coordination/Binding Events of Biologically Relevant Monosaccharides with New Mononuclear Iron(III) and Zinc(II) Complexes in Aqueous Solution

2017 ◽  
Vol 2 (9) ◽  
pp. 2847-2857 ◽  
Author(s):  
Gopal C. Giri ◽  
Shobhraj Haldar ◽  
Gonela Vijaykumar ◽  
Manindranath Bera
Keyword(s):  
Aqueous Solution ◽  
Biologically Relevant ◽  
Mononuclear Iron

scholarly journals Donor Atom Preference of Organoruthenium and Organorhodium Cations on the Interaction with Novel Ambidentate (N,N) and (O,O) Chelating Ligands in Aqueous Solution

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3586
Author(s):  
Sándor Nagy ◽  
András Ozsváth ◽  
Attila Cs. Bényei ◽  
Etelka Farkas ◽  
Péter Buglyó
Keyword(s):  
Aqueous Solution ◽  
Metal Ion ◽  
Platinum Group Metal ◽  
Molecular Structures ◽  
Chelating Ligands ◽  
Metal Ion Binding ◽  
Biologically Relevant ◽  
X Ray Crystallography ◽  
Ligand Ratio ◽  
Ph Range

Two novel, pyridinone-based chelating ligands containing separated (O,O) and (Namino,Nhet) chelating sets (Namino = secondary amine; Nhet = pyrrole N for H(L3) (1-(3-(((1H-pyrrole-2-yl)methyl)amino)propyl)-3-hydroxy-2-methylpyridin-4(1H)-one) or pyridine N for H(L5) (3-hydroxy-2-methyl-1-(3-((pyridin-2-ylmethyl)amino)propyl)pyridin-4(1H)-one)) were synthesized via reduction of the appropriate imines. Their proton dissociation processes were explored, and the molecular structures of two synthons were assessed by X-ray crystallography. These ambidentate chelating ligands are intended to develop Co(III)/PGM (PGM = platinum group metal) heterobimetallic multitargeted complexes with anticancer potential. To explore their metal ion binding ability, the interaction with Pd(II), [(η6-p-cym)Ru]2+ and [(η5-Cp*)Rh]2+ (p-cym = 1-methyl-4-isopropylbenzene, Cp* = pentamethyl-cyclopentadienyl anion) cations was studied in aqueous solution with the combined use of pH-potentiometry, NMR and HR ESI-MS. In general, organorhodium was found to form more labile complexes over ruthenium, while complexation of the (N,N) chelating set was slower than the processes of the pyridinone unit with (O,O) coordination. Formation of the organoruthenium complexes starts at lower pH (higher thermodynamic stabilities of the corresponding complexes) than for [(η5-Cp*)Rh]2+ but, due to the higher affinity of [η6-p-cym)Ru]2+ towards hydrolysis, the complexed ligands are capable of competing with hydroxide ion in a lesser extent than for the rhodium systems. As a result, under biologically relevant conditions, the rhodium binding effectivity of the ligands becomes comparable or even slightly higher than their effectivity towards ruthenium. Our results indicate that H(L3) is a less efficient (N,N) chelator for these metal ions than H(L5). Similarly, due to the relative effectivity of the (O,O) and (N,N) chelates at a 1:1 metal-ion-to-ligand ratio, H(L5) coordinates in a (N,N) manner to both cations in the whole pH range studied while, for H(L3), the complexation starts with (O,O) coordination. At a 2:1 metal-ion-to-ligand ratio, H(L3) cannot hinder the intensive hydrolysis of the second metal ion, although a small amount of 2:1 complex with [(η5-Cp*)Rh]2+ can also be detected.

scholarly journals Water-structuring molecules and nanomaterials enhance radiofrequency heating in biologically relevant solutions

2016 ◽  
Vol 52 (85) ◽  
pp. 12630-12633 ◽  
Author(s):  
Nadia C. Lara ◽  
Asad A. Haider ◽  
Jason C. Ho ◽  
Lon J. Wilson ◽  
Andrew R. Barron ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Electric Fields ◽  
Biologically Relevant ◽  
Water Structuring ◽  
Radiofrequency Heating ◽  
Potential Applications ◽  
Cancer Hyperthermia

For potential applications in nano-mediated radiofrequency cancer hyperthermia, the nanomaterial under investigation must increase the heating of any aqueous solution in which it is suspended when exposed to radiofrequency electric fields.

1,8-Naphthyridine Modified Rhodamine B Derivatives: Turn-On Colorimetric Sensor for Cu2+

2014 ◽  
Vol 881-883 ◽  
pp. 1079-1082 ◽  
Author(s):  
Gao Zhang Gou ◽  
He Ping Yan ◽  
Shi Juan Xu ◽  
Na Wu ◽  
Bo Zhou ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Complex Formation ◽  
Metal Complex ◽  
Rhodamine B ◽  
Ring Opening ◽  
High Selectivity ◽  
Colour Change ◽  
Detection Mechanism ◽  
Biologically Relevant ◽  
Turn On

A 1,8-naphthyridine modified rhodamine B derivative, one Cu2+-selective chemosensors was designed, synthesized and characterized, which display a high selectivity for Cu2+among environmentally and biologically relevant metal ions. It can detect Cu2+in aqueous solution selectively with a dramatic colour change from colorless to magenta. The detection mechanism involves a ring-opening process as a consequence of metal complex formation. Jobs plots study indicated that the chemosensor chelated Cu2+with 2:1 stoichiometry.

scholarly journals Catalytic radical reduction in aqueous solution via oxidation of biologically-relevant alcohols

2016 ◽  
Vol 7 (7) ◽  
pp. 4052-4058 ◽  
Author(s):  
Yamin Htet ◽  
Andrew G. Tennyson
Keyword(s):  
Aqueous Solution ◽  
Amino Acids ◽  
Citric Acid ◽  
Citric Acid Cycle ◽  
Acid Cycle ◽  
Biologically Relevant ◽  
Radical Reduction

An organoruthenium complex catalyzed radical reduction in aqueous solution via oxidation of amino acids, sugars, or citric acid cycle metabolites.

First Principles Simulations of Glucose in Aqueous Solution

1997 ◽  
Vol 489 ◽  
Author(s):  
C. Molteni ◽  
M. Parrinello
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Molecular Dynamics Simulations ◽  
First Principles ◽  
Water Structure ◽  
Microscopic Description ◽  
Biologically Relevant ◽  
Dynamics Simulations ◽  
First Principles Molecular Dynamics

AbstractWe present an application of first principles molecular dynamics simulations, based on the Car-Parrinello method, to the study of the properties of glucose in aqueous solution. By treating both solute and solvent quantum-mechanically, we provide a reliable description of the hydrogen bonds, which determine the water structure around the glucose. These results show the power of our technique in describing biologically relevant problems, where an accurate microscopic description is essential.

scholarly journals Study on the reactions between dichlorido[2,2′:6′,2″-terpyridine] zinc(II) and biologically relevant nucleophiles in aqueous solution

2019 ◽  
Vol 44 (2) ◽  
pp. 105-113 ◽  
Author(s):  
Enisa Selimović ◽  
Tanja Soldatović
Keyword(s):  
Aqueous Solution ◽  
Nucleophilic Substitution ◽  
Order Conditions ◽  
Reaction Pathways ◽  
Reaction Step ◽  
Substitution Reactions ◽  
Biologically Relevant ◽  
First Order ◽  
Pseudo First Order

Substitution reactions of square-pyramidal [ZnCl2(terpy)] complex (terpy = 2,2′:6′,2″-terpyridine) with biologically relevant nucleophiles such as imidazole, glutathione, 1,2,4-triazole, and pyrazine were investigated at pH 7.0 as a function of nucleophile concentration. The reactions were followed under pseudo first-order conditions by UV-Vis spectrophotometry. The substitution reactions comprised two steps of consecutive displacement of chlorido ligands. Different reaction pathways for the first reaction step of nucleophilic substitution were defined. The order of reactivity of the investigated nucleophiles for the first reaction was imidazole > glutathione > pyrazine > 1,2,4-triazole, while for the second reaction step it was pyrazine > 1,2,4-triazole > imidazole > glutathione.

scholarly journals Supramolecular Encapsulation of Vitamin B6by Macrocyclic Nanocontainer Cucurbit[7]uril

2015 ◽  
Vol 2015 ◽  
pp. 1-6 ◽  
Author(s):  
Wanying Li ◽  
Shengke Li ◽  
Ian W. Wyman ◽  
Donal H. Macartney ◽  
Qingwen Zhang ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Molecular Modeling ◽  
Vitamin B ◽  
Pyridoxine Hydrochloride ◽  
Biologically Relevant ◽  
H Nmr ◽  
Molecular Container ◽  
Uv Visible ◽  
The Stability ◽  
First Time

A pharmaceutically and biologically relevant molecule, pyridoxine hydrochloride (vitamin B6), was encapsulated inside the cavity of a molecular container, cucurbit[7]uril (CB[7]), in aqueous solution. The CB[7] based “nanocapsule” of vitamin B6has been investigated for the first time, via1H NMR and UV-visible spectroscopic titrations (including Job’s plot) andab initiomolecular modeling. The results have demonstrated that vitamin B6forms stable host-guest complexes within CB[7] in 1 : 1 stoichiometry, with a binding affinity of(4.0±0.5)×103 M−1. Such a nanocapsule could potentially find application in vitamin B6formulation for the purpose of enhancing the stability, absorption, and delivery of this important vitamin.

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