Bromocresol purple in the processes of cation-anionic interactions in aqueous solutions: UV–Vis spectroscopy and computer simulation of dissimilar association

2021 ◽  
pp. 120741
Author(s):  
Serghey A. Shapovalov
Keyword(s):  
Computer Simulation ◽  
Aqueous Solutions ◽  
Bromocresol Purple ◽  
Vis Spectroscopy

scholarly journals Cation–Anionic Interactions of Dyes in Aqueous Solutions: Bromocresol Purple in the Processes of Dissimilar Association

Colorants ◽  
2021 ◽  
Vol 1 (1) ◽  
pp. 5-19
Author(s):  
Serghey A. Shapovalov
Keyword(s):  
Aqueous Solutions ◽  
Systematic Error ◽  
Enthalpies Of Formation ◽  
Bromocresol Purple ◽  
Spectroscopy Data ◽  
Thermodynamic Constants ◽  
Vis Spectroscopy ◽  
Standard Enthalpies Of Formation ◽  
Semi Empirical ◽  
Quinaldine Red

The interaction between single- or double-charged anions of bromocresol purple (BP) and cyanine cations (quinaldine blue, QB, or quinaldine red, QR) at concentrations of dyes 5.0·10−7–4.0·10−5 mol/L has been investigated by vis-spectroscopy. The thermodynamic constants of dissimilar associations (Kas) have been studied. Comparison of the values of lg Kas shows that QB− associates of BP− are more stable (6.61 ± 0.07) than QR associates (4.84 ± 0.06); a similar phenomenon is observed for associates of the BP2− anion. Semi-empirical calculations (PM3 method) are in agreement with the vis-spectroscopy data and indicate that the association of dye into an associate is possible. The standard enthalpies of formation of associates (ΔfHo) and energy diagrams have been determined. The ΔfHo data indicate that the formation of an associate between dye ions is an energetically favourable process. The gain in energy significantly exceeds the systematic error of semi-empirical calculations and increases from 157 kJ/mol (associate ”BP− + QB+”) to 729 kJ/mol (associate “BP2− + QR+”). The most probable structures of dissimilar associates are presented. The study of the dissimilar association develops the concept of intermolecular interactions in solutions.

scholarly journals Investigations of ternary complexes of Co(II) and Ni(II) with thiodiacetate anion and 1,10-phenanthroline or 2,2’-bipyridine in aqueous solutions

2014 ◽  
Vol 13 (1) ◽  
Author(s):  
Dariusz Wyrzykowski ◽  
Joanna Pranczk ◽  
Dagmara Jacewicz ◽  
Aleksandra Tesmar ◽  
Bogusław Pilarski ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Substitution Reactions ◽  
Experimental Conditions ◽  
Kinetic Measurements ◽  
Hydroxo Complexes ◽  
Binary Complexes ◽  
Vis Spectroscopy ◽  
Potentiometric Titration Method ◽  
The Stability ◽  
Ph Range

AbstractA potentiometric titration method (PT) and a stopped-flow kinetic technique monitored by a UV−Vis spectroscopy have been used to characterize the stability of series of Co(II)- and Ni(II)-thiodiacetato complexes, M(TDA), in the presence of 1,10-phenanthroline (phen) or 2,2’-bipyridine (bipy) in aqueous solutions. The stability constants of the binary (1:1), ternary (1:1:1) as well as the resulting hydroxo complexes were evaluated and compared to the corresponding oxydiacetate complexes. Based on the species distribution as a function of pH the relative predominance of the species in the system over a pH range was discussed. Furthermore, the kinetic measurements of the substitution reactions of the aqua ligands to phen or bipy in the coordination sphere of the binary complexes M(TDA) were performed in the 288–303 K temperature range, at a constant concentration of phen or bipy and at seven different concentrations of the binary complexes (0.2–0.5 mM). The kinetic stability of the M(TDA) complexes was discussed in relation to the experimental conditions and the kind of the auxiliary ligands (phen/bipy). Moreover, the influence of the type of primary ligand (thiodiacetate/oxydiacetate) on the substitution rate of the auxiliary ligands was also compared.

Aggregation of meso-tetrakis(4-sulfonatophenyl)porphyrin on polyethyleneimine in aqueous solutions and on a glass surface

2002 ◽  
Vol 06 (06) ◽  
pp. 431-438 ◽  
Author(s):  
Maria Angela Castriciano ◽  
Andrea Romeo ◽  
Luigi Monsù Scolaro
Keyword(s):  
Aqueous Solutions ◽  
Fluorescence Emission ◽  
Resonance Light Scattering ◽  
Glass Substrates ◽  
Vis Spectroscopy ◽  
The Matrix ◽  
J Aggregates ◽  
Matrix Concentration ◽  
Glass Surfaces ◽  
Neutral Conditions

The aggregation behavior of meso-tetrakis(4-sulfonatophenyl)porphyrin, [ H 2( TPPS 4)]4-, in the presence of hydrated polyethyleneimine ( PEI ) in aqueous solutions (1.6 < pH < 7.6) has been investigated. The interaction leads to the formation of a variety of pH dependent species, which have been attributed to porphyrin dimers or small oligomers under neutral conditions and J-aggregates on lowering the pH. The aggregation process follows kinetics typical of self-similar systems whose rates increase steeply on increasing the matrix concentration. This finding could be explained on the basis of an increased availability of binding sites for the growing aggregates. The charged polymer has been used to electrostatically adsorb the porphyrin onto glass substrates affording multilayered films. Our results point to the presence of fully protonated species in the solid state, which rearrange into J-aggregates as a function of pH and water content. The systems in solution and on glass surfaces have been investigated through a combination of UV-vis spectroscopy, fluorescence emission and resonance light scattering techniques.

scholarly journals On the Aqueous Solution Behavior of C-Substituted 3,1,2-Ruthenadicarbadodecaboranes

Inorganics ◽  
2019 ◽  
Vol 7 (7) ◽  
pp. 91 ◽  
Author(s):  
Marta Gozzi ◽  
Benedikt Schwarze ◽  
Peter Coburger ◽  
Evamarie Hey-Hawkins
Keyword(s):  
Aqueous Solution ◽  
Aqueous Solutions ◽  
Self Assembly ◽  
Self Assembling ◽  
Vis Spectroscopy ◽  
Assembly Behavior ◽  
Biological Performance ◽  
Type 3

3,1,2-Ruthenadicarbadodecaborane complexes bearing the [C2B9H11]2− (dicarbollide) ligand are robust scaffolds, with exceptional thermal and chemical stability. Our previous work has shown that these complexes possess promising anti-tumor activities in vitro, and tend to form aggregates (or self-assemblies) in aqueous solutions. Here, we report on the synthesis and characterization of four ruthenium(II) complexes of the type [3-(η6-arene)-1,2-R2-3,1,2-RuC2B9H9], bearing either non-polar (R = Me (2–4)) or polar (R = CO2Me (7)) substituents at the cluster carbon atoms. The behavior in aqueous solution of complexes 2, 7 and the parent unsubstituted [3-(η6-p-cymene)-3,1,2-RuC2B9H11] (8) was investigated via UV-Vis spectroscopy, mass spectrometry and nanoparticle tracking analysis (NTA). All complexes showed spontaneous formation of self-assemblies (108–109 particles mL−1), at low micromolar concentration, with high polydispersity. For perspective applications in medicine, there is thus a strong need for further characterization of the spontaneous self-assembly behavior in aqueous solutions for the class of neutral metallacarboranes, with the ultimate scope of finding the optimal conditions for exploiting this self-assembling behavior for improved biological performance.

scholarly journals Computer Simulation of Amino Acid Oligomerization in Aqueous Solutions Induced by Condensing Agent

2015 ◽  
Vol 2015 ◽  
pp. 1-6
Author(s):  
Maxim Lubov ◽  
Yuri Trushin ◽  
Igor Eliseev ◽  
Ivan Terterov ◽  
Michael Dubina
Keyword(s):  
Experimental Data ◽  
Computer Simulation ◽  
Amino Acid ◽  
Aqueous Solutions ◽  
Metal Ions ◽  
Growth Model ◽  
Physical Features ◽  
Attachment Energy

Physical features of the amino acid oligomerization were studied. Growth model of the L-Glu monomer chain induced by the condensing agent in the aqueous solutions with and without metal ions was proposed. Computer simulation of oligomerization process was conducted and from the comparison of the calculated and experimental data attachment energy of the Leuchs anhydride of L-Glu to the oligomer was estimated.

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