Reactions in detergentless microemulsions: incorporation of copper(II) into meso-tetraphenylporphine ((TPP)H2) in a water/oil microemulsion

Keiser, Bruce; Holt, S. L.

doi:10.1021/ic00136a040

Cited by 17 publications

(6 citation statements)

References 2 publications

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“…Even though surfactantfree microemulsions have been known since the late 1970s, only scarce papers deal with this topic. [5][6][7][8] Here we report for the first time -to the best of the authors' knowledge -a surfactant-free pressurized microemulsion-like system composed of water, acetone and CO 2 showing the capability of solubilizing ibuprofen, a hydro-and CO 2 -phobic compound, which is soluble in CO 2 -expanded acetone. CO 2based microemulsions containing surfactants are known, [9][10][11][12][13] but not surfactant-free ones.…”

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confidence: 80%

Surfactant-free CO₂-based microemulsion-like systems

et al. 2014

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The presence of water-rich and water-lean nanodomains in a transparent, pressurized "water-acetone-CO2" mixture was revealed by Raman spectroscopy. This nano-structured liquid can be classified as a surfactant-free microemulsion-like system and has the capacity to dissolve hydrophobic compounds, such as ibuprofen, in the presence of large amounts of water. This finding opens new opportunities in the fields of confined reactions and material templating.

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confidence: 80%

Surfactant-free CO₂-based microemulsion-like systems

et al. 2014

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“…However, surfactant‐free microemulsion (SFME) can also form via the adoption of a cosolvent, usually alcohol, as a replacement for the surfactant . The SFME have fascinating advantages in many aspects including improved enzymatic activity, increased chemical reaction rate and yield, narrowed nanoparticle distribution, simplified separation and purification procedures, lowered toxicity, and reduced material cost . A stable microemulsion can also form in the total absence of both surfactant and cosolvent.…”

Section: Resultsmentioning

confidence: 99%

Development of Coarse‐Grained Force Field by Combining Multilinear Interpolation Technique and Simplex Algorithm

Wan

Song

et al. 2019

J Comput Chem

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A fast, reasonable, and transferable coarse-grained (CG) molecular dynamics force field (FF) is essential to combine experimental and simulation data. However, the parameterization of CG FF usually requires massive computation, which hinders its rapid development. Here, we presented an efficient optimization protocol by combining multilinear interpolation technique with simplex algorithm. In this preliminary work, taking the experimental properties as the benchmark, we constructed a new set of CG FF for water and n-alkanes by adopting piecewise Morse function to describe the nonbonded interactions. This CG FF has a delicate balance between efficiency, accuracy, and transferability and well reproduced the correct structural and thermodynamics properties of pure water and alkane liquids. More importantly, optimized Morse potential was also successfully applied to describe the interactions between water and n-alkanes. It nicely predicted the phase separation, interface tension, hydration free energy, and formation of microemulsions of water/oil mixtures.

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“…Kinetics and mechanisms for metal ion coordination and the removal from a number of porphyrins in aqueous and nonaqueous media have been extensively investigated. 1 The reactivity in a variety of confined microenvironments, such as micelles 2 and microemulsions, 3 or even nucleic acids or proteins 4 has been explored. On the contrary, the reactivity of porphyrin homoaggregates with metal ions has been the subject of very few studies.…”

Section: Introductionmentioning

confidence: 99%

Mechanism for Copper(II)-Mediated Disaggregation of a Porphyrin J-Aggregate

et al. 2018

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J-aggregates of anionic meso -tetrakis(4-sulfonatophenyl)porphyrin form at intermediate pH (2.3–3.1) in the presence of NiSO 4 or ZnSO 4 (ionic strength, I.S. = 3.2 M). These aggregates convert to monomeric porphyrin units via metallation with copper(II) ions. The kinetics for the disassembly process, as monitored by UV/vis spectroscopy, exhibits zeroth-order behavior. The observed zeroth-order rate constants show a two-term dependence on copper(II) ion concentrations: linear and second order. Also observed is an inverse dependence on hydrogen ion concentration. Activation parameters have been determined for the disassembly process leading to Δ H ≠ = (+163 ± 15) kJ·mol –1 and Δ S ≠ = (+136 ± 11) J·K –1 . A mechanism is proposed in which copper(II) cation is in pre-equilibrium with a reactive site at the rim of the J-aggregate. An intermediate copper species is thus formed that eventually leads to the final metallated porphyrin either through an assisted attack of a second metal ion or through a direct insertion of the metal cation into the macrocycle core.

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Reactions in detergentless microemulsions: incorporation of copper(II) into meso-tetraphenylporphine ((TPP)H2) in a water/oil microemulsion

Cited by 17 publications

References 2 publications

Surfactant-free CO₂-based microemulsion-like systems

Surfactant-free CO₂-based microemulsion-like systems

Development of Coarse‐Grained Force Field by Combining Multilinear Interpolation Technique and Simplex Algorithm

Mechanism for Copper(II)-Mediated Disaggregation of a Porphyrin J-Aggregate

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Reactions in detergentless microemulsions: incorporation of copper(II) into meso-tetraphenylporphine ((TPP)H2) in a water/oil microemulsion

Cited by 17 publications

References 2 publications

Surfactant-free CO2-based microemulsion-like systems

Surfactant-free CO2-based microemulsion-like systems

Development of Coarse‐Grained Force Field by Combining Multilinear Interpolation Technique and Simplex Algorithm

Mechanism for Copper(II)-Mediated Disaggregation of a Porphyrin J-Aggregate

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Surfactant-free CO₂-based microemulsion-like systems

Surfactant-free CO₂-based microemulsion-like systems